# generated using pymatgen data_Th3V(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81824799 _cell_length_b 10.56070375 _cell_length_c 12.44767460 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3V(Co4P3)2 _chemical_formula_sum 'Th6 V2 Co16 P12' _cell_volume 501.93238564 _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 Th Th0 1 0.00000000 0.50000000 0.51970310 1.0 Th Th1 1 0.50000000 0.00000000 0.48029690 1.0 Th Th2 1 0.50000000 0.81641005 0.20833089 1.0 Th Th3 1 0.50000000 0.18358995 0.20833089 1.0 Th Th4 1 0.00000000 0.68358995 0.79166911 1.0 Th Th5 1 0.00000000 0.31641005 0.79166911 1.0 V V6 1 0.50000000 0.50000000 0.14652221 1.0 V V7 1 0.00000000 0.00000000 0.85347779 1.0 Co Co8 1 0.50000000 0.50000000 0.70321797 1.0 Co Co9 1 0.00000000 0.00000000 0.29678203 1.0 Co Co10 1 0.00000000 0.50000000 0.98444375 1.0 Co Co11 1 0.50000000 0.00000000 0.01555625 1.0 Co Co12 1 0.50000000 0.33219108 0.99231280 1.0 Co Co13 1 0.50000000 0.66780892 0.99231280 1.0 Co Co14 1 0.00000000 0.16780892 0.00768720 1.0 Co Co15 1 0.00000000 0.83219108 0.00768720 1.0 Co Co16 1 0.50000000 0.30092343 0.42729275 1.0 Co Co17 1 0.50000000 0.69907657 0.42729275 1.0 Co Co18 1 0.00000000 0.19907657 0.57270725 1.0 Co Co19 1 0.00000000 0.80092343 0.57270725 1.0 Co Co20 1 0.50000000 0.88234760 0.71597240 1.0 Co Co21 1 0.50000000 0.11765240 0.71597240 1.0 Co Co22 1 0.00000000 0.61765240 0.28402760 1.0 Co Co23 1 0.00000000 0.38234760 0.28402760 1.0 P P24 1 0.50000000 0.50000000 0.88605335 1.0 P P25 1 0.00000000 0.00000000 0.11394665 1.0 P P26 1 0.50000000 0.50000000 0.33895077 1.0 P P27 1 0.00000000 0.00000000 0.66104923 1.0 P P28 1 0.50000000 0.30353350 0.61084338 1.0 P P29 1 0.50000000 0.69646650 0.61084338 1.0 P P30 1 0.00000000 0.19646650 0.38915662 1.0 P P31 1 0.00000000 0.80353350 0.38915662 1.0 P P32 1 0.50000000 0.84830529 0.89781415 1.0 P P33 1 0.50000000 0.15169471 0.89781415 1.0 P P34 1 0.00000000 0.65169471 0.10218585 1.0 P P35 1 0.00000000 0.34830529 0.10218585 1.0