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Carbon-24_clean

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Carbon-24
C-92160-9421-19
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 [3.2822] _cell_length_b [3.6421] _cell_length_c [4.1886] _cell_angle_alpha [96.3319] _cell_angle_beta [100.3522] _cell_angle_gamma [114.9144] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.6912] _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 0.1523 0.6349 0.1533 1.0 C C1 2 0.1535 0.0187 0.1556 1.0 C C2 2 0.3434 0.4205 0.3444 1.0 ]
Carbon-24
C-75999-4861-8
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 [2.4271] _cell_length_b [2.4269] _cell_length_c [3.0508] _cell_angle_alpha [76.7886] _cell_angle_beta [70.7423] _cell_angle_gamma [60.1508] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.6687] _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 0.3336 0.8340 0.4997 1.0 ]
Carbon-24
C-136223-1797-41
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 [7.4489] _cell_length_b [2.4840] _cell_length_c [6.8752] _cell_angle_alpha [90.0000] _cell_angle_beta [115.1901] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [115.1126] _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 0.0020 0.0000 0.1094 1.0 C C1 4 0.0561 0.5000 0.6180 1.0 C C2 4 0.0868 0.5000 0.2466 1.0 C C3 4 0.1884 0.0000 0.7069 1.0 C C4 4 0.2058 0.0000 0.9374 1.0 ]
Carbon-24
C-106833-6336-38
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 [P6_3/mmc] _cell_length_a [2.4729] _cell_length_b [2.4729] _cell_length_c [4.1161] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [194] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [21.7980] _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 0.3333 0.6667 0.5630 1.0 ]
Carbon-24
C-90849-4956-27
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 [3.5150] _cell_length_b [3.5150] _cell_length_c [3.5150] _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 [43.4280] _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-34613-7933-19
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 [P6_3/mmc] _cell_length_a [2.4727] _cell_length_b [2.4727] _cell_length_c [4.1176] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [194] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [21.8026] _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 0.3333 0.6667 0.9375 1.0 ]
Carbon-24
C-113034-7981-32
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 [4.1841] _cell_length_b [8.6262] _cell_length_c [2.4755] _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 [89.3457] _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 0.1846 0.3336 0.5000 1.0 C C1 8 0.1852 0.0889 0.0000 1.0 ]
Carbon-24
C-184054-4402-46
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 [6.9468] _cell_length_b [2.4800] _cell_length_c [4.2224] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9106] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9559] _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 0.1827 1.0 C C1 4 0.0622 0.5000 0.6870 1.0 C C2 4 0.2392 0.0000 0.3886 1.0 ]
Carbon-24
C-73649-6461-1
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 [6.9041] _cell_length_b [2.4568] _cell_length_c [6.4042] _cell_angle_alpha [90.0000] _cell_angle_beta [106.3512] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [104.2355] _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 0.0005 0.5000 0.1256 1.0 C C1 4 0.1231 0.0000 0.2119 1.0 C C2 4 0.2204 0.5000 0.9275 1.0 C C3 4 0.2241 0.0000 0.4474 1.0 ]
Carbon-24
C-28258-8310-53
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 [3.6446] _cell_length_b [8.9505] _cell_length_c [2.5745] _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 [83.9828] _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 0.1922 0.1721 0.0000 1.0 C C1 4 0.0000 0.4231 0.0000 1.0 ]
Carbon-24
C-134171-9685-4
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 [Cm] _cell_length_a [4.2085] _cell_length_b [2.4290] _cell_length_c [8.6306] _cell_angle_alpha [90.0000] _cell_angle_beta [102.3835] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.1736] _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 0.0103 0.0000 0.6865 1.0 C C1 2 0.0158 0.5000 0.3530 1.0 C C2 2 0.0709 0.0000 0.0191 1.0 C C3 2 0.1821 0.0000 0.3531 1.0 C C4 2 0.2374 0.5000 0.0191 1.0 C C5 2 0.3434 0.0000 0.6858 1.0 ]
Carbon-24
C-75997-4752-22
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 [3.6670] _cell_length_b [3.7780] _cell_length_c [4.6767] _cell_angle_alpha [72.3779] _cell_angle_beta [89.5601] _cell_angle_gamma [77.5579] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [60.1844] _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 0.0670 0.9319 0.3839 1.0 C C1 2 0.0932 0.9063 0.9055 1.0 C C2 2 0.3760 0.6189 0.3802 1.0 C C3 2 0.3807 0.6137 0.0671 1.0 ]
Carbon-24
C-40095-5757-10
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 [6.3276] _cell_length_b [2.4637] _cell_length_c [5.2879] _cell_angle_alpha [90.0000] _cell_angle_beta [93.5436] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.2753] _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 0.1126 0.5000 0.5357 1.0 C C1 4 0.2063 0.0000 0.6615 1.0 C C2 4 0.2417 0.0000 0.9365 1.0 ]
Carbon-24
C-28242-4049-23
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 [6.9476] _cell_length_b [2.4803] _cell_length_c [4.2196] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8123] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9616] _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 0.0172 0.5000 0.6826 1.0 C C1 4 0.0610 0.0000 0.1864 1.0 C C2 4 0.2404 0.5000 0.8892 1.0 ]
Carbon-24
C-176639-8613-32
