# generated using pymatgen data_Ta3Ti(FeP)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56933852 _cell_length_b 6.06627652 _cell_length_c 6.83825452 _cell_angle_alpha 89.97054176 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Ti(FeP)4 _chemical_formula_sum 'Ta3 Ti1 Fe4 P4' _cell_volume 148.06593230 _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 Ta Ta0 1 0.25000000 0.02113398 0.82290385 1.0 Ta Ta1 1 0.25000000 0.51910919 0.67689446 1.0 Ta Ta2 1 0.75000000 0.98164680 0.17841909 1.0 Ti Ti3 1 0.75000000 0.48099317 0.31977610 1.0 Fe Fe4 1 0.25000000 0.14204632 0.43769079 1.0 Fe Fe5 1 0.25000000 0.64266780 0.06376439 1.0 Fe Fe6 1 0.75000000 0.85712866 0.56261628 1.0 Fe Fe7 1 0.75000000 0.35700909 0.93731163 1.0 P P8 1 0.25000000 0.77303135 0.38088297 1.0 P P9 1 0.25000000 0.28143282 0.12260310 1.0 P P10 1 0.75000000 0.22294377 0.61398448 1.0 P P11 1 0.75000000 0.72085606 0.88315186 1.0