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Carbon-24_clean

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Carbon-24
C-102885-9341-29
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4265] _cell_length_b [2.4265] _cell_length_c [8.1938] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [41.7793] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.1658 1.0 ]
Carbon-24
C-134177-945-54
C
data_[C32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.7038] _cell_length_b [4.2170] _cell_length_c [4.9783] _cell_angle_alpha [90.0000] _cell_angle_beta [105.5393] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [196.2731] _cell_formula_units_Z [32] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0206 0.3406 0.3938 1.0 C C1 4 0.0356 0.1611 0.9297 1.0 C C2 4 0.1566 0.1795 0.4753 1.0 C C3 4 0.1824 0.3189 0.9981 1.0 C C4 4 0.2504 0.1829 0.7814 1.0 C C5 4 0.2560 0.1840 0.2824 1.0 C C6 4 0.3959 0.3190 0.4480 1.0 C C7 4 0.4072 0.1837 0.7530 1.0 ]
Carbon-24
C-76054-3397-24
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8430] _cell_length_b [2.5549] _cell_length_c [4.5755] _cell_angle_alpha [90.0000] _cell_angle_beta [104.4659] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [100.0959] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0361 0.5000 0.3867 1.0 C C1 4 0.0469 0.5000 0.9044 1.0 C C2 4 0.2100 0.5000 0.4138 1.0 C C3 4 0.2130 0.5000 0.0501 1.0 ]
Carbon-24
C-53832-8784-20
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a [2.4511] _cell_length_b [12.5932] _cell_length_c [5.6836] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [35] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [175.4358] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.0642 0.2511 1.0 C C1 4 0.0000 0.1059 0.9930 1.0 C C2 4 0.0000 0.2240 0.9586 1.0 C C3 4 0.0000 0.2769 0.4077 1.0 C C4 4 0.0000 0.3929 0.3870 1.0 C C5 4 0.0000 0.4389 0.8772 1.0 C C6 4 0.0000 0.4470 0.6104 1.0 ]
Carbon-24
C-177236-5768-52
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.0173] _cell_length_b [2.4300] _cell_length_c [6.9128] _cell_angle_alpha [90.0000] _cell_angle_beta [97.4504] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [83.5708] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0692 0.5000 0.9165 1.0 C C1 2 0.1383 0.0000 0.8376 1.0 C C2 2 0.1509 0.5000 0.5248 1.0 C C3 2 0.2447 0.0000 0.6488 1.0 C C4 2 0.3214 0.5000 0.3572 1.0 C C5 2 0.4509 0.0000 0.3280 1.0 ]
Carbon-24
C-96698-840-22
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.8894] _cell_length_b [3.9417] _cell_length_c [4.2356] _cell_angle_alpha [66.2646] _cell_angle_beta [84.1929] _cell_angle_gamma [69.9205] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [55.7784] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0789 0.9502 0.8540 1.0 C C1 2 0.1421 0.2918 0.5511 1.0 C C2 2 0.2394 0.1271 0.2663 1.0 C C3 2 0.4830 0.6925 0.9902 1.0 C C4 2 0.4837 0.3119 0.6447 1.0 ]
Carbon-24
C-41273-2006-45
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3516] _cell_length_b [2.4569] _cell_length_c [5.3549] _cell_angle_alpha [90.0000] _cell_angle_beta [100.0302] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.2850] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1152 0.0000 0.5323 1.0 C C1 4 0.2197 0.5000 0.6604 1.0 C C2 4 0.2469 0.5000 0.9370 1.0 ]
Carbon-24
C-9599-351-15
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.8758] _cell_length_b [2.4746] _cell_length_c [3.6907] _cell_angle_alpha [90.0000] _cell_angle_beta [101.2220] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [106.3874] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0538 0.5000 0.0943 1.0 C C1 4 0.1209 0.0000 0.1685 1.0 C C2 4 0.2132 0.0000 0.5228 1.0 C C3 4 0.2146 0.0000 0.9311 1.0 ]
Carbon-24
C-53836-3159-26
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.4793] _cell_length_b [11.1965] _cell_length_c [2.5638] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [71.1705] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.1314 0.5000 1.0 C C1 4 0.0000 0.2107 0.0000 1.0 C C2 4 0.0000 0.4418 0.5000 1.0 ]
Carbon-24
C-27821-4829-2
C
data_[C22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4382] _cell_length_b [8.0137] _cell_length_c [8.3498] _cell_angle_alpha [62.3802] _cell_angle_beta [86.8751] _cell_angle_gamma [89.1497] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C22]' _cell_volume [144.3282] _cell_formula_units_Z [22] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0000 0.5838 0.1235 1.0 C C1 2 0.0047 0.5593 0.6793 1.0 C C2 2 0.0370 0.7872 0.1124 1.0 C C3 2 0.0413 0.7474 0.3063 1.0 C C4 2 0.1655 0.9198 0.7377 1.0 C C5 2 0.2334 0.9787 0.5473 1.0 C C6 2 0.3594 0.0959 0.1734 1.0 C C7 2 0.4559 0.1041 0.9896 1.0 C C8 2 0.4714 0.2856 0.6019 1.0 C C9 2 0.4858 0.3788 0.4107 1.0 C C10 2 0.4884 0.4514 0.9543 1.0 ]
Carbon-24
C-40118-1783-41
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.3402] _cell_length_b [3.7714] _cell_length_c [4.9972] _cell_angle_alpha [90.3214] _cell_angle_beta [95.9735] _cell_angle_gamma [106.7020] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [59.9244] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1075 0.5720 0.3823 1.0 C C1 2 0.1434 0.1602 0.7436 1.0 C C2 2 0.1838 0.2267 0.2631 1.0 C C3 2 0.3582 0.3339 0.0059 1.0 C C4 2 0.4600 0.1752 0.5228 1.0 ]
Carbon-24
C-47654-5863-27
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4467] _cell_length_b [5.7026] _cell_length_c [6.3195] _cell_angle_alpha [67.5558] _cell_angle_beta [81.4249] _cell_angle_gamma [85.1066] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [80.5449] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0199 0.7422 0.8617 1.0 C C1 1 0.1602 0.7071 0.6647 1.0 C C2 1 0.3085 0.3098 0.2731 1.0 C C3 1 0.3201 0.2288 0.8169 1.0 C C4 1 0.3357 0.5824 0.2455 1.0 C C5 1 0.3567 0.0021 0.0282 1.0 C C6 1 0.4554 0.7583 0.9832 1.0 C C7 1 0.7249 0.6222 0.5820 1.0 C C8 1 0.7941 0.6823 0.3281 1.0 C C9 1 0.8110 0.3402 0.7282 1.0 C C10 1 0.8165 0.1915 0.2642 1.0 C C11 1 0.8173 0.9768 0.1785 1.0 ]
Carbon-24
C-134164-924-24
