# generated using pymatgen data_Th6TaCo17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82876100 _cell_length_b 10.63149665 _cell_length_c 12.39824752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th6TaCo17P12 _chemical_formula_sum 'Th6 Ta1 Co17 P12' _cell_volume 504.67636494 _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 0.52322712 1.0 Th Th1 1 0.50000000 0.00000000 0.48161561 1.0 Th Th2 1 0.50000000 0.81733984 0.20824111 1.0 Th Th3 1 0.50000000 0.18266016 0.20824111 1.0 Th Th4 1 0.00000000 0.68477956 0.79487289 1.0 Th Th5 1 0.00000000 0.31522044 0.79487289 1.0 Ta Ta6 1 0.50000000 0.50000000 0.14562953 1.0 Co Co7 1 0.00000000 0.00000000 0.84980629 1.0 Co Co8 1 0.50000000 0.50000000 0.70178547 1.0 Co Co9 1 0.00000000 0.00000000 0.29737109 1.0 Co Co10 1 0.00000000 0.50000000 0.98323089 1.0 Co Co11 1 0.50000000 0.00000000 0.01539774 1.0 Co Co12 1 0.50000000 0.32805590 0.99236258 1.0 Co Co13 1 0.50000000 0.67194410 0.99236258 1.0 Co Co14 1 0.00000000 0.16210490 0.00351673 1.0 Co Co15 1 0.00000000 0.83789510 0.00351673 1.0 Co Co16 1 0.50000000 0.30090640 0.42764932 1.0 Co Co17 1 0.50000000 0.69909360 0.42764932 1.0 Co Co18 1 0.00000000 0.19925767 0.57305617 1.0 Co Co19 1 0.00000000 0.80074233 0.57305617 1.0 Co Co20 1 0.50000000 0.88452671 0.71536965 1.0 Co Co21 1 0.50000000 0.11547329 0.71536965 1.0 Co Co22 1 0.00000000 0.61957360 0.28491887 1.0 Co Co23 1 0.00000000 0.38042640 0.28491887 1.0 P P24 1 0.50000000 0.50000000 0.88691875 1.0 P P25 1 0.00000000 0.00000000 0.11403475 1.0 P P26 1 0.50000000 0.50000000 0.34463144 1.0 P P27 1 0.00000000 0.00000000 0.66455092 1.0 P P28 1 0.50000000 0.30276746 0.61260951 1.0 P P29 1 0.50000000 0.69723254 0.61260951 1.0 P P30 1 0.00000000 0.19601173 0.38978619 1.0 P P31 1 0.00000000 0.80398827 0.38978619 1.0 P P32 1 0.50000000 0.85128203 0.89772882 1.0 P P33 1 0.50000000 0.14871797 0.89772882 1.0 P P34 1 0.00000000 0.65843217 0.09578735 1.0 P P35 1 0.00000000 0.34156783 0.09578735 1.0