Datasets:
c-bone
/
Carbon-24_clean

Dataset card Data Studio Files Community
1
Database
stringclasses
1 value
Material ID
stringlengths
12
16
Reduced Formula
stringclasses
1 value
CIF
stringlengths
761
1.7k
Carbon-24
C-130499-1826-36
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 [2.4805] _cell_length_c [4.2181] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7331] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9891] _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 4 0.0175 0.0000 0.6824 1.0 C C1 4 0.0605 0.5000 0.1863 1.0 C C2 4 0.2401 0.0000 0.8886 1.0 ]
Carbon-24
C-13904-4247-31
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 [11.6292] _cell_length_b [2.4899] _cell_length_c [3.9352] _cell_angle_alpha [90.0000] _cell_angle_beta [97.8123] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [112.8853] _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 0.0130 0.0000 0.6838 1.0 C C1 4 0.0324 0.5000 0.1723 1.0 C C2 4 0.1469 0.0000 0.8418 1.0 C C3 4 0.1525 0.5000 0.0809 1.0 C C4 4 0.2476 0.0000 0.6171 1.0 ]
Carbon-24
C-92138-4782-35
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 [Cm] _cell_length_a [9.2920] _cell_length_b [2.4417] _cell_length_c [5.4927] _cell_angle_alpha [90.0000] _cell_angle_beta [110.2559] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [116.9125] _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 0.0232 0.5000 0.1916 1.0 C C1 2 0.0609 0.5000 0.4797 1.0 C C2 2 0.0947 0.0000 0.8497 1.0 C C3 2 0.0987 0.0000 0.1182 1.0 C C4 2 0.2348 0.5000 0.6427 1.0 C C5 2 0.2488 0.0000 0.8169 1.0 C C6 2 0.2731 0.0000 0.2782 1.0 C C7 2 0.3208 0.5000 0.4565 1.0 C C8 2 0.3546 0.0000 0.0857 1.0 C C9 2 0.4952 0.5000 0.5724 1.0 ]
Carbon-24
C-192672-505-73
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 [2.4752] _cell_length_b [4.1893] _cell_length_c [10.9139] _cell_angle_alpha [79.1682] _cell_angle_beta [89.8264] _cell_angle_gamma [89.8784] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [111.1533] _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 0.1328 0.0527 0.8730 1.0 C C1 1 0.2760 0.0532 0.0144 1.0 C C2 1 0.2944 0.0684 0.6238 1.0 C C3 1 0.3057 0.0174 0.4865 1.0 C C4 1 0.3082 0.2814 0.2560 1.0 C C5 1 0.3105 0.3394 0.3925 1.0 C C6 1 0.3230 0.6336 0.1996 1.0 C C7 1 0.3329 0.6989 0.0636 1.0 C C8 1 0.3510 0.7143 0.6785 1.0 C C9 1 0.4788 0.5796 0.8135 1.0 C C10 1 0.6355 0.2183 0.8082 1.0 C C11 1 0.7790 0.2317 0.6620 1.0 C C12 1 0.7938 0.1991 0.0629 1.0 C C13 1 0.8057 0.1262 0.2138 1.0 C C14 1 0.8128 0.5652 0.3910 1.0 C C15 1 0.8139 0.7932 0.4856 1.0 C C16 1 0.8173 0.7613 0.2529 1.0 C C17 1 0.8344 0.5943 0.6203 1.0 C C18 1 0.8490 0.5585 0.0153 1.0 C C19 1 0.9774 0.6836 0.8767 1.0 ]
Carbon-24
C-193956-5355-22
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 [3.6521] _cell_length_b [8.9206] _cell_length_c [3.0785] _cell_angle_alpha [90.0000] _cell_angle_beta [120.1356] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.7391] _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 0.1900 0.3270 0.4987 1.0 C C1 4 0.0000 0.0770 0.5000 1.0 ]
Carbon-24
C-176661-8591-28
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 [5.8504] _cell_length_b [7.2997] _cell_length_c [4.1784] _cell_angle_alpha [90.0000] _cell_angle_beta [90.3449] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [178.4419] _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 8 0.2292 0.3400 0.4263 1.0 C C1 8 0.2325 0.1704 0.9246 1.0 C C2 4 0.0000 0.4105 0.5000 1.0 C C3 4 0.1240 0.0000 0.4377 1.0 C C4 4 0.1310 0.0000 0.0680 1.0 ]
Carbon-24
C-177252-751-44
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 [4.1992] _cell_length_b [2.4325] _cell_length_c [3.3443] _cell_angle_alpha [90.0000] _cell_angle_beta [122.1354] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.9266] _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 0.1663 0.5000 0.9995 1.0 ]
Carbon-24
C-170900-9651-22
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 [2.5057] _cell_length_b [4.7904] _cell_length_c [5.8522] _cell_angle_alpha [80.6426] _cell_angle_beta [84.7595] _cell_angle_gamma [78.5632] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [67.8071] _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 0.0350 0.0034 0.3708 1.0 C C1 2 0.0639 0.6815 0.7578 1.0 C C2 2 0.2408 0.4727 0.5774 1.0 C C3 2 0.3881 0.1589 0.6960 1.0 C C4 2 0.4628 0.1323 0.9450 1.0 C C5 2 0.4739 0.3604 0.0825 1.0 ]
Carbon-24
C-130544-211-29
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 [Immm] _cell_length_a [2.5119] _cell_length_b [4.1113] _cell_length_c [6.8455] _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 [70.6939] _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 0.1844 0.1938 1.0 C C1 4 0.0000 0.3348 0.0000 1.0 ]
Carbon-24
C-136247-3248-26
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 [Cmcm] _cell_length_a [5.9547] _cell_length_b [5.9740] _cell_length_c [2.4260] _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 [86.3012] _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 0.2171 0.7500 1.0 C C1 4 0.0000 0.0740 0.7500 1.0 ]
Carbon-24
C-76016-983-23
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/c] _cell_length_a [4.0518] _cell_length_b [9.1653] _cell_length_c [2.4832] _cell_angle_alpha [90.0000] _cell_angle_beta [101.0428] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.5111] _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 0.1154 0.3102 0.0266 1.0 C C1 8 0.1944 0.0479 0.8382 1.0 ]
Carbon-24
C-170888-2365-32