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4255] _cell_length_b [5.6211] _cell_length_c [6.2982] _cell_angle_alpha [79.8041] _cell_angle_beta [79.4948] _cell_angle_gamma [79.0648] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.9891] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0319 0.1506 0.4812 1.0 C C1 1 0.1952 0.2750 0.0265 1.0 C C2 1 0.2508 0.5322 0.6397 1.0 C C3 1 0.3081 0.2855 0.7855 1.0 C C4 1 0.3640 0.7274 0.1962 1.0 C C5 1 0.4228 0.8275 0.9735 1.0 C C6 1 0.5765 0.1744 0.3691 1.0 C C7 1 0.6537 0.2469 0.1384 1.0 C C8 1 0.7675 0.6020 0.5341 1.0 C C9 1 0.8266 0.6961 0.3102 1.0 C C10 1 0.9049 0.1426 0.7221 1.0 C C11 1 0.9413 0.8977 0.8678 1.0 ]
Carbon-24
C-41312-2882-48
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [3.6219] _cell_length_b [8.9125] _cell_length_c [2.7503] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [88.7810] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1908 0.3269 0.5000 1.0 C C1 4 0.0000 0.0775 0.5000 1.0 ]
Carbon-24
C-102875-8418-42
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.2331] _cell_length_b [2.4840] _cell_length_c [5.2284] _cell_angle_alpha [90.0000] _cell_angle_beta [99.3438] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.6917] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0265 0.5000 0.1437 1.0 C C1 4 0.1010 0.0000 0.5287 1.0 C C2 4 0.1383 0.0000 0.2495 1.0 C C3 4 0.1482 0.5000 0.6938 1.0 ]
Carbon-24
C-96680-6628-31
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.5125] _cell_length_b [4.1086] _cell_length_c [6.8495] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [71] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.7072] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.3156 0.3060 1.0 C C1 4 0.0000 0.1659 0.5000 1.0 ]
Carbon-24
C-145298-5550-45
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.2118] _cell_length_b [2.4219] _cell_length_c [3.0457] _cell_angle_alpha [90.0000] _cell_angle_beta [112.8817] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.6233] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1662 0.5000 0.9996 1.0 ]
Carbon-24
C-193938-7314-8
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.9825] _cell_length_b [4.2435] _cell_length_c [3.6227] _cell_angle_alpha [90.0000] _cell_angle_beta [109.0716] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.3908] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1070 0.3191 0.3815 1.0 C C1 4 0.0000 0.1579 0.0000 1.0 ]
Carbon-24
C-193915-3332-4
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.2988] _cell_length_b [2.4429] _cell_length_c [5.4918] _cell_angle_alpha [90.0000] _cell_angle_beta [110.2477] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [117.0428] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0587 0.5000 0.8621 1.0 C C1 2 0.0930 0.0000 0.4913 1.0 C C2 2 0.1405 0.5000 0.6698 1.0 C C3 2 0.1649 0.5000 0.1310 1.0 C C4 2 0.1792 0.0000 0.3057 1.0 C C5 2 0.3146 0.5000 0.8293 1.0 C C6 2 0.3187 0.5000 0.0980 1.0 C C7 2 0.3530 0.0000 0.4680 1.0 C C8 2 0.3903 0.0000 0.7557 1.0 C C9 2 0.4187 0.5000 0.3756 1.0 ]
Carbon-24
C-102891-3492-38
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.8205] _cell_length_b [7.8057] _cell_length_c [2.4543] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [130.6663] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1165 0.4450 0.2500 1.0 C C1 8 0.2294 0.2867 0.2500 1.0 ]
Carbon-24
C-141055-6281-54
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [11.4695] _cell_length_b [2.4796] _cell_length_c [7.6053] _cell_angle_alpha [90.0000] _cell_angle_beta [126.5654] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [173.7242] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0490 0.0000 0.9209 1.0 C C1 2 0.0666 0.0000 0.7309 1.0 C C2 2 0.1123 0.5000 0.2306 1.0 C C3 2 0.1310 0.5000 0.0510 1.0 C C4 2 0.1590 0.5000 0.7842 1.0 C C5 2 0.1760 0.0000 0.3603 1.0 C C6 2 0.2443 0.0000 0.5948 1.0 C C7 2 0.2612 0.5000 0.7150 1.0 C C8 2 0.2620 0.5000 0.0582 1.0 C C9 2 0.3391 0.0000 0.4945 1.0 C C10 2 0.3462 0.0000 0.1286 1.0 C C11 2 0.4144 0.5000 0.5302 1.0 C C12 2 0.4178 0.5000 0.9271 1.0 C C13 2 0.4444 0.0000 0.0656 1.0 ]
Carbon-24
C-102899-3014-49
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.5852] _cell_length_b [4.2474] _cell_length_c [4.6136] _cell_angle_alpha [81.7626] _cell_angle_beta [79.4900] _cell_angle_gamma [75.6560] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [47.9997] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0927 0.3162 0.0310 1.0 C C1 2 0.3015 0.1604 0.7556 1.0 C C2 2 0.3928 0.8029 0.7848 1.0 C C3 2 0.4864 0.3362 0.5018 1.0 ]
Carbon-24
C-152599-7664-20
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.5140] _cell_length_b [4.6793] _cell_length_c [5.0379] _cell_angle_alpha [86.2633] _cell_angle_beta [88.1014] _cell_angle_gamma [77.1072] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [57.6361] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0696 0.3769 0.3281 1.0 C C1 1 0.0861 0.2610 0.6219 1.0 C C2 1 0.0929 0.9314 0.5986 1.0 C C3 1 0.2202 0.0988 0.1722 1.0 C C4 1 0.2970 0.8429 0.3640 1.0 C C5 1 0.4875 0.6138 0.9334 1.0 C C6 1 0.4908 0.5544 0.2462 1.0 C C7 1 0.5794 0.3259 0.7885 1.0 C C8 1 0.7329 0.0803 0.0044 1.0 C C9 1 0.9315 0.7971 0.8593 1.0 ]
Carbon-24
C-96682-5217-3
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.9801] _cell_length_b [4.2375] _cell_length_c [3.6305] _cell_angle_alpha [90.0000] _cell_angle_beta [109.1778] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.3637] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1061 0.8195 0.8815 1.0 C C1 4 0.0000 0.3413 0.5000 1.0 ]
Carbon-24
C-90821-8000-23
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.0213] _cell_length_b [2.4853] _cell_length_c [4.0836] _cell_angle_alpha [90.0000] _cell_angle_beta [96.9144] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.8891] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0563 0.5000 0.3781 1.0 C C1 4 0.0577 0.0000 0.1523 1.0 C C2 4 0.2133 0.5000 0.5595 1.0 C C3 4 0.2285 0.0000 0.0848 1.0 ]
Carbon-24
C-107746-1080-36