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 [2.4494] _cell_length_b [6.1620] _cell_length_c [6.4318] _cell_angle_alpha [95.1875] _cell_angle_beta [90.0571] _cell_angle_gamma [92.5052] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [96.5856] _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 0.0207 0.1917 0.8799 1.0 C C1 2 0.0247 0.2343 0.6567 1.0 C C2 2 0.0317 0.3473 0.2504 1.0 C C3 2 0.0360 0.3984 0.0318 1.0 C C4 2 0.4648 0.6856 0.6524 1.0 C C5 2 0.4738 0.7472 0.4453 1.0 C C6 2 0.4862 0.9224 0.0650 1.0 ]
Carbon-24
C-136227-7658-32
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 [6.9485] _cell_length_b [2.4805] _cell_length_c [4.2184] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7394] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9802] _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 0.0182 0.0000 0.1824 1.0 C C1 4 0.0600 0.5000 0.6864 1.0 C C2 4 0.2409 0.0000 0.3887 1.0 ]
Carbon-24
C-136255-5449-45
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 [4.1967] _cell_length_b [2.4299] _cell_length_c [2.9858] _cell_angle_alpha [90.0000] _cell_angle_beta [106.8405] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.1418] _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 0.1659 0.5000 0.4993 1.0 ]
Carbon-24
C-13665-1988-12
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 [Pmma] _cell_length_a [2.4703] _cell_length_b [2.5019] _cell_length_c [7.7884] _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 '[C8]' _cell_volume [48.1374] _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 0.2500 0.0000 0.0442 1.0 C C1 2 0.2500 0.0000 0.2247 1.0 C C2 2 0.2500 0.0000 0.6733 1.0 C C3 2 0.2500 0.5000 0.5558 1.0 ]
Carbon-24
C-96690-1826-36
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 [2.5094] _cell_length_b [4.3950] _cell_length_c [7.4494] _cell_angle_alpha [92.0858] _cell_angle_beta [94.6450] _cell_angle_gamma [103.1564] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [79.6101] _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 0.0433 0.9319 0.4280 1.0 C C1 1 0.1263 0.2501 0.9920 1.0 C C2 1 0.1934 0.1241 0.7927 1.0 C C3 1 0.1959 0.6051 0.9642 1.0 C C4 1 0.2078 0.2812 0.3827 1.0 C C5 1 0.3754 0.4921 0.5435 1.0 C C6 1 0.3876 0.8095 0.1383 1.0 C C7 1 0.4130 0.4089 0.7093 1.0 C C8 1 0.5329 0.8398 0.5337 1.0 C C9 1 0.5960 0.1626 0.0974 1.0 C C10 1 0.6328 0.9412 0.7399 1.0 C C11 1 0.6454 0.6550 0.8471 1.0 C C12 1 0.7288 0.3636 0.2747 1.0 C C13 1 0.8840 0.7278 0.2465 1.0 ]
Carbon-24
C-142746-5299-35
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 [4.2110] _cell_length_b [2.4250] _cell_length_c [3.0526] _cell_angle_alpha [90.0000] _cell_angle_beta [113.8238] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.5166] _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 0.1665 0.5000 0.9988 1.0 ]
Carbon-24
C-13897-9657-30
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 [3.7223] _cell_length_b [7.6395] _cell_length_c [2.4752] _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 [70.3849] _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 0.8056 0.7500 1.0 C C1 4 0.0000 0.4447 0.7500 1.0 ]
Carbon-24
C-189738-7344-32
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 [12.5850] _cell_length_b [2.4394] _cell_length_c [8.6432] _cell_angle_alpha [90.0000] _cell_angle_beta [133.0703] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [193.8398] _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 0.0159 0.0000 0.5642 1.0 C C1 2 0.0273 0.0000 0.8256 1.0 C C2 2 0.0513 0.0000 0.2655 1.0 C C3 2 0.0696 0.5000 0.5672 1.0 C C4 2 0.0886 0.5000 0.9317 1.0 C C5 2 0.1959 0.0000 0.4918 1.0 C C6 2 0.1999 0.5000 0.5970 1.0 C C7 2 0.2000 0.5000 0.1545 1.0 C C8 2 0.2412 0.0000 0.2613 1.0 C C9 2 0.3148 0.5000 0.8316 1.0 C C10 2 0.3180 0.0000 0.4908 1.0 C C11 2 0.3643 0.0000 0.9406 1.0 C C12 2 0.4120 0.5000 0.5917 1.0 C C13 2 0.4847 0.0000 0.1626 1.0 ]
Carbon-24
C-193932-9509-10
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 [2.4915] _cell_length_b [6.7397] _cell_length_c [8.3438] _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 [140.1054] _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 0.1855 0.4060 1.0 C C1 8 0.0000 0.0000 0.3031 1.0 ]
Carbon-24
C-80150-2770-46
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 [5.7186] _cell_length_b [2.4328] _cell_length_c [8.3831] _cell_angle_alpha [90.0000] _cell_angle_beta [94.0974] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [116.3295] _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 0.0107 0.5000 0.4176 1.0 C C1 4 0.0125 0.5000 0.0837 1.0 C C2 4 0.0167 0.0000 0.3341 1.0 C C3 4 0.0197 0.0000 0.1674 1.0 ]
Carbon-24
C-136387-2750-21
C
data_[C40] 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 [23.8739] _cell_length_b [2.4824] _cell_length_c [3.9545] _cell_angle_alpha [90.0000] _cell_angle_beta [99.3913] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C40]' _cell_volume [231.2173] _cell_formula_units_Z [40] 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 0.0058 0.0000 0.1080 1.0 C C1 2 0.0069 0.5000 0.8863 1.0 C C2 2 0.0734 0.0000 0.1837 1.0 C C3 2 0.0735 0.5000 0.9508 1.0 C C4 2 0.1202 0.0000 0.4947 1.0 C C5 2 0.1202 0.5000 0.7324 1.0 C C6 2 0.1729 0.5000 0.0399 1.0 C C7 2 0.1730 0.0000 0.2904 1.0 C C8 2 0.2257 0.5000 0.8383 1.0 C C9 2 0.2259 0.0000 0.5963 1.0 C C10 2 0.2741 0.5000 0.1467 1.0 C C11 2 0.2748 0.0000 0.3839 1.0 C C12 2 0.3351 0.5000 0.0843 1.0 C C13 2 0.3371 0.0000 0.5665 1.0 C C14 2 0.3541 0.0000 0.9318 1.0 C C15 2 0.3625 0.5000 0.4410 1.0 C C16 2 0.4198 0.0000 0.9973 1.0 C C17 2 0.4275 0.5000 0.5056 1.0 C C18 2 0.4448 0.5000 0.1782 1.0 C C19 2 0.4475 0.0000 0.6891 1.0 ]
Carbon-24
C-102881-6389-31