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 [P1] _cell_length_a [2.4938] _cell_length_b [4.2119] _cell_length_c [4.8244] _cell_angle_alpha [88.7652] _cell_angle_beta [78.5893] _cell_angle_gamma [73.1961] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [47.5172] _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 1 0.0968 0.9406 0.6326 1.0 C C1 1 0.1021 0.2541 0.1633 1.0 C C2 1 0.1426 0.7464 0.8876 1.0 C C3 1 0.2106 0.4032 0.8837 1.0 C C4 1 0.2120 0.8956 0.1309 1.0 C C5 1 0.2649 0.7247 0.3777 1.0 C C6 1 0.4555 0.1807 0.6287 1.0 C C7 1 0.4668 0.3631 0.3497 1.0 ]
Carbon-24
C-141037-8469-46
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 [6.9473] _cell_length_b [2.4815] _cell_length_c [4.2186] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8377] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9653] _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 0.0000 0.6824 1.0 C C1 4 0.0611 0.5000 0.1868 1.0 C C2 4 0.2400 0.0000 0.8892 1.0 ]
Carbon-24
C-157689-1881-41
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 [3.6486] _cell_length_b [8.9101] _cell_length_c [3.1169] _cell_angle_alpha [90.0000] _cell_angle_beta [119.4755] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [88.2142] _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 0.1893 0.1735 0.4975 1.0 C C1 4 0.0000 0.4232 0.5000 1.0 ]
Carbon-24
C-72730-1850-7
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 [4.2009] _cell_length_b [2.4285] _cell_length_c [2.9894] _cell_angle_alpha [90.0000] _cell_angle_beta [112.3394] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.2088] _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 0.5000 0.9992 1.0 ]
Carbon-24
C-41262-9862-31
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 [3.6730] _cell_length_b [4.8344] _cell_length_c [4.8782] _cell_angle_alpha [112.5400] _cell_angle_beta [98.6185] _cell_angle_gamma [112.0856] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [69.6237] _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 0.0507 0.1128 0.4276 1.0 C C1 2 0.0883 0.0855 0.9206 1.0 C C2 2 0.1270 0.6448 0.5024 1.0 C C3 2 0.3918 0.4243 0.0783 1.0 C C4 2 0.4929 0.6188 0.4298 1.0 ]
Carbon-24
C-76050-9799-65
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 [P2/m] _cell_length_a [2.6243] _cell_length_b [2.4720] _cell_length_c [3.9544] _cell_angle_alpha [90.0000] _cell_angle_beta [104.7398] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [24.8089] _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 0.2932 0.0000 0.6209 1.0 C C1 2 0.3915 0.5000 0.8292 1.0 ]
Carbon-24
C-130538-6665-48
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 [14.2316] _cell_length_b [2.4441] _cell_length_c [5.5415] _cell_angle_alpha [90.0000] _cell_angle_beta [95.7138] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [191.7990] _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 0.0021 0.5000 0.8671 1.0 C C1 4 0.0603 0.0000 0.8329 1.0 C C2 4 0.0992 0.5000 0.2125 1.0 C C3 4 0.1065 0.0000 0.5966 1.0 C C4 4 0.1111 0.5000 0.4803 1.0 C C5 4 0.1344 0.0000 0.0815 1.0 C C6 4 0.2266 0.0000 0.0211 1.0 ]
Carbon-24
C-47644-8979-61
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 [Pm] _cell_length_a [5.3608] _cell_length_b [2.4298] _cell_length_c [7.0429] _cell_angle_alpha [90.0000] _cell_angle_beta [95.4373] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [6] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [91.3247] _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 0.1514 0.5000 0.9302 1.0 C C1 1 0.1662 0.5000 0.4494 1.0 C C2 1 0.2756 0.0000 0.9222 1.0 C C3 1 0.2811 0.0000 0.4092 1.0 C C4 1 0.4950 0.0000 0.3058 1.0 C C5 1 0.5470 0.0000 0.9377 1.0 C C6 1 0.5803 0.5000 0.2367 1.0 C C7 1 0.6549 0.5000 0.0419 1.0 C C8 1 0.7728 0.0000 0.8054 1.0 C C9 1 0.8580 0.0000 0.6133 1.0 C C10 1 0.8789 0.5000 0.9103 1.0 C C11 1 0.9481 0.5000 0.5476 1.0 ]
Carbon-24
C-41262-9862-12
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 [2.4903] _cell_length_b [6.7408] _cell_length_c [8.3462] _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 [140.1021] _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 0.1844 0.4059 1.0 C C1 8 0.0000 0.0000 0.3031 1.0 ]
Carbon-24
C-130532-5775-40
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 [2.5116] _cell_length_b [4.1131] _cell_length_c [6.8468] _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 [70.7303] _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 0.3155 0.1941 1.0 C C1 4 0.0000 0.1652 0.0000 1.0 ]
Carbon-24
C-176689-6597-36
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 [4.9826] _cell_length_b [4.2419] _cell_length_c [3.6334] _cell_angle_alpha [90.0000] _cell_angle_beta [109.2607] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.4960] _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 0.1066 0.1798 0.8815 1.0 C C1 4 0.0000 0.3417 0.5000 1.0 ]
Carbon-24
C-113078-2193-52
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 [P-1] _cell_length_a [2.4545] _cell_length_b [4.2613] _cell_length_c [4.3879] _cell_angle_alpha [73.4629] _cell_angle_beta [89.6355] _cell_angle_gamma [89.1043] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.9911] _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 0.0839 0.8498 0.4484 1.0 C C1 2 0.2364 0.9072 0.0827 1.0 C C2 2 0.2601 0.5427 0.0819 1.0 C C3 2 0.4122 0.3604 0.4322 1.0 ]
Carbon-24
C-152605-7685-1
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 [Cmm2] _cell_length_a [2.4389] _cell_length_b [12.8252] _cell_length_c [4.2292] _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 '[C20]' _cell_volume [132.2856] _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 0.0585 0.6209 1.0 C C1 4 0.0000 0.0985 0.2827 1.0 C C2 4 0.0000 0.2798 0.7328 1.0 C C3 4 0.0000 0.3879 0.7750 1.0 C C4 4 0.0000 0.3946 0.1258 1.0 ]