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.0961] _cell_length_b [2.4314] _cell_length_c [5.9657] _cell_angle_alpha [90.0000] _cell_angle_beta [128.8054] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [91.5121] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0377 0.5000 0.2847 1.0 C C1 4 0.0760 0.0000 0.4682 1.0 C C2 4 0.1893 0.5000 0.9967 1.0 C C3 4 0.2060 0.5000 0.2561 1.0 ]
Carbon-24
C-47660-7998-44
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.0672] _cell_length_b [4.2306] _cell_length_c [4.8362] _cell_angle_alpha [90.0000] _cell_angle_beta [106.8309] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.2343] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1604 0.1812 0.0869 1.0 C C1 8 0.2224 0.3357 0.3722 1.0 ]
Carbon-24
C-13915-4927-50
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.4796] _cell_length_b [11.2250] _cell_length_c [2.5367] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.6055] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.0601 0.0000 1.0 C C1 4 0.0000 0.2891 0.5000 1.0 C C2 4 0.0000 0.3696 0.0000 1.0 ]
Carbon-24
C-50249-759-12
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4688] _cell_length_b [4.3404] _cell_length_c [11.8214] _cell_angle_alpha [97.0306] _cell_angle_beta [93.0987] _cell_angle_gamma [90.0433] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [125.5330] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0684 0.8585 0.9990 1.0 C C1 1 0.0822 0.2583 0.1776 1.0 C C2 1 0.0903 0.9029 0.1369 1.0 C C3 1 0.1214 0.4686 0.3024 1.0 C C4 1 0.1441 0.0613 0.4063 1.0 C C5 1 0.1525 0.3973 0.4299 1.0 C C6 1 0.2127 0.8853 0.7753 1.0 C C7 1 0.2165 0.6697 0.6641 1.0 C C8 1 0.2806 0.5384 0.7782 1.0 C C9 1 0.5195 0.3555 0.0012 1.0 C C10 1 0.5628 0.3952 0.1266 1.0 C C11 1 0.5829 0.0177 0.9563 1.0 C C12 1 0.5947 0.7390 0.1729 1.0 C C13 1 0.6210 0.6619 0.2934 1.0 C C14 1 0.6369 0.9282 0.3786 1.0 C C15 1 0.6696 0.5024 0.4912 1.0 C C16 1 0.7010 0.6196 0.6005 1.0 C C17 1 0.7128 0.0460 0.8240 1.0 C C18 1 0.8064 0.4079 0.8255 1.0 C C19 1 0.9861 0.5080 0.9572 1.0 ]
Carbon-24
C-145311-9710-32
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [3.4270] _cell_length_b [3.2648] _cell_length_c [4.7408] _cell_angle_alpha [90.0000] _cell_angle_beta [114.7150] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [14] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [48.1839] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.2339 0.0341 0.0679 1.0 C C1 4 0.4299 0.1861 0.4020 1.0 ]
Carbon-24
C-107756-3646-26
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [2.4786] _cell_length_b [3.9899] _cell_length_c [14.5818] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [44] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [144.2083] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.1823 0.9927 1.0 C C1 4 0.0000 0.1909 0.2827 1.0 C C2 4 0.0000 0.1909 0.7389 1.0 C C3 4 0.0000 0.3085 0.0893 1.0 C C4 4 0.0000 0.3156 0.6398 1.0 C C5 2 0.0000 0.0000 0.3706 1.0 C C6 2 0.0000 0.5000 0.9282 1.0 ]
Carbon-24
C-145335-4867-29
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4229] _cell_length_b [2.4311] _cell_length_c [5.7295] _cell_angle_alpha [83.8909] _cell_angle_beta [78.8947] _cell_angle_gamma [60.1378] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.7174] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0199 0.4347 0.2478 1.0 C C1 2 0.3137 0.8975 0.7521 1.0 ]
Carbon-24
C-193960-2739-37
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9484] _cell_length_b [2.4809] _cell_length_c [4.2211] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8074] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0129] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0174 0.0000 0.1829 1.0 C C1 4 0.0611 0.5000 0.6866 1.0 C C2 4 0.2403 0.0000 0.3898 1.0 ]
Carbon-24
C-172951-5413-50
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.2032] _cell_length_b [4.2218] _cell_length_c [4.5582] _cell_angle_alpha [78.0856] _cell_angle_beta [88.7729] _cell_angle_gamma [61.4647] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [69.2468] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0060 0.3431 0.4421 1.0 C C1 2 0.1013 0.3737 0.1199 1.0 C C2 2 0.3506 0.9815 0.5937 1.0 C C3 2 0.3507 0.6453 0.5318 1.0 C C4 2 0.4613 0.0949 0.1067 1.0 ]
Carbon-24
C-136204-3885-34
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.8392] _cell_length_b [6.1253] _cell_length_c [2.4270] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.8068] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2043 0.2839 0.2500 1.0 C C1 4 0.0000 0.4280 0.2500 1.0 ]
Carbon-24
C-13673-3188-4
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5160] _cell_length_b [3.5160] _cell_length_c [3.5160] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.4665] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.5000 1.0 ]
Carbon-24
C-145397-8330-4
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.5114] _cell_length_b [4.6187] _cell_length_c [6.3975] _cell_angle_alpha [96.2503] _cell_angle_beta [96.5981] _cell_angle_gamma [103.9809] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.8103] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.1375 0.9489 0.4148 1.0 C C1 1 0.2416 0.2870 0.3883 1.0 C C2 1 0.3646 0.3974 0.6298 1.0 C C3 1 0.4409 0.3273 0.0390 1.0 C C4 1 0.4755 0.6739 0.0818 1.0 C C5 1 0.5462 0.7208 0.7034 1.0 C C6 1 0.5833 0.8488 0.9034 1.0 C C7 1 0.6654 0.9390 0.5536 1.0 C C8 1 0.7409 0.3812 0.2802 1.0 C C9 1 0.8242 0.2425 0.6980 1.0 C C10 1 0.8333 0.1858 0.9283 1.0 C C11 1 0.9949 0.7051 0.2289 1.0 ]
Carbon-24
C-56510-2784-15
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.6255] _cell_length_b [4.8161] _cell_length_c [5.6801] _cell_angle_alpha [87.7266] _cell_angle_beta [87.2045] _cell_angle_gamma [67.8975] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [91.7558] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0083 0.3524 0.7524 1.0 C C1 2 0.0276 0.3394 0.2470 1.0 C C2 2 0.3540 0.6608 0.7525 1.0 C C3 2 0.3733 0.6477 0.2472 1.0 C C4 2 0.4127 0.1614 0.7530 1.0 C C5 2 0.4325 0.1483 0.2470 1.0 ]