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 [P1] _cell_length_a [2.5136] _cell_length_b [4.5774] _cell_length_c [6.3922] _cell_angle_alpha [82.0238] _cell_angle_beta [80.3813] _cell_angle_gamma [78.0464] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.5268] _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 0.2041 0.3084 0.4542 1.0 C C1 1 0.2959 0.0136 0.5977 1.0 C C2 1 0.3162 0.5688 0.9799 1.0 C C3 1 0.3604 0.1046 0.8037 1.0 C C4 1 0.3899 0.8967 0.9648 1.0 C C5 1 0.4256 0.4306 0.7688 1.0 C C6 1 0.5216 0.8455 0.1870 1.0 C C7 1 0.7626 0.5199 0.1248 1.0 C C8 1 0.7829 0.2874 0.3158 1.0 C C9 1 0.8756 0.8488 0.5372 1.0 C C10 1 0.9364 0.9417 0.2955 1.0 C C11 1 0.9717 0.5224 0.6273 1.0 ]
Carbon-24
C-189720-7233-18
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 [5.9736] _cell_length_b [2.4723] _cell_length_c [5.1825] _cell_angle_alpha [90.0000] _cell_angle_beta [91.5042] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.5109] _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 0.0034 0.5000 0.8719 1.0 C C1 4 0.0051 0.0000 0.7189 1.0 C C2 4 0.1799 0.0000 0.5006 1.0 ]
Carbon-24
C-41298-1814-21
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 [3.5169] _cell_length_b [3.5169] _cell_length_c [3.3184] _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 [35.5449] _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 0.2319 0.4638 0.2500 1.0 ]
Carbon-24
C-157672-8945-33
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 [3.8270] _cell_length_b [4.2598] _cell_length_c [5.3474] _cell_angle_alpha [77.7721] _cell_angle_beta [83.1641] _cell_angle_gamma [65.9508] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [77.7483] _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 0.0164 0.7425 0.1684 1.0 C C1 2 0.1429 0.4300 0.6013 1.0 C C2 2 0.1550 0.9946 0.2592 1.0 C C3 2 0.2134 0.7045 0.6951 1.0 C C4 2 0.3094 0.1394 0.0188 1.0 C C5 2 0.3128 0.5127 0.9842 1.0 C C6 2 0.4588 0.8444 0.4790 1.0 ]
Carbon-24
C-136204-3885-27
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 [2.4779] _cell_length_b [2.4779] _cell_length_c [18.4393] _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 [98.0450] _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 0.2365 1.0 C C1 6 0.0000 0.0000 0.3185 1.0 C C2 6 0.0000 0.0000 0.4580 1.0 ]
Carbon-24
C-157701-8688-48
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 [4.2035] _cell_length_b [2.4328] _cell_length_c [3.3352] _cell_angle_alpha [90.0000] _cell_angle_beta [121.0919] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.2066] _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 0.1667 0.0000 0.4985 1.0 ]
Carbon-24
C-9606-4988-52
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 [9.2757] _cell_length_b [2.5038] _cell_length_c [7.1089] _cell_angle_alpha [90.0000] _cell_angle_beta [121.0006] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [141.5186] _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 0.0401 0.5000 0.9442 1.0 C C1 4 0.0431 0.5000 0.2795 1.0 C C2 4 0.0576 0.5000 0.6228 1.0 C C3 4 0.1745 0.0000 0.6971 1.0 C C4 4 0.2252 0.5000 0.0454 1.0 C C5 4 0.2273 0.5000 0.4228 1.0 ]
Carbon-24
C-9603-8567-32
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 [P-1] _cell_length_a [3.4234] _cell_length_b [3.7519] _cell_length_c [4.7182] _cell_angle_alpha [80.4004] _cell_angle_beta [87.4176] _cell_angle_gamma [76.5296] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.1093] _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 0.1241 0.0007 0.3815 1.0 C C1 2 0.2743 0.3126 0.2350 1.0 C C2 2 0.2745 0.6858 0.2328 1.0 C C3 2 0.4998 0.8189 0.9998 1.0 ]
Carbon-24
C-102757-2964-20
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 [2.4461] _cell_length_b [6.0940] _cell_length_c [8.1686] _cell_angle_alpha [85.9798] _cell_angle_beta [88.6006] _cell_angle_gamma [78.4891] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [119.0163] _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 0.0870 0.8492 0.4918 1.0 C C1 1 0.1499 0.4039 0.5834 1.0 C C2 1 0.1947 0.2803 0.9165 1.0 C C3 1 0.2049 0.2675 0.2675 1.0 C C4 1 0.2140 0.2280 0.7384 1.0 C C5 1 0.2189 0.7426 0.1756 1.0 C C6 1 0.2341 0.7783 0.0045 1.0 C C7 1 0.2529 0.2222 0.4511 1.0 C C8 1 0.3133 0.7571 0.6643 1.0 C C9 1 0.5833 0.5447 0.5714 1.0 C C10 1 0.6444 0.7310 0.4328 1.0 C C11 1 0.6913 0.2837 0.0029 1.0 C C12 1 0.7015 0.2744 0.1813 1.0 C C13 1 0.7186 0.7227 0.2573 1.0 C C14 1 0.7344 0.7972 0.9231 1.0 C C15 1 0.7682 0.0951 0.6962 1.0 C C16 1 0.7733 0.8429 0.7471 1.0 C C17 1 0.8310 0.0914 0.5078 1.0 ]
Carbon-24
C-73615-2489-32
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 [4.2024] _cell_length_b [2.4307] _cell_length_c [3.0587] _cell_angle_alpha [90.0000] _cell_angle_beta [114.2987] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.4756] _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 0.4984 1.0 ]
Carbon-24
C-134216-4713-23
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 [2.4307] _cell_length_b [3.0350] _cell_length_c [7.8973] _cell_angle_alpha [88.7254] _cell_angle_beta [88.8474] _cell_angle_gamma [86.8367] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.1449] _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 0.2494 0.2211 0.2937 1.0 C C1 2 0.2497 0.0447 0.4586 1.0 C C2 2 0.2509 0.5311 0.9570 1.0 C C3 2 0.2513 0.6933 0.7898 1.0 ]
Carbon-24
C-130526-2423-26
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 [2.4813] _cell_length_b [3.8451] _cell_length_c [3.7420] _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 [35.7012] _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 0.2045 0.3824 1.0 C C1 2 0.2500 0.5000 0.1146 1.0 ]
Carbon-24
C-141045-9787-20
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] _cell_length_a [6.4033] _cell_length_b [8.3841] _cell_length_c [2.4362] _cell_angle_alpha [90.0000] _cell_angle_beta [99.6839] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [5] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [128.9288] _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 0.0535 0.1800 0.2750 1.0 C C1 4 0.1236 0.6343 0.0125 1.0 C C2 4 0.2103 0.4664 0.9834 1.0 C C3 4 0.2161 0.7129 0.5524 1.0 C C4 4 0.2475 0.8903 0.5111 1.0 ]