Carbon-24
C-142789-7601-3
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 [Imma] _cell_length_a [2.5078] _cell_length_b [4.8257] _cell_length_c [4.1415] _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 '[C8]' _cell_volume [50.1214] _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 0.0863 0.3542 1.0 ]
Carbon-24
C-177264-2024-14
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 [P2/m] _cell_length_a [2.5940] _cell_length_b [2.4713] _cell_length_c [3.9906] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6117] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [24.6373] _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 0.2967 0.5000 0.1216 1.0 C C1 2 0.3955 0.0000 0.3274 1.0 ]
Carbon-24
C-9592-5537-24
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 [4.6399] _cell_length_b [4.9644] _cell_length_c [4.1153] _cell_angle_alpha [90.0000] _cell_angle_beta [106.9068] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.6957] _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 0.0950 0.2599 0.8821 1.0 C C1 4 0.0277 0.0000 0.3274 1.0 C C2 4 0.1152 0.5000 0.6689 1.0 ]
Carbon-24
C-104334-7299-44
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 [3.6534] _cell_length_b [4.5508] _cell_length_c [8.2387] _cell_angle_alpha [98.8482] _cell_angle_beta [94.8733] _cell_angle_gamma [97.7093] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [133.3423] _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 0.1617 0.3046 0.2511 1.0 C C1 1 0.1623 0.7857 0.2514 1.0 C C2 1 0.2072 0.9661 0.7737 1.0 C C3 1 0.2074 0.6392 0.7739 1.0 C C4 1 0.2930 0.0757 0.3133 1.0 C C5 1 0.3246 0.5841 0.3292 1.0 C C6 1 0.4341 0.5287 0.8927 1.0 C C7 1 0.4345 0.1962 0.8934 1.0 C C8 1 0.5708 0.1413 0.4468 1.0 C C9 1 0.6003 0.6499 0.4635 1.0 C C10 1 0.6657 0.0851 0.0102 1.0 C C11 1 0.6658 0.7584 0.0104 1.0 C C12 1 0.7285 0.9396 0.5264 1.0 C C13 1 0.7300 0.4210 0.5262 1.0 C C14 1 0.8897 0.6365 0.1213 1.0 C C15 1 0.8910 0.3203 0.1214 1.0 C C16 1 0.9916 0.4044 0.6593 1.0 C C17 1 0.9932 0.0886 0.6593 1.0 ]
Carbon-24
C-92124-4005-36
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 [6.9479] _cell_length_b [2.4810] _cell_length_c [4.2215] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7794] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0281] _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 0.0610 0.0000 0.6862 1.0 C C2 4 0.2404 0.5000 0.3892 1.0 ]
Carbon-24
C-176661-8591-46
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 [6.9466] _cell_length_b [2.4816] _cell_length_c [4.2196] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9681] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9330] _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 0.0168 0.5000 0.6823 1.0 C C1 4 0.0616 0.0000 0.1868 1.0 C C2 4 0.2397 0.5000 0.8889 1.0 ]
Carbon-24
C-72701-1899-2
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 [10.5485] _cell_length_b [4.8375] _cell_length_c [2.9493] _cell_angle_alpha [90.0000] _cell_angle_beta [102.1053] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [147.1508] _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 8 0.1217 0.2593 0.2403 1.0 C C1 4 0.0000 0.3501 0.0000 1.0 C C2 4 0.1776 0.0000 0.3543 1.0 C C3 4 0.1953 0.5000 0.3849 1.0 ]
Carbon-24
C-176679-1286-38
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 [3.5166] _cell_length_b [3.5166] _cell_length_c [3.5166] _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 [43.4869] _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-102915-7408-31
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 [4.2047] _cell_length_b [2.4309] _cell_length_c [3.0840] _cell_angle_alpha [90.0000] _cell_angle_beta [114.0441] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.7874] _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 0.1661 0.0000 0.4986 1.0 ]
Carbon-24
C-76008-2415-39
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 [12.3738] _cell_length_b [2.4631] _cell_length_c [4.9877] _cell_angle_alpha [90.0000] _cell_angle_beta [108.7405] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [143.9565] _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 0.0224 0.5000 0.9385 1.0 C C1 2 0.0876 0.0000 0.0646 1.0 C C2 2 0.0949 0.0000 0.4133 1.0 C C3 2 0.1585 0.5000 0.5142 1.0 C C4 2 0.2062 0.0000 0.0768 1.0 C C5 2 0.2631 0.5000 0.1153 1.0 C C6 2 0.2729 0.5000 0.5928 1.0 C C7 2 0.3406 0.0000 0.6719 1.0 C C8 2 0.3869 0.5000 0.1442 1.0 C C9 2 0.4081 0.0000 0.9946 1.0 C C10 2 0.4581 0.0000 0.6078 1.0 C C11 2 0.4741 0.5000 0.4484 1.0 ]
Carbon-24
C-90796-891-29
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 [P-1] _cell_length_a [3.7847] _cell_length_b [4.1944] _cell_length_c [4.2965] _cell_angle_alpha [113.1482] _cell_angle_beta [90.8401] _cell_angle_gamma [108.5669] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.6795] _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 0.0669 0.1830 0.1159 1.0 C C1 2 0.0924 0.6885 0.5922 1.0 C C2 2 0.3776 0.4996 0.1209 1.0 C C3 2 0.3800 0.8165 0.4315 1.0 ]
Carbon-24
C-96663-8819-13
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] _cell_length_a [2.4391] _cell_length_b [4.2287] _cell_length_c [6.5240] _cell_angle_alpha [90.0000] _cell_angle_beta [100.7633] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [3] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [66.1067] _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 0.0613 0.6818 0.6228 1.0 C C1 2 0.0891 0.3427 0.6899 1.0 C C2 2 0.2720 0.7909 0.0525 1.0 C C3 2 0.3957 0.8355 0.2816 1.0 C C4 2 0.4055 0.1853 0.2972 1.0 ]