Carbon-24
C-50233-3274-32
C
data_[C36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [17.2681] _cell_length_b [2.4812] _cell_length_c [5.4783] _cell_angle_alpha [90.0000] _cell_angle_beta [95.2094] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C36]' _cell_volume [233.7542] _cell_formula_units_Z [36] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0154 0.0000 0.4157 1.0 C C1 2 0.0622 0.5000 0.4452 1.0 C C2 2 0.0752 0.0000 0.8471 1.0 C C3 2 0.0924 0.0000 0.0884 1.0 C C4 2 0.0943 0.5000 0.7166 1.0 C C5 2 0.1151 0.5000 0.2256 1.0 C C6 2 0.1828 0.5000 0.7507 1.0 C C7 2 0.2088 0.5000 0.2654 1.0 C C8 2 0.2212 0.0000 0.8654 1.0 C C9 2 0.2353 0.5000 0.5348 1.0 C C10 2 0.2421 0.0000 0.1475 1.0 C C11 2 0.2742 0.0000 0.6427 1.0 C C12 2 0.3355 0.0000 0.1812 1.0 C C13 2 0.3568 0.5000 0.0534 1.0 C C14 2 0.3611 0.0000 0.6799 1.0 C C15 2 0.3758 0.5000 0.8237 1.0 C C16 2 0.3928 0.0000 0.4273 1.0 C C17 2 0.4390 0.5000 0.4136 1.0 ]
Carbon-24
C-107727-1562-49
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.7678] _cell_length_b [6.8682] _cell_length_c [3.6159] _cell_angle_alpha [90.0000] _cell_angle_beta [121.1105] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [5] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [143.9016] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0103 0.2083 0.3075 1.0 C C1 4 0.0979 0.8037 0.4459 1.0 C C2 4 0.1637 0.0447 0.9946 1.0 C C3 4 0.2245 0.4690 0.2444 1.0 C C4 4 0.2492 0.6268 0.5619 1.0 C C5 2 0.0000 0.3646 0.0000 1.0 C C6 2 0.0000 0.8932 0.0000 1.0 ]
Carbon-24
C-113072-9570-58
C
data_[C32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [15.2194] _cell_length_b [2.4729] _cell_length_c [5.3098] _cell_angle_alpha [90.0000] _cell_angle_beta [98.2271] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [197.7848] _cell_formula_units_Z [32] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0317 0.5000 0.9857 1.0 C C1 2 0.0494 0.5000 0.7157 1.0 C C2 2 0.1043 0.0000 0.7141 1.0 C C3 2 0.1465 0.5000 0.0971 1.0 C C4 2 0.1699 0.0000 0.5306 1.0 C C5 2 0.1703 0.0000 0.9547 1.0 C C6 2 0.1848 0.5000 0.3819 1.0 C C7 2 0.2428 0.0000 0.7678 1.0 C C8 2 0.2922 0.5000 0.4373 1.0 C C9 2 0.2986 0.5000 0.7377 1.0 C C10 2 0.3207 0.0000 0.3262 1.0 C C11 2 0.3533 0.0000 0.1090 1.0 C C12 2 0.3763 0.5000 0.9794 1.0 C C13 2 0.4842 0.5000 0.0553 1.0 C C14 2 0.4915 0.5000 0.3367 1.0 C C15 2 0.4973 0.0000 0.4616 1.0 ]
Carbon-24
C-136229-8372-42
C
data_[C14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4268] _cell_length_b [5.6116] _cell_length_c [7.5097] _cell_angle_alpha [74.0705] _cell_angle_beta [80.7963] _cell_angle_gamma [78.9262] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [95.8872] _cell_formula_units_Z [14] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0275 0.7870 0.6869 1.0 C C1 2 0.0655 0.2124 0.1227 1.0 C C2 2 0.2144 0.3130 0.7328 1.0 C C3 2 0.2738 0.4163 0.5270 1.0 C C4 2 0.3200 0.7200 0.1716 1.0 C C5 2 0.3955 0.7657 0.9748 1.0 C C6 2 0.4181 0.2329 0.4024 1.0 ]
Carbon-24
C-189711-9707-27
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.4696] _cell_length_b [5.9867] _cell_length_c [5.1666] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.3884] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.0000 0.2816 1.0 C C1 4 0.0000 0.1811 0.5000 1.0 C C2 4 0.0000 0.5000 0.1276 1.0 ]
Carbon-24
C-141016-4064-35
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [2.4910] _cell_length_b [6.7399] _cell_length_c [8.3420] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [69] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [140.0541] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 16 0.0000 0.1854 0.0948 1.0 C C1 8 0.0000 0.0000 0.1976 1.0 ]
Carbon-24
C-148236-3608-10
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.9503] _cell_length_b [2.4655] _cell_length_c [7.4683] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9196] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [105.3612] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0525 0.0000 0.1596 1.0 C C1 4 0.1022 0.5000 0.2683 1.0 C C2 4 0.1802 0.0000 0.9982 1.0 C C3 4 0.2186 0.5000 0.4502 1.0 ]
Carbon-24
C-172959-1751-3
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4354] _cell_length_b [6.4549] _cell_length_c [8.8324] _cell_angle_alpha [108.6962] _cell_angle_beta [94.2815] _cell_angle_gamma [100.3418] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [128.0772] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0413 0.4775 0.9050 1.0 C C1 1 0.0957 0.6058 0.0848 1.0 C C2 1 0.1192 0.2370 0.1665 1.0 C C3 1 0.2339 0.3296 0.3338 1.0 C C4 1 0.2765 0.8889 0.4143 1.0 C C5 1 0.2867 0.9005 0.8784 1.0 C C6 1 0.3617 0.0222 0.5822 1.0 C C7 1 0.4415 0.4901 0.6636 1.0 C C8 1 0.4513 0.1414 0.9093 1.0 C C9 1 0.5602 0.5521 0.8390 1.0 C C10 1 0.5767 0.2060 0.0850 1.0 C C11 1 0.6446 0.6797 0.1655 1.0 C C12 1 0.7287 0.8211 0.3315 1.0 C C13 1 0.7294 0.7938 0.8720 1.0 C C14 1 0.7862 0.3813 0.4153 1.0 C C15 1 0.9019 0.4647 0.5828 1.0 C C16 1 0.9098 0.0931 0.6634 1.0 C C17 1 0.9688 0.2165 0.8434 1.0 ]
Carbon-24
C-28230-7089-37
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [2.4911] _cell_length_b [6.7407] _cell_length_c [8.3384] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [69] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [140.0153] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 16 0.0000 0.1845 0.4059 1.0 C C1 8 0.0000 0.0000 0.3031 1.0 ]
Carbon-24
C-57115-1468-23
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.2925] _cell_length_b [5.6836] _cell_length_c [3.7611] _cell_angle_alpha [90.0000] _cell_angle_beta [120.0914] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [116.3838] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0021 0.2311 0.3154 1.0 C C1 4 0.0000 0.3813 0.0000 1.0 C C2 4 0.0005 0.0000 0.1820 1.0 ]
Carbon-24
C-76034-2029-14
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.1851] _cell_length_b [8.6255] _cell_length_c [2.4761] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [89.3825] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1845 0.0897 0.5000 1.0 C C1 8 0.1846 0.3337 0.0000 1.0 ]
