# generated using pymatgen data_TiNb3(FeP)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58146913 _cell_length_b 6.10799863 _cell_length_c 6.86349761 _cell_angle_alpha 89.97825482 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb3(FeP)4 _chemical_formula_sum 'Ti1 Nb3 Fe4 P4' _cell_volume 150.14317593 _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 Ti Ti0 1 0.25000000 0.51817833 0.18134499 1.0 Nb Nb1 1 0.75000000 0.48135876 0.82307808 1.0 Nb Nb2 1 0.75000000 0.97872088 0.67724846 1.0 Nb Nb3 1 0.25000000 0.01838252 0.32168907 1.0 Fe Fe4 1 0.25000000 0.64175827 0.56023538 1.0 Fe Fe5 1 0.75000000 0.35870513 0.43444070 1.0 Fe Fe6 1 0.75000000 0.85760035 0.06251158 1.0 Fe Fe7 1 0.25000000 0.14272611 0.93958282 1.0 P P8 1 0.25000000 0.77877617 0.88793906 1.0 P P9 1 0.75000000 0.22581302 0.11808582 1.0 P P10 1 0.75000000 0.71695459 0.37793501 1.0 P P11 1 0.25000000 0.28102588 0.61590802 1.0