Carbon-24
C-134216-4713-46
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 [5.9521] _cell_length_b [8.1577] _cell_length_c [2.4539] _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 [119.1490] _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 0.1497 0.4072 0.5000 1.0 C C1 8 0.2181 0.3296 0.0000 1.0 ]
Carbon-24
C-134208-315-21
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 [2.4708] _cell_length_b [4.1798] _cell_length_c [6.8481] _cell_angle_alpha [101.5981] _cell_angle_beta [99.9414] _cell_angle_gamma [91.8724] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [68.0725] _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 0.0159 0.2153 0.3738 1.0 C C1 1 0.1035 0.1157 0.9071 1.0 C C2 1 0.1256 0.1115 0.6859 1.0 C C3 1 0.1377 0.4101 0.5978 1.0 C C4 1 0.4476 0.6659 0.2219 1.0 C C5 1 0.4844 0.6442 0.9936 1.0 C C6 1 0.5016 0.9928 0.3714 1.0 C C7 1 0.5907 0.9313 0.5913 1.0 C C8 1 0.6586 0.2904 0.0022 1.0 C C9 1 0.6828 0.6123 0.6584 1.0 C C10 1 0.9195 0.4413 0.2257 1.0 C C11 1 0.9425 0.7519 0.8973 1.0 ]
Carbon-24
C-107752-5318-33
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 [14.0338] _cell_length_b [2.4874] _cell_length_c [3.8779] _cell_angle_alpha [90.0000] _cell_angle_beta [94.0439] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [135.0327] _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 0.0440 0.5000 0.1392 1.0 C C1 4 0.0452 0.0000 0.3816 1.0 C C2 4 0.1259 0.5000 0.9021 1.0 C C3 4 0.1279 0.0000 0.6630 1.0 C C4 4 0.2273 0.5000 0.0631 1.0 C C5 4 0.2351 0.0000 0.5833 1.0 ]
Carbon-24
C-145329-3191-34
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 [8.6823] _cell_length_b [2.4522] _cell_length_c [6.6156] _cell_angle_alpha [90.0000] _cell_angle_beta [93.9284] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [140.5214] _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 2 0.0009 0.5000 0.0430 1.0 C C1 2 0.0596 0.5000 0.5092 1.0 C C2 2 0.1021 0.0000 0.3813 1.0 C C3 2 0.1227 0.5000 0.9103 1.0 C C4 2 0.1715 0.5000 0.6995 1.0 C C5 2 0.2720 0.5000 0.0142 1.0 C C6 2 0.2805 0.0000 0.3474 1.0 C C7 2 0.2871 0.0000 0.7080 1.0 C C8 2 0.3228 0.5000 0.2313 1.0 C C9 2 0.3461 0.0000 0.9313 1.0 C C10 2 0.3856 0.0000 0.5386 1.0 C C11 2 0.4969 0.5000 0.1859 1.0 ]
Carbon-24
C-184058-8674-44
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 [C2/m] _cell_length_a [6.9494] _cell_length_b [2.4814] _cell_length_c [4.2192] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6756] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0518] _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 0.0179 0.0000 0.1825 1.0 C C1 4 0.0605 0.5000 0.6865 1.0 C C2 4 0.2406 0.0000 0.3889 1.0 ]
Carbon-24
C-152591-5216-9
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 [C2/m] _cell_length_a [5.7368] _cell_length_b [3.6486] _cell_length_c [4.2397] _cell_angle_alpha [90.0000] _cell_angle_beta [104.8626] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [85.7710] _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 0.1724 0.3078 0.3466 1.0 C C1 4 0.0792 0.0000 0.1560 1.0 ]
Carbon-24
C-184040-7075-20
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 [6.3255] _cell_length_b [2.4631] _cell_length_c [5.2879] _cell_angle_alpha [90.0000] _cell_angle_beta [93.7258] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.2139] _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 0.1140 0.0000 0.5350 1.0 C C1 4 0.2080 0.5000 0.6615 1.0 C C2 4 0.2418 0.5000 0.9366 1.0 ]
Carbon-24
C-76004-9092-18
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 [3.7016] _cell_length_b [4.2029] _cell_length_c [4.2687] _cell_angle_alpha [60.6900] _cell_angle_beta [76.2509] _cell_angle_gamma [68.5818] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [53.7672] _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 0.0139 0.3937 0.4183 1.0 C C1 2 0.3846 0.5343 0.6637 1.0 C C2 2 0.4292 0.1950 0.3393 1.0 C C3 2 0.4702 0.1659 0.0006 1.0 ]
Carbon-24
C-184068-6075-16
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 [6.9464] _cell_length_b [2.4798] _cell_length_c [4.2164] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8696] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.8608] _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 0.1825 1.0 C C1 4 0.0615 0.0000 0.6869 1.0 C C2 4 0.2399 0.5000 0.3889 1.0 ]
Carbon-24
C-157672-8945-4
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 [3.6434] _cell_length_b [8.9111] _cell_length_c [2.6728] _cell_angle_alpha [90.0000] _cell_angle_beta [97.1468] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.1020] _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 0.1920 0.1736 0.4994 1.0 C C1 4 0.0000 0.4229 0.5000 1.0 ]
Carbon-24
C-137379-9907-58
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 [P1] _cell_length_a [3.3588] _cell_length_b [3.4110] _cell_length_c [11.3514] _cell_angle_alpha [94.2707] _cell_angle_beta [94.2433] _cell_angle_gamma [90.4811] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C22]' _cell_volume [129.3252] _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 1 0.0096 0.9590 0.2762 1.0 C C1 1 0.0474 0.5321 0.8131 1.0 C C2 1 0.0778 0.5276 0.5492 1.0 C C3 1 0.1261 0.2414 0.0814 1.0 C C4 1 0.1951 0.6323 0.3449 1.0 C C5 1 0.2525 0.2010 0.6152 1.0 C C6 1 0.2533 0.7020 0.9318 1.0 C C7 1 0.3060 0.2289 0.7500 1.0 C C8 1 0.3212 0.1049 0.1968 1.0 C C9 1 0.3900 0.6622 0.4712 1.0 C C10 1 0.4397 0.3902 0.0065 1.0 C C11 1 0.5077 0.4568 0.2682 1.0 C C12 1 0.5735 0.0242 0.5407 1.0 C C13 1 0.5891 0.0392 0.9323 1.0 C C14 1 0.6565 0.7722 0.1967 1.0 C C15 1 0.7011 0.1841 0.8142 1.0 C C16 1 0.7249 0.3525 0.4714 1.0 C C17 1 0.7939 0.5789 0.0812 1.0 C C18 1 0.8580 0.3189 0.3450 1.0 C C19 1 0.9305 0.8853 0.6152 1.0 C C20 1 0.9407 0.8917 0.0067 1.0 C C21 1 0.9695 0.8973 0.7502 1.0 ]
Carbon-24
C-145323-1843-16