Carbon-24
C-73659-6673-41
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [2.4540] _cell_length_b [5.1810] _cell_length_c [5.7119] _cell_angle_alpha [90.0000] _cell_angle_beta [95.9511] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [3] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.2318] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0120 0.4060 0.3799 1.0 C C1 2 0.0806 0.9414 0.1934 1.0 C C2 2 0.2345 0.8898 0.4422 1.0 C C3 2 0.4597 0.1019 0.8684 1.0 C C4 2 0.4985 0.3801 0.7686 1.0 C C5 1 0.0000 0.7327 0.0000 1.0 C C6 1 0.5000 0.5624 0.0000 1.0 ]
Carbon-24
C-157687-9066-12
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [11.9018] _cell_length_b [2.4771] _cell_length_c [4.1438] _cell_angle_alpha [90.0000] _cell_angle_beta [94.5791] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [121.7786] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0531 0.0000 0.0625 1.0 C C1 2 0.0532 0.5000 0.2807 1.0 C C2 2 0.1847 0.5000 0.3222 1.0 C C3 2 0.1892 0.0000 0.1115 1.0 C C4 2 0.2986 0.5000 0.5108 1.0 C C5 2 0.3138 0.0000 0.0218 1.0 C C6 2 0.3465 0.5000 0.8518 1.0 C C7 2 0.3535 0.0000 0.3784 1.0 C C8 2 0.4729 0.5000 0.7626 1.0 C C9 2 0.4737 0.0000 0.5423 1.0 ]
Carbon-24
C-130528-4330-41
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [2.4807] _cell_length_b [3.8448] _cell_length_c [3.7432] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [51] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.7026] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.2500 0.2952 0.8811 1.0 C C1 2 0.2500 0.0000 0.6147 1.0 ]
Carbon-24
C-56483-6668-9
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.4704] _cell_length_b [3.5617] _cell_length_c [6.8788] _cell_angle_alpha [102.2524] _cell_angle_beta [97.9137] _cell_angle_gamma [106.3884] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [77.9253] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0139 0.5634 0.4130 1.0 C C1 2 0.0301 0.0345 0.8988 1.0 C C2 2 0.2657 0.6810 0.7832 1.0 C C3 2 0.3329 0.4338 0.9237 1.0 C C4 2 0.3371 0.9070 0.4122 1.0 C C5 2 0.3494 0.0504 0.2437 1.0 ]
Carbon-24
C-113060-2504-42
C
data_[C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4288] _cell_length_b [2.4269] _cell_length_c [2.9978] _cell_angle_alpha [93.8006] _cell_angle_beta [101.7243] _cell_angle_gamma [119.9554] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.6945] _cell_formula_units_Z [2] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1665 0.3330 0.5001 1.0 ]
Carbon-24
C-106859-2905-58
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4777] _cell_length_b [2.4777] _cell_length_c [18.4470] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [98.0758] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.0413 1.0 C C1 6 0.0000 0.0000 0.1807 1.0 C C2 6 0.0000 0.0000 0.7356 1.0 ]
Carbon-24
C-130561-7361-3
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3298] _cell_length_b [2.4634] _cell_length_c [5.2833] _cell_angle_alpha [90.0000] _cell_angle_beta [93.6809] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.2111] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1133 0.5000 0.5355 1.0 C C1 4 0.2072 0.0000 0.6611 1.0 C C2 4 0.2415 0.0000 0.9370 1.0 ]
Carbon-24
C-92120-3753-32
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9411] _cell_length_b [2.4752] _cell_length_c [4.2488] _cell_angle_alpha [90.0000] _cell_angle_beta [106.0339] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.1555] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0151 0.5000 0.1821 1.0 C C1 4 0.0600 0.0000 0.6865 1.0 C C2 4 0.2382 0.5000 0.3894 1.0 ]
Carbon-24
C-145323-1843-4
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.6409] _cell_length_b [4.9658] _cell_length_c [4.1125] _cell_angle_alpha [90.0000] _cell_angle_beta [106.9104] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.6797] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0944 0.2602 0.3819 1.0 C C1 4 0.0277 0.0000 0.8277 1.0 C C2 4 0.1142 0.5000 0.1684 1.0 ]
Carbon-24
C-90798-810-27
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.7978] _cell_length_b [11.0268] _cell_length_c [2.4465] _cell_angle_alpha [90.0000] _cell_angle_beta [98.1683] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [154.8169] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0778 0.1110 0.7690 1.0 C C1 8 0.2181 0.7751 0.7558 1.0 C C2 4 0.1158 0.5000 0.5647 1.0 C C3 4 0.2404 0.0000 0.8710 1.0 ]
Carbon-24
C-41314-763-48
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.9015] _cell_length_b [6.0547] _cell_length_c [2.4267] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.7105] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2044 0.2833 0.2500 1.0 C C1 4 0.0000 0.4270 0.2500 1.0 ]
Carbon-24
C-193922-5339-44
C
data_[C14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.3046] _cell_length_b [3.3582] _cell_length_c [7.5558] _cell_angle_alpha [77.3388] _cell_angle_beta [89.2485] _cell_angle_gamma [85.9027] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [81.6006] _cell_formula_units_Z [14] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0548 0.4155 0.9334 1.0 C C1 1 0.1405 0.0472 0.4536 1.0 C C2 1 0.1419 0.7445 0.0307 1.0 C C3 1 0.2814 0.7912 0.6355 1.0 C C4 1 0.3028 0.6724 0.2242 1.0 C C5 1 0.4073 0.0652 0.9215 1.0 C C6 1 0.4698 0.2746 0.3342 1.0 C C7 1 0.5511 0.0128 0.7393 1.0 C C8 1 0.6341 0.9842 0.2248 1.0 C C9 1 0.6376 0.4350 0.6356 1.0 C C10 1 0.7787 0.0802 0.0310 1.0 C C11 1 0.8014 0.3864 0.4535 1.0 C C12 1 0.9083 0.6548 0.7436 1.0 C C13 1 0.9691 0.7709 0.3440 1.0 ]
Carbon-24
C-157701-8688-1
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.7636] _cell_length_b [2.4873] _cell_length_c [7.7383] _cell_angle_alpha [90.0000] _cell_angle_beta [111.7485] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [120.9177] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0140 0.5000 0.6052 1.0 C C1 4 0.1197 0.0000 0.0223 1.0 C C2 4 0.1450 0.0000 0.6803 1.0 C C3 4 0.2159 0.5000 0.4374 1.0 C C4 4 0.2483 0.5000 0.1151 1.0 ]
