# generated using pymatgen data_Th6Co17MoP12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82677655 _cell_length_b 10.57489076 _cell_length_c 12.40215008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th6Co17MoP12 _chemical_formula_sum 'Th6 Co17 Mo1 P12' _cell_volume 501.88703452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.52065353 1.0 Th Th1 1 0.50000000 0.00000000 0.48189250 1.0 Th Th2 1 0.50000000 0.81740200 0.20794493 1.0 Th Th3 1 0.50000000 0.18259800 0.20794493 1.0 Th Th4 1 0.00000000 0.68569460 0.79310225 1.0 Th Th5 1 0.00000000 0.31430540 0.79310225 1.0 Co Co6 1 0.00000000 0.00000000 0.85115528 1.0 Co Co7 1 0.50000000 0.50000000 0.70277736 1.0 Co Co8 1 0.00000000 0.00000000 0.29704624 1.0 Co Co9 1 0.00000000 0.50000000 0.98403948 1.0 Co Co10 1 0.50000000 0.00000000 0.01534046 1.0 Co Co11 1 0.50000000 0.33327207 0.99086727 1.0 Co Co12 1 0.50000000 0.66672793 0.99086727 1.0 Co Co13 1 0.00000000 0.16776542 0.00498650 1.0 Co Co14 1 0.00000000 0.83223458 0.00498650 1.0 Co Co15 1 0.50000000 0.30149042 0.42680061 1.0 Co Co16 1 0.50000000 0.69850958 0.42680061 1.0 Co Co17 1 0.00000000 0.19908305 0.57289103 1.0 Co Co18 1 0.00000000 0.80091695 0.57289103 1.0 Co Co19 1 0.50000000 0.88407992 0.71640574 1.0 Co Co20 1 0.50000000 0.11592008 0.71640574 1.0 Co Co21 1 0.00000000 0.61841566 0.28463587 1.0 Co Co22 1 0.00000000 0.38158434 0.28463587 1.0 Mo Mo23 1 0.50000000 0.50000000 0.14896597 1.0 P P24 1 0.50000000 0.50000000 0.88467198 1.0 P P25 1 0.00000000 0.00000000 0.11313656 1.0 P P26 1 0.50000000 0.50000000 0.33945873 1.0 P P27 1 0.00000000 0.00000000 0.66509997 1.0 P P28 1 0.50000000 0.30379724 0.61150517 1.0 P P29 1 0.50000000 0.69620276 0.61150517 1.0 P P30 1 0.00000000 0.19597430 0.38912159 1.0 P P31 1 0.00000000 0.80402570 0.38912159 1.0 P P32 1 0.50000000 0.84984901 0.89918292 1.0 P P33 1 0.50000000 0.15015099 0.89918292 1.0 P P34 1 0.00000000 0.65365092 0.10044058 1.0 P P35 1 0.00000000 0.34634908 0.10044058 1.0