Carbon-24
C-96672-9795-27
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 [Pmma] _cell_length_a [2.4831] _cell_length_b [6.3588] _cell_length_c [3.6306] _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 '[C10]' _cell_volume [57.3265] _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 4 0.2500 0.1241 0.6196 1.0 C C1 4 0.2500 0.3050 0.8805 1.0 C C2 2 0.2500 0.5000 0.6246 1.0 ]
Carbon-24
C-9620-6892-54
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 [2.4302] _cell_length_b [4.1957] _cell_length_c [2.9791] _cell_angle_alpha [90.0000] _cell_angle_beta [110.2271] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.5034] _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 0.0000 0.1673 0.0000 1.0 ]
Carbon-24
C-176685-9184-37
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 [3.4297] _cell_length_b [3.5473] _cell_length_c [4.1486] _cell_angle_alpha [77.0794] _cell_angle_beta [78.5632] _cell_angle_gamma [62.9086] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.5254] _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 0.0188 0.1355 0.3465 1.0 C C1 2 0.3646 0.4804 0.6545 1.0 C C2 2 0.4215 0.9208 0.1554 1.0 ]
Carbon-24
C-73631-2702-49
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 [2.4285] _cell_length_c [3.2037] _cell_angle_alpha [90.0000] _cell_angle_beta [119.9335] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.3214] _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 0.1652 0.5000 0.9977 1.0 ]
Carbon-24
C-96682-5217-47
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 [2.4247] _cell_length_b [2.4244] _cell_length_c [2.9694] _cell_angle_alpha [95.1347] _cell_angle_beta [100.4634] _cell_angle_gamma [119.9305] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.5400] _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 0.3334 0.1666 0.5000 1.0 ]
Carbon-24
C-53820-5674-34
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 [2.4848] _cell_length_b [4.1746] _cell_length_c [5.6476] _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 [58.5833] _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 0.1822 0.0042 1.0 C C1 2 0.0000 0.3118 0.5074 1.0 C C2 2 0.0000 0.3376 0.7717 1.0 C C3 2 0.5000 0.1833 0.3870 1.0 C C4 2 0.5000 0.3133 0.1343 1.0 ]
Carbon-24
C-157717-1262-39
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 [6.1887] _cell_length_b [2.4522] _cell_length_c [9.4098] _cell_angle_alpha [90.0000] _cell_angle_beta [96.2367] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [141.9550] _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 0.1003 0.5000 0.9773 1.0 C C1 4 0.1928 0.0000 0.9084 1.0 C C2 4 0.2047 0.0000 0.7553 1.0 C C3 4 0.2152 0.5000 0.6839 1.0 C C4 4 0.2380 0.5000 0.5352 1.0 ]
Carbon-24
C-176654-3153-49
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 [10.8908] _cell_length_b [2.4481] _cell_length_c [5.3179] _cell_angle_alpha [90.0000] _cell_angle_beta [117.6775] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [125.5611] _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 0.0049 0.5000 0.2568 1.0 C C1 4 0.0645 0.0000 0.8171 1.0 C C2 4 0.1568 0.5000 0.3752 1.0 C C3 4 0.2154 0.0000 0.0194 1.0 C C4 4 0.2184 0.0000 0.3093 1.0 ]
Carbon-24
C-9646-232-63
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 [9.0179] _cell_length_b [2.4846] _cell_length_c [4.0868] _cell_angle_alpha [90.0000] _cell_angle_beta [96.9350] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.8977] _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 0.0564 0.0000 0.8777 1.0 C C1 4 0.0577 0.5000 0.6533 1.0 C C2 4 0.2137 0.0000 0.0594 1.0 C C3 4 0.2282 0.5000 0.5851 1.0 ]
Carbon-24
C-152587-3980-5
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 [4.9807] _cell_length_b [4.2648] _cell_length_c [5.5682] _cell_angle_alpha [90.0000] _cell_angle_beta [90.4407] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [118.2742] _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 8 0.0143 0.3191 0.7658 1.0 C C1 8 0.2409 0.1811 0.6229 1.0 C C2 4 0.0000 0.1574 0.0000 1.0 ]
Carbon-24
C-177280-5724-23
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 [P1] _cell_length_a [2.4588] _cell_length_b [5.7760] _cell_length_c [6.8451] _cell_angle_alpha [107.0719] _cell_angle_beta [96.5567] _cell_angle_gamma [92.7787] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [91.9801] _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 0.0502 0.9227 0.6824 1.0 C C1 1 0.0792 0.7908 0.8406 1.0 C C2 1 0.0943 0.5298 0.7386 1.0 C C3 1 0.2177 0.4342 0.9346 1.0 C C4 1 0.4265 0.6677 0.1033 1.0 C C5 1 0.4459 0.4371 0.3716 1.0 C C6 1 0.4511 0.6858 0.3295 1.0 C C7 1 0.5167 0.1851 0.5538 1.0 C C8 1 0.5432 0.4495 0.6072 1.0 C C9 1 0.5827 0.0797 0.7212 1.0 C C10 1 0.6003 0.8577 0.9899 1.0 C C11 1 0.6960 0.2685 0.9268 1.0 C C12 1 0.7316 0.1296 0.0771 1.0 C C13 1 0.9011 0.2683 0.2913 1.0 C C14 1 0.9677 0.0980 0.4284 1.0 C C15 1 0.9788 0.8282 0.4318 1.0 ]
Carbon-24
C-90811-1769-2
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 [3.3076] _cell_length_b [4.2780] _cell_length_c [5.4199] _cell_angle_alpha [79.0078] _cell_angle_beta [78.5825] _cell_angle_gamma [73.8580] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [71.4556] _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 0.0356 0.6843 0.2505 1.0 C C1 1 0.1023 0.8384 0.5041 1.0 C C2 1 0.1460 0.6019 0.7506 1.0 C C3 1 0.3427 0.7088 0.9630 1.0 C C4 1 0.3906 0.0787 0.3971 1.0 C C5 1 0.3927 0.0408 0.9686 1.0 C C6 1 0.5353 0.2926 0.7546 1.0 C C7 1 0.6832 0.9797 0.1671 1.0 C C8 1 0.7106 0.1524 0.5211 1.0 C C9 1 0.7661 0.4674 0.8839 1.0 C C10 1 0.9533 0.2208 0.0852 1.0 C C11 1 0.9977 0.3384 0.3195 1.0 ]