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 [Cmce] _cell_length_a [4.2875] _cell_length_b [4.9755] _cell_length_c [4.3025] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [64] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [91.7834] _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 16 0.1809 0.1348 0.4103 1.0 ]
Carbon-24
C-53797-7447-3
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 [3.5168] _cell_length_b [3.5168] _cell_length_c [3.5168] _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 [43.4955] _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-184064-8186-37
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 [12.2063] _cell_length_b [2.4599] _cell_length_c [2.5503] _cell_angle_alpha [90.0000] _cell_angle_beta [100.2549] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [75.3518] _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 0.0396 0.5000 0.2802 1.0 C C1 4 0.1060 0.0000 0.3434 1.0 C C2 4 0.2201 0.0000 0.4681 1.0 ]
Carbon-24
C-102905-3681-5
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 [2.4261] _cell_length_b [2.4261] _cell_length_c [8.3126] _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 [42.3719] _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 0.3334 1.0 ]
Carbon-24
C-130532-5775-1
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 [Im-3m] _cell_length_a [4.3038] _cell_length_b [4.3038] _cell_length_c [4.3038] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [229] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [79.7201] _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 12 0.0000 0.2500 0.5000 1.0 ]
Carbon-24
C-13647-2599-58
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 [8.4206] _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 [42.9387] _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 0.1664 1.0 ]
Carbon-24
C-134164-924-45
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 [3.3755] _cell_length_b [3.7913] _cell_length_c [4.0791] _cell_angle_alpha [108.5791] _cell_angle_beta [100.2496] _cell_angle_gamma [107.0317] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.1435] _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 0.0544 0.8377 0.0295 1.0 C C1 2 0.1686 0.6199 0.6816 1.0 C C2 2 0.3157 0.3519 0.8411 1.0 C C3 2 0.4879 0.0153 0.6837 1.0 ]
Carbon-24
C-80182-7828-11
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 [5.0580] _cell_length_b [4.2183] _cell_length_c [4.8349] _cell_angle_alpha [90.0000] _cell_angle_beta [106.0874] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.1190] _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 0.1574 0.3184 0.5866 1.0 C C1 8 0.2194 0.1628 0.8713 1.0 ]
Carbon-24
C-90835-6350-66
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 [4.1892] _cell_length_b [8.6525] _cell_length_c [2.4775] _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 [89.8007] _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 0.1848 0.1667 0.5000 1.0 C C1 8 0.1851 0.4108 0.0000 1.0 ]
Carbon-24
C-107727-1562-40
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 [2.4243] _cell_length_b [2.4314] _cell_length_c [5.6399] _cell_angle_alpha [84.0457] _cell_angle_beta [84.0232] _cell_angle_gamma [60.0911] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.6071] _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 0.1542 0.6286 0.2471 1.0 C C1 2 0.4887 0.9609 0.2468 1.0 ]
Carbon-24
C-134187-5202-29
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 [3.4262] _cell_length_b [3.2653] _cell_length_c [4.7370] _cell_angle_alpha [90.0000] _cell_angle_beta [114.6206] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [14] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [48.1782] _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 0.2344 0.0350 0.0675 1.0 C C1 4 0.4290 0.1857 0.4016 1.0 ]
Carbon-24
C-177230-2077-44
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 [P1] _cell_length_a [2.4871] _cell_length_b [5.7938] _cell_length_c [7.2320] _cell_angle_alpha [101.1366] _cell_angle_beta [94.0580] _cell_angle_gamma [100.9275] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.7701] _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 0.0315 0.5999 0.3588 1.0 C C1 1 0.0977 0.6866 0.5696 1.0 C C2 1 0.2004 0.3474 0.0106 1.0 C C3 1 0.2470 0.8134 0.9728 1.0 C C4 1 0.2534 0.9858 0.1602 1.0 C C5 1 0.3106 0.5880 0.0538 1.0 C C6 1 0.3421 0.2509 0.1779 1.0 C C7 1 0.3953 0.1769 0.5480 1.0 C C8 1 0.4346 0.1772 0.7319 1.0 C C9 1 0.5509 0.6846 0.2680 1.0 C C10 1 0.6371 0.7279 0.6629 1.0 C C11 1 0.7360 0.9419 0.2700 1.0 C C12 1 0.7552 0.8624 0.8635 1.0 C C13 1 0.8656 0.1617 0.4368 1.0 C C14 1 0.9055 0.3327 0.2977 1.0 C C15 1 0.9462 0.1537 0.8376 1.0 ]
Carbon-24
C-130534-5496-26
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 [2.4332] _cell_length_b [6.3961] _cell_length_c [6.9530] _cell_angle_alpha [112.9990] _cell_angle_beta [95.4988] _cell_angle_gamma [99.9809] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [96.4903] _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 0.0796 0.7703 0.2446 1.0 C C1 1 0.0858 0.2328 0.2469 1.0 C C2 1 0.1081 0.2536 0.8378 1.0 C C3 1 0.1866 0.3935 0.4634 1.0 C C4 1 0.2051 0.8476 0.4684 1.0 C C5 1 0.4015 0.7187 0.9127 1.0 C C6 1 0.4405 0.9655 0.9188 1.0 C C7 1 0.5289 0.1464 0.1443 1.0 C C8 1 0.5320 0.7477 0.1386 1.0 C C9 1 0.6657 0.3590 0.8363 1.0 C C10 1 0.7418 0.4683 0.5704 1.0 C C11 1 0.7611 0.8880 0.5774 1.0 C C12 1 0.8094 0.5795 0.8066 1.0 C C13 1 0.9310 0.0081 0.8125 1.0 ]
Carbon-24
C-193928-6141-18
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 [8.7507] _cell_length_b [2.4527] _cell_length_c [4.0842] _cell_angle_alpha [90.0000] _cell_angle_beta [94.1633] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [87.4260] _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 0.0192 0.5000 0.6582 1.0 C C1 4 0.0489 0.0000 0.8483 1.0 C C2 4 0.2148 0.0000 0.9712 1.0 ]