Carbon-24
C-184060-4400-29
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7187] _cell_length_b [7.6380] _cell_length_c [2.4735] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.2564] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2040 0.3059 0.2500 1.0 C C1 4 0.0000 0.0551 0.7500 1.0 ]
Carbon-24
C-34663-3579-13
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [4.2591] _cell_length_b [2.5000] _cell_length_c [4.8371] _cell_angle_alpha [90.0000] _cell_angle_beta [111.3023] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [47.9864] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1688 0.0000 0.8703 1.0 C C1 2 0.2129 0.0000 0.2104 1.0 C C2 2 0.3531 0.5000 0.8442 1.0 C C3 2 0.4175 0.5000 0.3357 1.0 ]
Carbon-24
C-141022-7340-30
C
data_[C56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [4.6696] _cell_length_b [5.7779] _cell_length_c [14.3719] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [69] _chemical_formula_structural [C] _chemical_formula_sum '[C56]' _cell_volume [387.7584] _cell_formula_units_Z [56] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 16 0.0000 0.1332 0.3057 1.0 C C1 16 0.0000 0.2247 0.4020 1.0 C C2 16 0.2500 0.2500 0.0491 1.0 C C3 8 0.2500 0.2500 0.2500 1.0 ]
Carbon-24
C-177248-5809-16
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [2.4651] _cell_length_b [10.9078] _cell_length_c [3.3658] _cell_angle_alpha [90.0000] _cell_angle_beta [101.0406] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [88.8265] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2132 0.1199 0.3663 1.0 C C1 4 0.0000 0.2097 0.0000 1.0 C C2 4 0.2391 0.5000 0.8642 1.0 ]
Carbon-24
C-177276-5156-6
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [2.5399] _cell_length_b [2.4831] _cell_length_c [7.4445] _cell_angle_alpha [90.0000] _cell_angle_beta [99.0702] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [46.3649] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0555 0.0000 0.0888 1.0 C C1 2 0.1132 0.5000 0.1996 1.0 C C2 2 0.2769 0.0000 0.5598 1.0 C C3 2 0.3319 0.5000 0.6784 1.0 ]
Carbon-24
C-40089-3949-25
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [2.5523] _cell_length_b [2.4385] _cell_length_c [6.4459] _cell_angle_alpha [90.0000] _cell_angle_beta [99.2000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [39.6024] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0621 0.5000 0.6107 1.0 C C1 2 0.1227 0.0000 0.7184 1.0 C C2 2 0.2282 0.0000 0.9483 1.0 ]
Carbon-24
C-193960-2739-4
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9466] _cell_length_b [2.4817] _cell_length_c [4.2191] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9409] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9379] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0152 0.0000 0.6823 1.0 C C1 4 0.0604 0.5000 0.1873 1.0 C C2 4 0.2413 0.0000 0.8888 1.0 ]
Carbon-24
C-96709-3568-39
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.0692] _cell_length_b [4.8527] _cell_length_c [5.3583] _cell_angle_alpha [109.0108] _cell_angle_beta [93.8508] _cell_angle_gamma [103.3041] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [72.5478] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0043 0.1475 0.9983 1.0 C C1 2 0.2409 0.3639 0.2419 1.0 C C2 2 0.2490 0.8836 0.2416 1.0 C C3 2 0.3507 0.6768 0.3544 1.0 C C4 2 0.3953 0.1962 0.3900 1.0 ]
Carbon-24
C-149296-6807-35
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4832] _cell_length_b [6.4114] _cell_length_c [7.0665] _cell_angle_alpha [72.8802] _cell_angle_beta [84.9805] _cell_angle_gamma [79.5513] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [105.6678] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0143 0.8405 0.1301 1.0 C C1 1 0.0722 0.0241 0.7346 1.0 C C2 1 0.1227 0.0232 0.5125 1.0 C C3 1 0.1866 0.7801 0.8061 1.0 C C4 1 0.1895 0.6603 0.0251 1.0 C C5 1 0.4034 0.5948 0.4024 1.0 C C6 1 0.4126 0.3244 0.8579 1.0 C C7 1 0.4352 0.2029 0.0883 1.0 C C8 1 0.4374 0.3793 0.4205 1.0 C C9 1 0.4864 0.9783 0.0564 1.0 C C10 1 0.5116 0.0971 0.8191 1.0 C C11 1 0.7102 0.8802 0.5025 1.0 C C12 1 0.7412 0.7106 0.7160 1.0 C C13 1 0.7663 0.5201 0.0382 1.0 C C14 1 0.8477 0.4644 0.8302 1.0 C C15 1 0.8688 0.7337 0.3609 1.0 C C16 1 0.8952 0.2848 0.1669 1.0 C C17 1 0.9821 0.2620 0.3873 1.0 ]
Carbon-24
C-177233-8452-58
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.2754] _cell_length_b [3.5622] _cell_length_c [4.8645] _cell_angle_alpha [99.8667] _cell_angle_beta [108.8818] _cell_angle_gamma [103.5981] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [50.2718] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0563 0.8492 0.7555 1.0 C C1 2 0.1898 0.5934 0.9537 1.0 C C2 2 0.3337 0.3300 0.4961 1.0 C C3 2 0.3471 0.2486 0.7883 1.0 ]
Carbon-24
C-134171-9685-44
C
data_[C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4233] _cell_length_b [2.4257] _cell_length_c [2.9826] _cell_angle_alpha [72.3066] _cell_angle_beta [86.5768] _cell_angle_gamma [60.0616] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.3843] _cell_formula_units_Z [2] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1662 0.1670 0.4993 1.0 ]
Carbon-24
C-141051-6029-30
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.5401] _cell_length_b [2.4430] _cell_length_c [5.4167] _cell_angle_alpha [90.0000] _cell_angle_beta [102.9943] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [6] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [58.5410] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0212 0.0000 0.8072 1.0 C C1 1 0.0555 0.5000 0.2406 1.0 C C2 1 0.1260 0.5000 0.9801 1.0 C C3 1 0.2240 0.0000 0.3760 1.0 C C4 1 0.2276 0.0000 0.6437 1.0 C C5 1 0.4821 0.5000 0.9915 1.0 C C6 1 0.5081 0.0000 0.8284 1.0 C C7 1 0.5959 0.0000 0.3898 1.0 C C8 1 0.6895 0.5000 0.2528 1.0 C C9 1 0.7184 0.0000 0.6700 1.0 ]
Carbon-24
C-177270-1673-52
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3060] _cell_length_b [4.3060] _cell_length_c [2.4729] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [139] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.8527] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1805 0.8195 0.0000 1.0 ]
