# generated using pymatgen data_Th5Nb3(Co4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.24154261 _cell_length_b 12.24154266 _cell_length_c 3.82500967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5Nb3(Co4P3)4 _chemical_formula_sum 'Th5 Nb3 Co16 P12' _cell_volume 496.40423744 _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 0.81190051 0.00000000 0.50000000 1.0 Th Th1 1 0.00000000 0.81190051 0.50000000 1.0 Th Th2 1 0.18809949 0.18809949 0.50000000 1.0 Th Th3 1 0.33333300 0.66666700 0.00000000 1.0 Th Th4 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb5 1 0.43245288 0.00000000 0.00000000 1.0 Nb Nb6 1 0.00000000 0.43245288 0.00000000 1.0 Nb Nb7 1 0.56754712 0.56754712 0.00000000 1.0 Co Co8 1 0.27806990 1.00000000 0.50000000 1.0 Co Co9 1 1.00000000 0.27806990 0.50000000 1.0 Co Co10 1 0.72193010 0.72193010 0.50000000 1.0 Co Co11 1 0.62239638 0.80670099 0.00000000 1.0 Co Co12 1 0.19329901 0.81569639 0.00000000 1.0 Co Co13 1 0.18430361 0.37760362 0.00000000 1.0 Co Co14 1 0.37760362 0.18430361 0.00000000 1.0 Co Co15 1 0.80670099 0.62239638 0.00000000 1.0 Co Co16 1 0.81569639 0.19329901 0.00000000 1.0 Co Co17 1 0.51210547 0.87505620 0.50000000 1.0 Co Co18 1 0.12494380 0.63704927 0.50000000 1.0 Co Co19 1 0.36295073 0.48789453 0.50000000 1.0 Co Co20 1 0.48789453 0.36295073 0.50000000 1.0 Co Co21 1 0.87505620 0.51210547 0.50000000 1.0 Co Co22 1 0.63704927 0.12494380 0.50000000 1.0 Co Co23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.18354317 1.00000000 0.00000000 1.0 P P25 1 1.00000000 0.18354317 0.00000000 1.0 P P26 1 0.81645683 0.81645683 0.00000000 1.0 P P27 1 0.52848488 0.69655219 0.50000000 1.0 P P28 1 0.30344781 0.83193269 0.50000000 1.0 P P29 1 0.16806731 0.47151512 0.50000000 1.0 P P30 1 0.47151512 0.16806731 0.50000000 1.0 P P31 1 0.69655219 0.52848488 0.50000000 1.0 P P32 1 0.83193269 0.30344781 0.50000000 1.0 P P33 1 0.63175089 1.00000000 0.00000000 1.0 P P34 1 1.00000000 0.63175089 0.00000000 1.0 P P35 1 0.36824911 0.36824911 0.00000000 1.0