Carbon-24
C-130526-2423-9
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 [3.5171] _cell_length_b [3.5171] _cell_length_c [3.5171] _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 [43.5070] _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-126151-6380-41
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 [C2/m] _cell_length_a [6.9484] _cell_length_b [2.4813] _cell_length_c [4.2204] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8192] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0080] _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 0.0171 0.0000 0.6824 1.0 C C1 4 0.0613 0.5000 0.1868 1.0 C C2 4 0.2400 0.0000 0.8891 1.0 ]
Carbon-24
C-170350-1491-40
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 [Pm] _cell_length_a [4.1903] _cell_length_b [2.4783] _cell_length_c [7.9648] _cell_angle_alpha [90.0000] _cell_angle_beta [90.2944] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [6] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [82.7124] _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 0.0135 0.5000 0.2580 1.0 C C1 1 0.0350 0.5000 0.5813 1.0 C C2 1 0.1658 0.5000 0.7626 1.0 C C3 1 0.3542 0.5000 0.3056 1.0 C C4 1 0.3566 0.5000 0.4981 1.0 C C5 1 0.3846 0.0000 0.7598 1.0 C C6 1 0.5092 0.0000 0.5733 1.0 C C7 1 0.5229 0.0000 0.2484 1.0 C C8 1 0.6662 0.0000 0.0756 1.0 C C9 1 0.6664 0.0000 0.8779 1.0 C C10 1 0.8551 0.0000 0.3323 1.0 C C11 1 0.8560 0.0000 0.5277 1.0 C C12 1 0.8757 0.5000 0.0792 1.0 C C13 1 0.8854 0.5000 0.8801 1.0 ]
Carbon-24
C-72716-3406-49
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 [5.8367] _cell_length_b [6.1213] _cell_length_c [2.4280] _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 [86.7477] _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 0.2050 0.2836 0.2500 1.0 C C1 4 0.0000 0.4281 0.2500 1.0 ]
Carbon-24
C-136208-4716-4
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 [Immm] _cell_length_a [2.5140] _cell_length_b [4.1097] _cell_length_c [6.8491] _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 [70.7643] _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 0.3157 0.3059 1.0 C C1 4 0.0000 0.1653 0.5000 1.0 ]
Carbon-24
C-76006-9814-50
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 [3.7517] _cell_length_b [5.5463] _cell_length_c [5.6889] _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 [118.3746] _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 0.1871 0.0000 0.2312 1.0 C C1 4 0.0000 0.5000 0.3804 1.0 C C2 4 0.1815 0.5000 0.0000 1.0 ]
Carbon-24
C-189728-4378-37
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 [5.9796] _cell_length_b [2.4695] _cell_length_c [5.1800] _cell_angle_alpha [90.0000] _cell_angle_beta [92.2036] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.4352] _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 0.0071 0.5000 0.2193 1.0 C C1 4 0.0086 0.0000 0.3722 1.0 C C2 4 0.1800 0.5000 0.0019 1.0 ]
Carbon-24
C-145340-6787-7
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 [C2/m] _cell_length_a [4.2052] _cell_length_b [2.4284] _cell_length_c [5.6869] _cell_angle_alpha [90.0000] _cell_angle_beta [98.7276] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [57.4011] _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 0.0110 0.5000 0.2494 1.0 C C1 4 0.1560 0.0000 0.7503 1.0 ]
Carbon-24
C-40128-4097-16
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 [2.4316] _cell_length_b [2.4316] _cell_length_c [8.4565] _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 [43.3010] _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 0.3334 1.0 ]
Carbon-24
C-47633-513-43
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 [2.5197] _cell_length_b [4.7221] _cell_length_c [6.3774] _cell_angle_alpha [70.9566] _cell_angle_beta [82.1516] _cell_angle_gamma [87.6272] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [71.0559] _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 0.0220 0.3908 0.4385 1.0 C C1 2 0.0288 0.9281 0.4086 1.0 C C2 2 0.3076 0.4336 0.9501 1.0 C C3 2 0.4237 0.6095 0.7028 1.0 C C4 2 0.4392 0.9379 0.7195 1.0 C C5 2 0.4766 0.1078 0.0460 1.0 ]
Carbon-24
C-107771-927-21
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 [6.9467] _cell_length_b [2.4807] _cell_length_c [4.2194] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8022] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9642] _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 0.0172 0.5000 0.6824 1.0 C C1 4 0.0615 0.0000 0.1868 1.0 C C2 4 0.2404 0.5000 0.8887 1.0 ]
Carbon-24
C-150723-6210-30
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 [2.4550] _cell_length_b [4.4103] _cell_length_c [10.6733] _cell_angle_alpha [92.5474] _cell_angle_beta [90.6888] _cell_angle_gamma [97.1455] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [114.5354] _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 0.1309 0.9189 0.1384 1.0 C C1 1 0.1775 0.0188 0.2753 1.0 C C2 1 0.2827 0.1923 0.5261 1.0 C C3 1 0.2933 0.2105 0.6685 1.0 C C4 1 0.3024 0.3667 0.2454 1.0 C C5 1 0.3105 0.5368 0.7316 1.0 C C6 1 0.3114 0.5226 0.4877 1.0 C C7 1 0.3360 0.4146 0.8642 1.0 C C8 1 0.4198 0.5775 0.3534 1.0 C C9 1 0.4642 0.6404 0.9761 1.0 C C10 1 0.6329 0.9811 0.9566 1.0 C C11 1 0.6491 0.9129 0.3442 1.0 C C12 1 0.6746 0.0763 0.0898 1.0 C C13 1 0.7580 0.0121 0.4835 1.0 C C14 1 0.7804 0.1969 0.8591 1.0 C C15 1 0.7872 0.0605 0.7241 1.0 C C16 1 0.8091 0.3801 0.1567 1.0 C C17 1 0.8105 0.6959 0.5443 1.0 C C18 1 0.8146 0.7146 0.6909 1.0 C C19 1 0.9642 0.6177 0.0652 1.0 ]
Carbon-24
C-141031-4766-22
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 [2.4820] _cell_length_b [3.8448] _cell_length_c [3.7391] _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 [35.6820] _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 0.2946 0.3808 1.0 C C1 2 0.2500 0.0000 0.1146 1.0 ]