Carbon-24
C-130526-2423-34
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_122] _cell_length_a [3.5156] _cell_length_b [3.5156] _cell_length_c [3.3181] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [178] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.5163] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.2320 0.4640 0.7500 1.0 ]
Carbon-24
C-136263-7925-40
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.5681] _cell_length_b [3.8308] _cell_length_c [5.8377] _cell_angle_alpha [73.0617] _cell_angle_beta [74.6996] _cell_angle_gamma [81.6765] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [73.4262] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1179 0.1383 0.2421 1.0 C C1 2 0.1469 0.3492 0.0003 1.0 C C2 2 0.1962 0.6948 0.6090 1.0 C C3 2 0.3235 0.8223 0.3545 1.0 C C4 2 0.3620 0.3794 0.7575 1.0 ]
Carbon-24
C-92138-4782-24
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9484] _cell_length_b [2.4810] _cell_length_c [4.2182] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7669] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9810] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0177 0.0000 0.6826 1.0 C C1 4 0.0606 0.5000 0.1864 1.0 C C2 4 0.2401 0.0000 0.8889 1.0 ]
Carbon-24
C-145366-5636-22
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.3306] _cell_length_b [3.9962] _cell_length_c [8.3827] _cell_angle_alpha [100.1409] _cell_angle_beta [91.8005] _cell_angle_gamma [104.2735] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [106.1111] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0399 0.5574 0.3099 1.0 C C1 1 0.0480 0.4373 0.8762 1.0 C C2 1 0.0812 0.0787 0.0771 1.0 C C3 1 0.0965 0.5293 0.6060 1.0 C C4 1 0.2949 0.1942 0.9372 1.0 C C5 1 0.3659 0.8628 0.3136 1.0 C C6 1 0.3790 0.8165 0.8703 1.0 C C7 1 0.4122 0.7872 0.6911 1.0 C C8 1 0.4455 0.9988 0.1617 1.0 C C9 1 0.6119 0.0813 0.4485 1.0 C C10 1 0.6227 0.0433 0.6162 1.0 C C11 1 0.6661 0.8064 0.0218 1.0 C C12 1 0.7138 0.4479 0.0027 1.0 C C13 1 0.8340 0.3239 0.1573 1.0 C C14 1 0.8904 0.3290 0.7078 1.0 C C15 1 0.9266 0.4012 0.4431 1.0 ]
Carbon-24
C-170350-1491-47
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5163] _cell_length_b [3.5163] _cell_length_c [3.5163] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.4770] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.0000 1.0 ]
Carbon-24
C-56520-4842-14
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4541] _cell_length_b [4.1810] _cell_length_c [7.2442] _cell_angle_alpha [95.2189] _cell_angle_beta [91.9637] _cell_angle_gamma [90.0162] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [73.9789] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.2171 0.1801 0.1586 1.0 C C1 2 0.2273 0.8817 0.2553 1.0 C C2 2 0.2452 0.0601 0.4549 1.0 C C3 2 0.2521 0.4113 0.5238 1.0 C C4 2 0.2724 0.3271 0.7419 1.0 C C5 2 0.2865 0.6536 0.8417 1.0 ]
Carbon-24
C-47623-476-62
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.6937] _cell_length_b [4.1391] _cell_length_c [4.2793] _cell_angle_alpha [86.4564] _cell_angle_beta [71.2123] _cell_angle_gamma [73.1128] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [59.2313] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0002 0.8794 0.6209 1.0 C C1 2 0.1871 0.4083 0.9068 1.0 C C2 2 0.3170 0.5679 0.6155 1.0 C C3 2 0.3177 0.1173 0.0658 1.0 ]
Carbon-24
C-92140-8673-33
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.8992] _cell_length_b [6.0422] _cell_length_c [2.4261] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.4736] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2029 0.2159 0.7500 1.0 C C1 4 0.0000 0.0731 0.7500 1.0 ]
Carbon-24
C-41276-8743-35
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9463] _cell_length_b [2.4799] _cell_length_c [4.2191] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8551] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9143] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0173 0.5000 0.6824 1.0 C C1 4 0.0608 0.0000 0.1865 1.0 C C2 4 0.2400 0.5000 0.8891 1.0 ]
Carbon-24
C-56493-1674-17
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.5928] _cell_length_b [4.2082] _cell_length_c [4.3495] _cell_angle_alpha [101.5164] _cell_angle_beta [111.9470] _cell_angle_gamma [92.6781] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [59.2326] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1435 0.1478 0.2356 1.0 C C1 2 0.1507 0.1427 0.9098 1.0 C C2 2 0.3743 0.3789 0.8507 1.0 C C3 2 0.3807 0.3760 0.5264 1.0 ]
Carbon-24
C-130526-2423-41
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [3.9546] _cell_length_b [2.4868] _cell_length_c [5.9399] _cell_angle_alpha [90.0000] _cell_angle_beta [104.5491] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [56.5432] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1014 0.7500 0.0344 1.0 C C1 2 0.1168 0.7500 0.4971 1.0 C C2 2 0.3061 0.7500 0.2962 1.0 C C3 2 0.4090 0.7500 0.9430 1.0 C C4 2 0.4546 0.7500 0.6978 1.0 ]
Carbon-24
C-126147-4024-4
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.2031] _cell_length_b [2.4273] _cell_length_c [2.9511] _cell_angle_alpha [90.0000] _cell_angle_beta [102.4666] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.3983] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1664 0.0000 0.4999 1.0 ]
Carbon-24
C-106893-7976-22
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [5.0082] _cell_length_b [4.7408] _cell_length_c [6.5251] _cell_angle_alpha [90.0000] _cell_angle_beta [103.6273] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [150.5628] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0607 0.2515 0.1078 1.0 C C1 4 0.3532 0.1658 0.2416 1.0 C C2 4 0.4050 0.3510 0.4318 1.0 C C3 4 0.4480 0.2604 0.6458 1.0 C C4 2 0.1114 0.5000 0.9763 1.0 C C5 2 0.4350 0.5000 0.9829 1.0 C C6 2 0.4693 0.0000 0.7450 1.0 C C7 2 0.4792 0.5000 0.7719 1.0 ]
Carbon-24
C-41300-4225-31
