# generated using pymatgen data_Th5Ti3(Co4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.18944191 _cell_length_b 12.18944171 _cell_length_c 3.80726112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999521 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5Ti3(Co4P3)4 _chemical_formula_sum 'Th5 Ti3 Co16 P12' _cell_volume 489.90396441 _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 0.66666700 0.33333300 0.00000000 1.0 Th Th1 1 0.33333300 0.66666700 0.00000000 1.0 Th Th2 1 0.81078092 0.81078092 0.50000000 1.0 Th Th3 1 0.18921908 1.00000000 0.50000000 1.0 Th Th4 1 1.00000000 0.18921908 0.50000000 1.0 Ti Ti5 1 0.42854430 0.42854430 0.00000000 1.0 Ti Ti6 1 0.57145570 1.00000000 0.00000000 1.0 Ti Ti7 1 1.00000000 0.57145570 0.00000000 1.0 Co Co8 1 0.19508309 0.37946182 0.00000000 1.0 Co Co9 1 0.18437873 0.80491691 0.00000000 1.0 Co Co10 1 0.81562127 0.62053818 0.00000000 1.0 Co Co11 1 0.80491691 0.18437873 0.00000000 1.0 Co Co12 1 0.37946182 0.19508309 0.00000000 1.0 Co Co13 1 0.12406912 0.48646582 0.50000000 1.0 Co Co14 1 0.36239870 0.87593088 0.50000000 1.0 Co Co15 1 0.51353418 0.63760130 0.50000000 1.0 Co Co16 1 0.63760130 0.51353418 0.50000000 1.0 Co Co17 1 0.87593088 0.36239870 0.50000000 1.0 Co Co18 1 0.48646582 0.12406912 0.50000000 1.0 Co Co19 1 0.00000000 0.00000000 0.00000000 1.0 Co Co20 1 0.71956060 0.00000000 0.50000000 1.0 Co Co21 1 0.00000000 0.71956060 0.50000000 1.0 Co Co22 1 0.62053818 0.81562127 0.00000000 1.0 Co Co23 1 0.28043940 0.28043940 0.50000000 1.0 P P24 1 0.62883879 0.62883879 0.00000000 1.0 P P25 1 0.37116121 0.00000000 0.00000000 1.0 P P26 1 0.00000000 0.37116121 0.00000000 1.0 P P27 1 0.47297615 0.30612430 0.50000000 1.0 P P28 1 0.69387570 0.16685085 0.50000000 1.0 P P29 1 0.83314915 0.52702385 0.50000000 1.0 P P30 1 0.52702385 0.83314915 0.50000000 1.0 P P31 1 0.16685085 0.69387570 0.50000000 1.0 P P32 1 0.81570089 0.00000000 0.00000000 1.0 P P33 1 0.00000000 0.81570089 0.00000000 1.0 P P34 1 0.30612430 0.47297615 0.50000000 1.0 P P35 1 0.18429911 0.18429911 0.00000000 1.0