Carbon-24
C-130499-1826-27
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 [3.5155] _cell_length_b [3.5155] _cell_length_c [3.5155] _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 [43.4482] _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-92126-8113-6
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 [Imma] _cell_length_a [2.6096] _cell_length_b [3.6777] _cell_length_c [8.1701] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [74] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [78.4109] _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 0.0626 0.4190 1.0 C C1 4 0.0000 0.2500 0.6973 1.0 ]
Carbon-24
C-145340-6787-27
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 [Fmm2] _cell_length_a [4.3897] _cell_length_b [8.7284] _cell_length_c [4.9795] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [42] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [190.7909] _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 16 0.1760 0.0875 0.2855 1.0 C C1 16 0.1780 0.1710 0.0121 1.0 ]
Carbon-24
C-13933-5578-33
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 [4.1998] _cell_length_b [2.4329] _cell_length_c [3.1046] _cell_angle_alpha [90.0000] _cell_angle_beta [113.4294] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.1066] _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 0.1666 0.0000 0.9992 1.0 ]
Carbon-24
C-134158-3120-6
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 [3.7178] _cell_length_b [4.4648] _cell_length_c [4.8025] _cell_angle_alpha [73.6166] _cell_angle_beta [70.1026] _cell_angle_gamma [77.7936] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [71.3232] _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 0.0274 0.3062 0.7867 1.0 C C1 2 0.0513 0.3408 0.2817 1.0 C C2 2 0.2498 0.1935 0.0161 1.0 C C3 2 0.2716 0.1963 0.5044 1.0 C C4 2 0.3064 0.8366 0.5110 1.0 C C5 2 0.3165 0.8428 0.1705 1.0 ]
Carbon-24
C-76032-8953-54
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 [3.9594] _cell_length_b [4.0572] _cell_length_c [6.0448] _cell_angle_alpha [99.1916] _cell_angle_beta [92.4426] _cell_angle_gamma [111.9650] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [88.3418] _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 0.0206 0.6070 0.9149 1.0 C C1 2 0.1645 0.1225 0.5468 1.0 C C2 2 0.2808 0.5327 0.2485 1.0 C C3 2 0.3346 0.3993 0.4392 1.0 C C4 2 0.3468 0.9328 0.9121 1.0 C C5 2 0.3949 0.1493 0.7476 1.0 ]
Carbon-24
C-130518-7047-8
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 [6.9495] _cell_length_b [2.4814] _cell_length_c [4.2182] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6867] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0326] _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 0.0172 0.5000 0.6827 1.0 C C1 4 0.0609 0.0000 0.1860 1.0 C C2 4 0.2410 0.5000 0.8889 1.0 ]
Carbon-24
C-9586-1605-21
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 [C2/m] _cell_length_a [12.9130] _cell_length_b [2.4530] _cell_length_c [7.0077] _cell_angle_alpha [90.0000] _cell_angle_beta [92.3917] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [221.7751] _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 0.0315 0.5000 0.4274 1.0 C C1 4 0.0554 0.5000 0.9800 1.0 C C2 4 0.0711 0.0000 0.3555 1.0 C C3 4 0.1089 0.0000 0.0042 1.0 C C4 4 0.1526 0.0000 0.2205 1.0 C C5 4 0.2204 0.5000 0.2461 1.0 C C6 4 0.2222 0.0000 0.9452 1.0 C C7 4 0.2495 0.5000 0.4491 1.0 ]
Carbon-24
C-13946-920-8
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 [3.3117] _cell_length_b [4.7964] _cell_length_c [4.8380] _cell_angle_alpha [80.0569] _cell_angle_beta [83.3451] _cell_angle_gamma [75.4109] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [73.0428] _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 0.0001 0.3484 0.0007 1.0 C C1 2 0.2445 0.7435 0.7599 1.0 C C2 2 0.2475 0.2520 0.7604 1.0 C C3 2 0.3654 0.0006 0.6341 1.0 C C4 2 0.3838 0.4977 0.6241 1.0 ]
Carbon-24
C-92144-1112-24
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 [6.7364] _cell_length_b [2.4113] _cell_length_c [9.1207] _cell_angle_alpha [90.0000] _cell_angle_beta [109.2837] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [139.8425] _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 0.0757 0.5000 0.4302 1.0 C C1 2 0.0836 0.5000 0.6872 1.0 C C2 2 0.1312 0.5000 0.8545 1.0 C C3 2 0.1404 0.0000 0.9329 1.0 C C4 2 0.1575 0.0000 0.0945 1.0 C C5 2 0.1684 0.5000 0.1719 1.0 C C6 2 0.2238 0.5000 0.5927 1.0 C C7 2 0.2239 0.5000 0.3417 1.0 C C8 2 0.3568 0.0000 0.4155 1.0 C C9 2 0.3610 0.0000 0.5891 1.0 ]
Carbon-24
C-41273-2006-37
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 [Imm2] _cell_length_a [2.4750] _cell_length_b [10.8192] _cell_length_c [4.2590] _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 '[C20]' _cell_volume [114.0469] _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 0.1333 0.1588 1.0 C C1 4 0.0000 0.1682 0.5004 1.0 C C2 4 0.0000 0.3108 0.5022 1.0 C C3 4 0.0000 0.3712 0.1749 1.0 C C4 2 0.0000 0.0000 0.0244 1.0 C C5 2 0.0000 0.5000 0.3089 1.0 ]
Carbon-24
C-96678-2884-24
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 [C2/m] _cell_length_a [8.6457] _cell_length_b [2.4872] _cell_length_c [7.5169] _cell_angle_alpha [90.0000] _cell_angle_beta [105.3762] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [155.8522] _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 0.0284 0.0000 0.8077 1.0 C C1 4 0.0453 0.5000 0.9302 1.0 C C2 4 0.0866 0.5000 0.4799 1.0 C C3 4 0.1064 0.0000 0.3695 1.0 C C4 4 0.1971 0.0000 0.7652 1.0 C C5 4 0.2179 0.5000 0.0334 1.0 C C6 4 0.2205 0.5000 0.6610 1.0 ]
Carbon-24
C-76014-6220-44
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 [4.2004] _cell_length_b [2.4319] _cell_length_c [3.0801] _cell_angle_alpha [90.0000] _cell_angle_beta [112.8459] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.9943] _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 0.1655 0.5000 0.9983 1.0 ]