Carbon-24
C-13893-8599-30
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 [C2/m] _cell_length_a [3.6237] _cell_length_b [8.9288] _cell_length_c [2.8334] _cell_angle_alpha [90.0000] _cell_angle_beta [97.5556] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [90.8779] _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 0.1905 0.1731 0.0003 1.0 C C1 4 0.0000 0.4229 0.0000 1.0 ]
Carbon-24
C-150699-6622-10
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 [2.4564] _cell_length_b [7.1126] _cell_length_c [7.7302] _cell_angle_alpha [63.4910] _cell_angle_beta [80.9977] _cell_angle_gamma [83.5545] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [119.2304] _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 0.0084 0.0942 0.3693 1.0 C C1 1 0.0669 0.5241 0.7559 1.0 C C2 1 0.1382 0.8697 0.3887 1.0 C C3 1 0.2016 0.4201 0.6114 1.0 C C4 1 0.2729 0.1804 0.7037 1.0 C C5 1 0.3107 0.8732 0.1791 1.0 C C6 1 0.3917 0.4384 0.2482 1.0 C C7 1 0.4136 0.0954 0.0576 1.0 C C8 1 0.4153 0.4960 0.0323 1.0 C C9 1 0.4187 0.7297 0.8781 1.0 C C10 1 0.4668 0.1991 0.3564 1.0 C C11 1 0.5463 0.6640 0.7077 1.0 C C12 1 0.6311 0.7508 0.4896 1.0 C C13 1 0.7226 0.5262 0.4895 1.0 C C14 1 0.7836 0.0726 0.7752 1.0 C C15 1 0.8416 0.5404 0.2840 1.0 C C16 1 0.8456 0.7755 0.1382 1.0 C C17 1 0.8675 0.8341 0.9093 1.0 C C18 1 0.9041 0.1943 0.0427 1.0 C C19 1 0.9545 0.4154 0.9733 1.0 ]
Carbon-24
C-34643-7107-42
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 [4.0602] _cell_length_b [2.4876] _cell_length_c [4.6945] _cell_angle_alpha [90.0000] _cell_angle_beta [106.0116] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.5754] _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 0.1660 0.0000 0.9650 1.0 C C1 2 0.1742 0.0000 0.6177 1.0 C C2 2 0.3673 0.5000 0.0795 1.0 C C3 2 0.3995 0.5000 0.6127 1.0 ]
Carbon-24
C-157691-3994-32
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 [2.4542] _cell_length_b [4.4712] _cell_length_c [7.0510] _cell_angle_alpha [87.3919] _cell_angle_beta [80.9360] _cell_angle_gamma [75.7866] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [74.0675] _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 0.0469 0.0823 0.2947 1.0 C C1 2 0.0529 0.2478 0.1284 1.0 C C2 2 0.2900 0.4322 0.4819 1.0 C C3 2 0.4684 0.6297 0.9423 1.0 C C4 2 0.4851 0.1027 0.4111 1.0 ]
Carbon-24
C-80191-3962-6
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 [4.8372] _cell_length_b [4.8767] _cell_length_c [4.2519] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0555] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [100.3018] _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 0.1259 0.2531 0.5805 1.0 C C1 8 0.1389 0.3283 0.9161 1.0 ]
Carbon-24
C-189709-289-43
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 [2.4409] _cell_length_b [2.5491] _cell_length_c [6.4786] _cell_angle_alpha [79.3729] _cell_angle_beta [89.1751] _cell_angle_gamma [87.1460] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [39.5699] _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 0.0014 0.7262 0.0519 1.0 C C1 2 0.0031 0.6143 0.2812 1.0 C C2 2 0.4996 0.4418 0.6107 1.0 ]
Carbon-24
C-170898-6159-52
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 [2.4280] _cell_length_b [2.4280] _cell_length_c [8.4097] _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 [42.9341] _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 0.3340 1.0 ]
Carbon-24
C-57133-9728-38
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 [17.3560] _cell_length_b [2.4389] _cell_length_c [4.1694] _cell_angle_alpha [90.0000] _cell_angle_beta [91.0765] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [176.4568] _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 0.0074 0.0000 0.6557 1.0 C C1 4 0.0229 0.5000 0.8428 1.0 C C2 4 0.1074 0.5000 0.9253 1.0 C C3 4 0.1455 0.0000 0.9450 1.0 C C4 4 0.2313 0.0000 0.9277 1.0 C C5 4 0.2467 0.0000 0.5806 1.0 ]
Carbon-24
C-73671-1897-10
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 [6.9012] _cell_length_b [2.4564] _cell_length_c [6.4466] _cell_angle_alpha [90.0000] _cell_angle_beta [107.0704] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [104.4667] _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 0.0035 0.5000 0.1238 1.0 C C1 4 0.1273 0.0000 0.2108 1.0 C C2 4 0.2212 0.5000 0.9273 1.0 C C3 4 0.2263 0.0000 0.4468 1.0 ]
Carbon-24
C-172967-546-37
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 [6.9500] _cell_length_b [2.4797] _cell_length_c [4.2201] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6590] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0287] _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 0.0175 0.0000 0.6827 1.0 C C1 4 0.0609 0.5000 0.1860 1.0 C C2 4 0.2411 0.0000 0.8890 1.0 ]
Carbon-24
C-13919-5282-28
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 [5.6129] _cell_length_b [8.2692] _cell_length_c [2.4938] _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 [115.7462] _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 8 0.1364 0.0921 0.0000 1.0 C C1 8 0.2436 0.3416 0.5000 1.0 C C2 4 0.0000 0.4157 0.5000 1.0 ]
Carbon-24
C-136210-9760-32
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 [4.2150] _cell_length_b [2.4212] _cell_length_c [3.0739] _cell_angle_alpha [90.0000] _cell_angle_beta [112.9513] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.8873] _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 0.4993 1.0 ]
Carbon-24
C-176683-1873-9
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 [3.5166] _cell_length_b [3.5166] _cell_length_c [3.5166] _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 [43.4881] _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-152601-7805-20