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.8822] _cell_length_b [3.6385] _cell_length_c [4.8133] _cell_angle_alpha [112.0137] _cell_angle_beta [94.9976] _cell_angle_gamma [106.1320] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.9056] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0020 0.9242 0.3457 1.0 C C1 2 0.0043 0.5179 0.1542 1.0 C C2 2 0.0058 0.1382 0.1547 1.0 ]
Carbon-24
C-40116-9251-35
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.4598] _cell_length_b [5.8588] _cell_length_c [9.4245] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [135.8200] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.0000 0.2064 1.0 C C1 4 0.0000 0.0000 0.3513 1.0 C C2 4 0.0000 0.3204 0.0000 1.0 C C3 4 0.0000 0.5000 0.1248 1.0 C C4 4 0.0000 0.5000 0.4274 1.0 ]
Carbon-24
C-53812-2634-35
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.1773] _cell_length_b [3.2973] _cell_length_c [4.8128] _cell_angle_alpha [106.6026] _cell_angle_beta [97.8625] _cell_angle_gamma [111.2359] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.3781] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0174 0.0165 0.1517 1.0 C C1 2 0.3658 0.3656 0.8477 1.0 C C2 2 0.4244 0.4232 0.3465 1.0 ]
Carbon-24
C-113072-9570-64
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.2364] _cell_length_b [2.4849] _cell_length_c [5.2283] _cell_angle_alpha [90.0000] _cell_angle_beta [99.6820] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.6743] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0265 0.0000 0.6436 1.0 C C1 4 0.1006 0.5000 0.0290 1.0 C C2 4 0.1368 0.5000 0.7501 1.0 C C3 4 0.1482 0.0000 0.1938 1.0 ]
Carbon-24
C-76054-3397-8
C
data_[C32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.1352] _cell_length_b [2.4584] _cell_length_c [8.2038] _cell_angle_alpha [90.0000] _cell_angle_beta [101.0817] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [240.1786] _cell_formula_units_Z [32] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0169 0.5000 0.7344 1.0 C C1 2 0.0481 0.5000 0.0614 1.0 C C2 2 0.0680 0.0000 0.9878 1.0 C C3 2 0.0751 0.0000 0.8012 1.0 C C4 2 0.1997 0.0000 0.7897 1.0 C C5 2 0.2283 0.5000 0.5286 1.0 C C6 2 0.2287 0.0000 0.4374 1.0 C C7 2 0.2288 0.5000 0.7072 1.0 C C8 2 0.2586 0.0000 0.9680 1.0 C C9 2 0.2775 0.0000 0.3051 1.0 C C10 2 0.2807 0.5000 0.0485 1.0 C C11 2 0.3136 0.5000 0.2349 1.0 C C12 2 0.3440 0.5000 0.6673 1.0 C C13 2 0.4056 0.0000 0.6842 1.0 C C14 2 0.4363 0.5000 0.2233 1.0 C C15 2 0.4832 0.0000 0.1875 1.0 ]
Carbon-24
C-141065-1801-2
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [2.5118] _cell_length_b [4.1713] _cell_length_c [5.6285] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [25] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [58.9726] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0000 0.1825 0.2171 1.0 C C1 2 0.0000 0.3131 0.7158 1.0 C C2 2 0.0000 0.3396 0.4502 1.0 C C3 2 0.5000 0.1833 0.8337 1.0 C C4 2 0.5000 0.3143 0.0876 1.0 ]
Carbon-24
C-126177-4900-51
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.9850] _cell_length_b [4.2427] _cell_length_c [3.6337] _cell_angle_alpha [90.0000] _cell_angle_beta [109.2435] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.5590] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1068 0.3196 0.3818 1.0 C C1 4 0.0000 0.1594 0.0000 1.0 ]
Carbon-24
C-9601-1359-37
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.2628] _cell_length_b [3.5745] _cell_length_c [4.8568] _cell_angle_alpha [99.8861] _cell_angle_beta [108.6819] _cell_angle_gamma [103.5647] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [50.2548] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1509 0.7544 0.7130 1.0 C C1 2 0.1661 0.6694 0.0038 1.0 C C2 2 0.3095 0.4068 0.5464 1.0 C C3 2 0.4431 0.1504 0.7438 1.0 ]
Carbon-24
C-13675-5908-2
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [8.9143] _cell_length_b [2.4559] _cell_length_c [4.2365] _cell_angle_alpha [90.0000] _cell_angle_beta [107.8932] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [5] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [88.2638] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0252 0.7809 0.3468 1.0 C C1 4 0.0355 0.2509 0.8633 1.0 C C2 4 0.2083 0.9201 0.4060 1.0 C C3 4 0.2112 0.0979 0.0421 1.0 ]
Carbon-24
C-189744-1391-9
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [6.5563] _cell_length_b [2.4482] _cell_length_c [7.6073] _cell_angle_alpha [90.0000] _cell_angle_beta [100.7821] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [119.9476] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0120 0.0000 0.2452 1.0 C C1 2 0.0647 0.5000 0.8156 1.0 C C2 2 0.1019 0.5000 0.6303 1.0 C C3 2 0.1571 0.5000 0.2449 1.0 C C4 2 0.2370 0.0000 0.6337 1.0 C C5 2 0.2719 0.5000 0.9211 1.0 C C6 2 0.3064 0.5000 0.1154 1.0 C C7 2 0.3557 0.0000 0.8350 1.0 C C8 2 0.3660 0.5000 0.3909 1.0 C C9 2 0.3917 0.0000 0.5067 1.0 ]
Carbon-24
C-102871-6259-48
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4585] _cell_length_b [4.5195] _cell_length_c [6.4717] _cell_angle_alpha [101.4887] _cell_angle_beta [96.6506] _cell_angle_gamma [98.7841] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [68.8418] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0008 0.8794 0.2314 1.0 C C1 1 0.1010 0.2742 0.7821 1.0 C C2 1 0.1413 0.9339 0.4665 1.0 C C3 1 0.1686 0.2828 0.5614 1.0 C C4 1 0.2542 0.5364 0.9578 1.0 C C5 1 0.3757 0.8661 0.9125 1.0 C C6 1 0.5080 0.0213 0.1529 1.0 C C7 1 0.6492 0.3491 0.2444 1.0 C C8 1 0.6564 0.4410 0.4803 1.0 C C9 1 0.6847 0.7931 0.5559 1.0 C C10 1 0.8092 0.5549 0.1075 1.0 C C11 1 0.8642 0.9445 0.7968 1.0 ]
Carbon-24
C-90811-1769-44
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.2550] _cell_length_b [4.7222] _cell_length_c [4.9061] _cell_angle_alpha [63.6266] _cell_angle_beta [79.1263] _cell_angle_gamma [87.6072] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.6335] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0801 0.0532 0.5794 1.0 C C1 2 0.0806 0.3672 0.5793 1.0 C C2 2 0.2831 0.3494 0.7873 1.0 C C3 2 0.2861 0.8642 0.7849 1.0 C C4 2 0.3868 0.5542 0.8916 1.0 C C5 2 0.4008 0.0517 0.8968 1.0 ]