# generated using pymatgen data_Ti6MoP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40794358 _cell_length_b 7.40794419 _cell_length_c 13.60338983 _cell_angle_alpha 75.58974794 _cell_angle_beta 75.58974572 _cell_angle_gamma 26.70501178 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6MoP4 _chemical_formula_sum 'Ti12 Mo2 P8' _cell_volume 324.32510441 _cell_formula_units_Z 2 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 Ti Ti0 1 0.42994763 0.42994763 0.16192209 1.0 Ti Ti1 1 0.57005237 0.57005237 0.83807791 1.0 Ti Ti2 1 0.19306872 0.19306872 0.69353872 1.0 Ti Ti3 1 0.80693128 0.80693128 0.30646128 1.0 Ti Ti4 1 0.20644455 0.20644455 0.20612430 1.0 Ti Ti5 1 0.79355545 0.79355545 0.79387570 1.0 Ti Ti6 1 0.34224244 0.34224244 0.96675567 1.0 Ti Ti7 1 0.65775756 0.65775756 0.03324433 1.0 Ti Ti8 1 0.00433659 0.00433659 0.34177862 1.0 Ti Ti9 1 0.99566341 0.99566341 0.65822138 1.0 Ti Ti10 1 0.17711842 0.17711842 0.45804229 1.0 Ti Ti11 1 0.82288158 0.82288158 0.54195771 1.0 Mo Mo12 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo13 1 0.50000000 0.50000000 0.50000000 1.0 P P14 1 0.18019833 0.18019833 0.89209409 1.0 P P15 1 0.81980167 0.81980167 0.10790591 1.0 P P16 1 0.37087272 0.37087272 0.39795452 1.0 P P17 1 0.62912728 0.62912728 0.60204548 1.0 P P18 1 0.36734539 0.36734539 0.65925073 1.0 P P19 1 0.63265461 0.63265461 0.34074927 1.0 P P20 1 0.06057249 0.06057249 0.15276504 1.0 P P21 1 0.93942751 0.93942751 0.84723496 1.0