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 [2.5341] _cell_length_b [2.4550] _cell_length_c [6.3835] _cell_angle_alpha [90.0000] _cell_angle_beta [97.0597] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [39.4129] _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 0.2677 0.5000 0.0518 1.0 C C1 2 0.3642 0.5000 0.2832 1.0 C C2 2 0.4317 0.0000 0.3896 1.0 ]
Carbon-24
C-80195-4794-23
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 [2.4720] _cell_length_b [2.4720] _cell_length_c [4.1177] _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 [21.7918] _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 0.0625 1.0 ]
Carbon-24
C-72716-3406-31
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 [C2/m] _cell_length_a [6.9474] _cell_length_b [2.4813] _cell_length_c [4.2173] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8362] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9424] _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 0.0170 0.0000 0.6824 1.0 C C1 4 0.0611 0.5000 0.1866 1.0 C C2 4 0.2402 0.0000 0.8888 1.0 ]
Carbon-24
C-102875-8418-52
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 [8.0951] _cell_length_b [2.4322] _cell_length_c [5.9651] _cell_angle_alpha [90.0000] _cell_angle_beta [128.7872] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [91.5453] _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 0.0383 0.0000 0.7847 1.0 C C1 4 0.0763 0.5000 0.9678 1.0 C C2 4 0.1890 0.0000 0.4968 1.0 C C3 4 0.2063 0.0000 0.7559 1.0 ]
Carbon-24
C-13911-8164-43
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 [C2/m] _cell_length_a [6.9483] _cell_length_b [2.4816] _cell_length_c [4.2222] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8069] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0507] _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 0.0186 0.0000 0.1825 1.0 C C1 4 0.0597 0.5000 0.6865 1.0 C C2 4 0.2389 0.0000 0.3894 1.0 ]
Carbon-24
C-13691-2934-46
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 [2.5272] _cell_length_b [4.2987] _cell_length_c [4.7102] _cell_angle_alpha [68.4046] _cell_angle_beta [78.0848] _cell_angle_gamma [84.9496] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [46.5500] _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 0.0157 0.6365 0.5650 1.0 C C1 2 0.0729 0.4441 0.8867 1.0 C C2 2 0.2689 0.0911 0.9132 1.0 C C3 2 0.4504 0.1477 0.5545 1.0 ]
Carbon-24
C-136247-3248-43
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 [2.4773] _cell_length_b [2.4773] _cell_length_c [18.4403] _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 [98.0097] _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 0.0414 1.0 C C1 6 0.0000 0.0000 0.1808 1.0 C C2 6 0.0000 0.0000 0.2641 1.0 ]
Carbon-24
C-176685-9184-46
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 [2.7052] _cell_length_b [3.6427] _cell_length_c [4.8132] _cell_angle_alpha [112.1200] _cell_angle_beta [91.1928] _cell_angle_gamma [95.6117] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.6427] _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 0.0000 0.4227 0.3455 1.0 C C1 2 0.0009 0.0179 0.1532 1.0 C C2 2 0.0010 0.6353 0.1533 1.0 ]
Carbon-24
C-28264-8801-10
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 [4.3982] _cell_length_b [7.3226] _cell_length_c [4.2019] _cell_angle_alpha [90.0000] _cell_angle_beta [90.5533] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [135.3208] _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 8 0.1402 0.2071 0.9195 1.0 C C1 8 0.1628 0.1707 0.5734 1.0 C C2 4 0.1535 0.5000 0.4733 1.0 ]
Carbon-24
C-189748-4840-35
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 [2.8287] _cell_length_b [3.6262] _cell_length_c [4.8156] _cell_angle_alpha [67.8772] _cell_angle_beta [83.6683] _cell_angle_gamma [84.3614] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [45.3929] _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 0.4983 0.8637 0.1546 1.0 C C1 2 0.4992 0.4825 0.1544 1.0 C C2 2 0.4996 0.0773 0.3452 1.0 ]
Carbon-24
C-172971-7940-1
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 [4.2064] _cell_length_b [2.4316] _cell_length_c [3.1873] _cell_angle_alpha [90.0000] _cell_angle_beta [120.6589] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.0435] _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 0.1653 0.5000 0.4960 1.0 ]
Carbon-24
C-157715-9420-2
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 [8.7774] _cell_length_b [2.4525] _cell_length_c [4.1144] _cell_angle_alpha [90.0000] _cell_angle_beta [96.8841] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [87.9302] _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 0.0138 0.0000 0.1598 1.0 C C1 4 0.0441 0.5000 0.3514 1.0 C C2 4 0.2159 0.5000 0.4739 1.0 ]
Carbon-24
C-40100-7984-28
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 [2.4774] _cell_length_b [2.4774] _cell_length_c [18.4398] _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 [98.0104] _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 0.0410 1.0 C C1 6 0.0000 0.0000 0.1810 1.0 C C2 6 0.0000 0.0000 0.2641 1.0 ]
Carbon-24
C-126136-4977-23
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 [3.7828] _cell_length_b [2.4827] _cell_length_c [7.2019] _cell_angle_alpha [90.0000] _cell_angle_beta [98.9027] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [66.8221] _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 0.0768 0.2500 0.5381 1.0 C C1 2 0.1914 0.7500 0.9436 1.0 C C2 2 0.2235 0.2500 0.0675 1.0 C C3 2 0.3435 0.2500 0.6856 1.0 C C4 2 0.4357 0.7500 0.7919 1.0 ]