Carbon-24
C-28230-7089-18
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 [2.4741] _cell_length_b [5.4611] _cell_length_c [4.2366] _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 [57.2412] _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 0.2619 0.4434 1.0 C C1 2 0.0000 0.3456 0.7831 1.0 C C2 2 0.5000 0.2597 0.9551 1.0 C C3 2 0.5000 0.3662 0.2867 1.0 C C4 1 0.0000 0.0000 0.3081 1.0 C C5 1 0.5000 0.0000 0.0867 1.0 ]
Carbon-24
C-92148-9593-17
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 [3.1753] _cell_length_b [3.6144] _cell_length_c [4.3880] _cell_angle_alpha [104.3945] _cell_angle_beta [102.3982] _cell_angle_gamma [103.0216] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [45.5273] _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 0.1574 0.0789 0.6538 1.0 C C1 2 0.3491 0.4821 0.8427 1.0 C C2 2 0.3498 0.8639 0.8439 1.0 ]
Carbon-24
C-142827-3466-55
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 [P1] _cell_length_a [2.4679] _cell_length_b [6.7121] _cell_length_c [7.9685] _cell_angle_alpha [72.5411] _cell_angle_beta [86.0900] _cell_angle_gamma [87.8349] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C22]' _cell_volume [125.6029] _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 1 0.0453 0.0043 0.3617 1.0 C C1 1 0.2670 0.0044 0.1578 1.0 C C2 1 0.3580 0.2236 0.0351 1.0 C C3 1 0.3730 0.2680 0.8424 1.0 C C4 1 0.3835 0.0472 0.8102 1.0 C C5 1 0.3971 0.5723 0.2999 1.0 C C6 1 0.4084 0.5404 0.4945 1.0 C C7 1 0.4205 0.7042 0.5953 1.0 C C8 1 0.4251 0.4088 0.0875 1.0 C C9 1 0.4331 0.0810 0.6107 1.0 C C10 1 0.4398 0.3504 0.2799 1.0 C C11 1 0.4885 0.9272 0.4850 1.0 C C12 1 0.8182 0.8970 0.1061 1.0 C C13 1 0.8681 0.9280 0.8986 1.0 C C14 1 0.8812 0.3963 0.7593 1.0 C C15 1 0.8905 0.6626 0.1926 1.0 C C16 1 0.8946 0.7139 0.8776 1.0 C C17 1 0.8946 0.6429 0.7189 1.0 C C18 1 0.9079 0.4128 0.5690 1.0 C C19 1 0.9189 0.5535 0.0443 1.0 C C20 1 0.9314 0.2069 0.5427 1.0 C C21 1 0.9532 0.2322 0.3537 1.0 ]
Carbon-24
C-9622-7780-31
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 [Pmm2] _cell_length_a [2.5324] _cell_length_b [3.7653] _cell_length_c [5.0454] _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 '[C8]' _cell_volume [48.1103] _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 0.0000 0.3011 0.0645 1.0 C C1 2 0.5000 0.1942 0.2239 1.0 C C2 2 0.5000 0.3214 0.5012 1.0 C C3 1 0.0000 0.0000 0.8556 1.0 C C4 1 0.5000 0.0000 0.6860 1.0 ]
Carbon-24
C-148258-4740-14
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 [2.4294] _cell_length_b [2.4294] _cell_length_c [8.5643] _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 [43.7750] _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 0.1664 1.0 ]
Carbon-24
C-130512-5016-27
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 [12.8258] _cell_length_b [2.4377] _cell_length_c [4.2379] _cell_angle_alpha [90.0000] _cell_angle_beta [96.0954] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [131.7492] _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 0.0619 0.5000 0.5298 1.0 C C1 4 0.0933 0.5000 0.8774 1.0 C C2 4 0.0992 0.0000 0.0370 1.0 C C3 4 0.1083 0.0000 0.3902 1.0 C C4 4 0.2245 0.0000 0.4813 1.0 ]
Carbon-24
C-152607-7999-45
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 [4.1753] _cell_length_b [2.4263] _cell_length_c [7.0014] _cell_angle_alpha [90.0000] _cell_angle_beta [93.7620] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [70.7743] _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 0.0583 0.2500 0.2524 1.0 C C1 2 0.0681 0.7500 0.9523 1.0 C C2 2 0.1655 0.7500 0.3320 1.0 C C3 2 0.4212 0.7500 0.9887 1.0 C C4 2 0.4258 0.7500 0.4723 1.0 ]
Carbon-24
C-149237-396-17
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 [2.4982] _cell_length_b [4.4470] _cell_length_c [10.5201] _cell_angle_alpha [78.9324] _cell_angle_beta [85.8489] _cell_angle_gamma [88.8959] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [114.3985] _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 0.0017 0.0634 0.7647 1.0 C C1 1 0.0995 0.1715 0.6184 1.0 C C2 1 0.1452 0.5372 0.6178 1.0 C C3 1 0.1809 0.7488 0.8208 1.0 C C4 1 0.2059 0.1657 0.3423 1.0 C C5 1 0.2080 0.7941 0.3454 1.0 C C6 1 0.2426 0.7228 0.2118 1.0 C C7 1 0.2483 0.3638 0.2063 1.0 C C8 1 0.2597 0.5278 0.7564 1.0 C C9 1 0.3043 0.7423 0.9568 1.0 C C10 1 0.3363 0.0937 0.9625 1.0 C C11 1 0.4328 0.2166 0.8173 1.0 C C12 1 0.6303 0.0707 0.5520 1.0 C C13 1 0.6562 0.6993 0.5517 1.0 C C14 1 0.6811 0.2584 0.4124 1.0 C C15 1 0.6924 0.6386 0.4139 1.0 C C16 1 0.7631 0.8231 0.1351 1.0 C C17 1 0.7740 0.3462 0.1231 1.0 C C18 1 0.7911 0.6369 0.0327 1.0 C C19 1 0.8020 0.1160 0.0440 1.0 ]
Carbon-24
C-113072-9570-57
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 [7.2334] _cell_length_b [2.4838] _cell_length_c [5.2227] _cell_angle_alpha [90.0000] _cell_angle_beta [99.3782] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.5770] _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 0.0261 0.5000 0.6433 1.0 C C1 4 0.1002 0.0000 0.0290 1.0 C C2 4 0.1374 0.0000 0.7497 1.0 C C3 4 0.1473 0.5000 0.1940 1.0 ]
Carbon-24
C-184084-4554-7
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 [5.9823] _cell_length_b [2.4729] _cell_length_c [5.1695] _cell_angle_alpha [90.0000] _cell_angle_beta [92.1263] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.4239] _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 0.0080 0.0000 0.3722 1.0 C C1 4 0.0086 0.5000 0.2189 1.0 C C2 4 0.1822 0.5000 0.0011 1.0 ]
Carbon-24
C-189703-1540-16
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 [3.5171] _cell_length_b [3.5171] _cell_length_c [3.3178] _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 [35.5423] _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 0.2318 0.4635 0.2500 1.0 ]