# generated using pymatgen data_ThCo(NiP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88321542 _cell_length_b 10.53363430 _cell_length_c 12.40343452 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThCo(NiP)2 _chemical_formula_sum 'Th6 Co6 Ni12 P12' _cell_volume 507.35468932 _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 Th Th0 1 0.00000000 0.50000000 0.51535322 1.0 Th Th1 1 0.50000000 0.00000000 0.48464678 1.0 Th Th2 1 0.50000000 0.81054605 0.20473776 1.0 Th Th3 1 0.50000000 0.18945395 0.20473776 1.0 Th Th4 1 0.00000000 0.68945395 0.79526224 1.0 Th Th5 1 0.00000000 0.31054605 0.79526224 1.0 Co Co6 1 0.00000000 0.50000000 0.97828842 1.0 Co Co7 1 0.50000000 0.00000000 0.02171158 1.0 Co Co8 1 0.50000000 0.33427731 0.99456301 1.0 Co Co9 1 0.50000000 0.66572269 0.99456301 1.0 Co Co10 1 0.00000000 0.16572269 0.00543699 1.0 Co Co11 1 0.00000000 0.83427731 0.00543699 1.0 Ni Ni12 1 0.50000000 0.30477274 0.42506114 1.0 Ni Ni13 1 0.50000000 0.69522726 0.42506114 1.0 Ni Ni14 1 0.00000000 0.19522726 0.57493886 1.0 Ni Ni15 1 0.00000000 0.80477274 0.57493886 1.0 Ni Ni16 1 0.50000000 0.88074936 0.71776526 1.0 Ni Ni17 1 0.50000000 0.11925064 0.71776526 1.0 Ni Ni18 1 0.00000000 0.61925064 0.28223474 1.0 Ni Ni19 1 0.00000000 0.38074936 0.28223474 1.0 Ni Ni20 1 0.50000000 0.50000000 0.15007638 1.0 Ni Ni21 1 0.00000000 0.00000000 0.84992362 1.0 Ni Ni22 1 0.50000000 0.50000000 0.69978266 1.0 Ni Ni23 1 0.00000000 0.00000000 0.30021734 1.0 P P24 1 0.50000000 0.30748702 0.61110906 1.0 P P25 1 0.50000000 0.69251298 0.61110906 1.0 P P26 1 0.00000000 0.19251298 0.38889094 1.0 P P27 1 0.00000000 0.80748702 0.38889094 1.0 P P28 1 0.50000000 0.50000000 0.88312807 1.0 P P29 1 0.00000000 0.00000000 0.11687193 1.0 P P30 1 0.50000000 0.84913080 0.90546527 1.0 P P31 1 0.50000000 0.15086920 0.90546527 1.0 P P32 1 0.00000000 0.65086920 0.09453473 1.0 P P33 1 0.00000000 0.34913080 0.09453473 1.0 P P34 1 0.50000000 0.50000000 0.33025995 1.0 P P35 1 0.00000000 0.00000000 0.66974005 1.0