Carbon-24
C-40134-7379-39
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 [6.9510] _cell_length_b [2.4817] _cell_length_c [4.2179] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6586] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0620] _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 0.0178 0.5000 0.6826 1.0 C C1 4 0.0604 0.0000 0.1862 1.0 C C2 4 0.2404 0.5000 0.8889 1.0 ]
Carbon-24
C-56495-4082-46
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 [2.5086] _cell_length_b [3.9413] _cell_length_c [4.7766] _cell_angle_alpha [86.7810] _cell_angle_beta [81.6621] _cell_angle_gamma [80.0169] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.9974] _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 0.0545 0.1356 0.8769 1.0 C C1 2 0.2367 0.9495 0.5934 1.0 C C2 2 0.4255 0.5801 0.6217 1.0 C C3 2 0.4900 0.6235 0.1187 1.0 ]
Carbon-24
C-145340-6787-32
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 [P6_3/mmc] _cell_length_a [2.4737] _cell_length_b [2.4737] _cell_length_c [4.1195] _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 [21.8301] _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 0.9355 1.0 ]
Carbon-24
C-107717-3127-38
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 [C2/m] _cell_length_a [4.2056] _cell_length_b [2.4290] _cell_length_c [3.0478] _cell_angle_alpha [90.0000] _cell_angle_beta [110.7577] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.1139] _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 0.4987 1.0 ]
Carbon-24
C-107717-3127-49
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/m] _cell_length_a [8.5154] _cell_length_b [4.7531] _cell_length_c [5.5256] _cell_angle_alpha [90.0000] _cell_angle_beta [129.2399] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [173.2151] _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 0.0355 0.2384 0.7859 1.0 C C1 8 0.1703 0.1541 0.4199 1.0 C C2 4 0.1275 0.5000 0.8772 1.0 C C3 4 0.1598 0.0000 0.9113 1.0 ]
Carbon-24
C-157691-3994-11
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 [6.3034] _cell_length_b [2.4667] _cell_length_c [5.2488] _cell_angle_alpha [90.0000] _cell_angle_beta [90.9023] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.6016] _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 0.1136 0.5000 0.5376 1.0 C C1 4 0.2043 0.0000 0.6624 1.0 C C2 4 0.2412 0.0000 0.9373 1.0 ]
Carbon-24
C-189700-5976-30
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 [C2/m] _cell_length_a [6.9491] _cell_length_b [2.4811] _cell_length_c [4.2169] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7373] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9797] _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 0.0187 0.0000 0.6826 1.0 C C1 4 0.0595 0.5000 0.1864 1.0 C C2 4 0.2394 0.0000 0.8887 1.0 ]
Carbon-24
C-96684-2672-5
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 [2.4200] _cell_length_b [2.4291] _cell_length_c [3.0081] _cell_angle_alpha [105.9571] _cell_angle_beta [92.8581] _cell_angle_gamma [119.7903] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.3814] _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 0.3330 0.1660 0.0009 1.0 ]
Carbon-24
C-141043-2496-23
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 [7.1892] _cell_length_b [2.4639] _cell_length_c [7.9249] _cell_angle_alpha [90.0000] _cell_angle_beta [113.7125] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [128.5267] _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 0.0662 0.5000 0.8630 1.0 C C1 4 0.0897 0.0000 0.9800 1.0 C C2 4 0.1802 0.5000 0.2545 1.0 C C3 4 0.2385 0.5000 0.4548 1.0 C C4 4 0.2474 0.0000 0.1795 1.0 ]
Carbon-24
C-80155-5756-52
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 [6.9051] _cell_length_b [2.4564] _cell_length_c [6.5255] _cell_angle_alpha [90.0000] _cell_angle_beta [108.6408] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [104.8763] _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 0.0070 0.5000 0.1225 1.0 C C1 4 0.1329 0.0000 0.2098 1.0 C C2 4 0.2187 0.5000 0.9272 1.0 C C3 4 0.2283 0.0000 0.4468 1.0 ]
Carbon-24
C-53818-5632-35
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 [Cmcm] _cell_length_a [6.1475] _cell_length_b [5.6496] _cell_length_c [2.4225] _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 [84.1346] _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 0.2016 0.2779 0.2500 1.0 C C1 4 0.0000 0.4209 0.2500 1.0 ]
Carbon-24
C-40091-1213-7
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 [6.9471] _cell_length_b [2.4802] _cell_length_c [4.2176] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7195] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9525] _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 0.1826 1.0 C C1 4 0.0600 0.0000 0.6863 1.0 C C2 4 0.2400 0.5000 0.3890 1.0 ]
Carbon-24
C-172941-6659-36
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 [6.0133] _cell_length_b [5.8795] _cell_length_c [2.4255] _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 [85.7531] _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 0.2035 0.2190 0.2500 1.0 C C1 4 0.0000 0.0755 0.2500 1.0 ]
Carbon-24
C-152591-5216-36
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 [8.6501] _cell_length_b [2.4559] _cell_length_c [8.1680] _cell_angle_alpha [90.0000] _cell_angle_beta [121.0483] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [148.6615] _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 0.0065 0.0000 0.9103 1.0 C C1 4 0.0382 0.0000 0.4441 1.0 C C2 4 0.0611 0.5000 0.2052 1.0 C C3 4 0.0641 0.5000 0.3730 1.0 C C4 4 0.2072 0.0000 0.9835 1.0 ]
Carbon-24
C-28230-7089-27
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 [C2/m] _cell_length_a [5.6754] _cell_length_b [3.6499] _cell_length_c [4.2678] _cell_angle_alpha [90.0000] _cell_angle_beta [105.0091] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [85.3908] _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 0.1716 0.1927 0.3467 1.0 C C1 4 0.0777 0.5000 0.1567 1.0 ]
Carbon-24
C-57111-4456-17
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 [Pmm2] _cell_length_a [2.5690] _cell_length_b [7.6233] _cell_length_c [4.9455] _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 '[C16]' _cell_volume [96.8560] _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 2 0.0000 0.0891 0.1298 1.0 C C1 2 0.0000 0.0906 0.6271 1.0 C C2 2 0.0000 0.1700 0.8763 1.0 C C3 2 0.0000 0.2054 0.3788 1.0 C C4 2 0.0000 0.3567 0.9134 1.0 C C5 2 0.5000 0.3266 0.3547 1.0 C C6 2 0.5000 0.4021 0.0745 1.0 C C7 1 0.0000 0.5000 0.7013 1.0 C C8 1 0.5000 0.5000 0.5333 1.0 ]
Carbon-24
C-34627-4459-50
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 [C2/m] _cell_length_a [5.8955] _cell_length_b [4.3403] _cell_length_c [4.8191] _cell_angle_alpha [90.0000] _cell_angle_beta [105.0228] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [119.0970] _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 0.0788 0.3367 0.6434 1.0 C C1 8 0.1918 0.1617 0.8752 1.0 ]
Carbon-24
C-40128-4097-20
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 [R-3m] _cell_length_a [2.4777] _cell_length_b [2.4777] _cell_length_c [18.4333] _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 [98.0024] _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 0.0412 1.0 C C1 6 0.0000 0.0000 0.1807 1.0 C C2 6 0.0000 0.0000 0.2643 1.0 ]
Carbon-24
C-107734-9364-54
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 [2.5233] _cell_length_b [4.3068] _cell_length_c [4.4546] _cell_angle_alpha [103.0803] _cell_angle_beta [97.5878] _cell_angle_gamma [94.6723] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [46.4283] _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 0.0638 0.8591 0.0760 1.0 C C1 2 0.2368 0.0382 0.4163 1.0 C C2 2 0.4275 0.3713 0.3853 1.0 C C3 2 0.4750 0.3411 0.0446 1.0 ]
Carbon-24
C-47642-4937-56
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 [2.4472] _cell_length_b [6.3600] _cell_length_c [7.2316] _cell_angle_alpha [80.7008] _cell_angle_beta [88.7683] _cell_angle_gamma [83.7526] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [110.4129] _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 0.0230 0.6947 0.3856 1.0 C C1 1 0.2257 0.2767 0.2469 1.0 C C2 1 0.3268 0.2121 0.0479 1.0 C C3 1 0.3270 0.0424 0.2133 1.0 C C4 1 0.3364 0.7536 0.9748 1.0 C C5 1 0.3365 0.5878 0.8668 1.0 C C6 1 0.4052 0.0713 0.7007 1.0 C C7 1 0.4599 0.9112 0.5845 1.0 C C8 1 0.5734 0.5686 0.3657 1.0 C C9 1 0.6790 0.3789 0.3006 1.0 C C10 1 0.8327 0.8127 0.0449 1.0 C C11 1 0.8397 0.2525 0.9291 1.0 C C12 1 0.8509 0.4842 0.8542 1.0 C C13 1 0.8662 0.9079 0.2159 1.0 C C14 1 0.8816 0.1307 0.7709 1.0 C C15 1 0.9871 0.8262 0.5364 1.0 ]
Carbon-24
C-92160-9421-10
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 [2.4546] _cell_length_b [4.7757] _cell_length_c [7.0280] _cell_angle_alpha [82.2050] _cell_angle_beta [81.8703] _cell_angle_gamma [79.3043] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [79.6328] _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 0.0266 0.9576 0.9649 1.0 C C1 1 0.0660 0.2583 0.6340 1.0 C C2 1 0.1273 0.9516 0.7436 1.0 C C3 1 0.1764 0.6489 0.0449 1.0 C C4 1 0.1928 0.5156 0.2421 1.0 C C5 1 0.2890 0.1837 0.2343 1.0 C C6 1 0.3366 0.4321 0.9057 1.0 C C7 1 0.4265 0.1273 0.0209 1.0 C C8 1 0.6198 0.2963 0.5086 1.0 C C9 1 0.6407 0.5654 0.3720 1.0 C C10 1 0.7110 0.8079 0.4669 1.0 C C11 1 0.7188 0.7894 0.6806 1.0 C C12 1 0.7510 0.0870 0.3569 1.0 C C13 1 0.8701 0.4775 0.7768 1.0 ]
Carbon-24
C-172961-4783-9
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 [4.6629] _cell_length_b [4.9923] _cell_length_c [5.4121] _cell_angle_alpha [90.0000] _cell_angle_beta [103.0260] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [122.7461] _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 0.1945 0.2608 0.8974 1.0 C C1 4 0.4890 0.2408 0.0729 1.0 C C2 2 0.0799 0.0000 0.7371 1.0 C C3 2 0.1000 0.0000 0.2208 1.0 C C4 2 0.1989 0.0000 0.5054 1.0 C C5 2 0.2312 0.5000 0.7326 1.0 C C6 2 0.4474 0.0000 0.2256 1.0 C C7 2 0.4900 0.0000 0.5050 1.0 ]
Carbon-24
C-28224-863-14
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 [7.1861] _cell_length_b [2.4632] _cell_length_c [7.9241] _cell_angle_alpha [90.0000] _cell_angle_beta [113.7226] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [128.4115] _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 0.0655 0.0000 0.3626 1.0 C C1 4 0.0887 0.5000 0.4796 1.0 C C2 4 0.1802 0.0000 0.7544 1.0 C C3 4 0.2409 0.0000 0.9551 1.0 C C4 4 0.2461 0.5000 0.6792 1.0 ]
Carbon-24
C-28232-5757-44
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 [Fmmm] _cell_length_a [2.4279] _cell_length_b [4.2059] _cell_length_c [5.6686] _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 '[C8]' _cell_volume [57.8842] _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 0.1675 0.0000 1.0 ]
Carbon-24
C-56475-1508-55
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 [7.2320] _cell_length_b [2.4842] _cell_length_c [5.2233] _cell_angle_alpha [90.0000] _cell_angle_beta [99.3185] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.6022] _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 0.0270 0.0000 0.1432 1.0 C C1 4 0.1010 0.5000 0.5286 1.0 C C2 4 0.1378 0.5000 0.2495 1.0 C C3 4 0.1478 0.0000 0.6942 1.0 ]