# generated using pymatgen data_Zr4TiNb3P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56488856 _cell_length_b 6.87572978 _cell_length_c 8.32226096 _cell_angle_alpha 90.17140180 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4TiNb3P4 _chemical_formula_sum 'Zr4 Ti1 Nb3 P4' _cell_volume 203.98777645 _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 Zr Zr0 1 0.25000000 0.53476614 0.83283569 1.0 Zr Zr1 1 0.75000000 0.96590087 0.33008372 1.0 Zr Zr2 1 0.25000000 0.03570415 0.66952558 1.0 Zr Zr3 1 0.75000000 0.46538441 0.16796039 1.0 Ti Ti4 1 0.25000000 0.13578240 0.06005555 1.0 Nb Nb5 1 0.75000000 0.86253754 0.94039303 1.0 Nb Nb6 1 0.25000000 0.63865503 0.43954937 1.0 Nb Nb7 1 0.75000000 0.36058802 0.55941534 1.0 P P8 1 0.75000000 0.73913116 0.64200706 1.0 P P9 1 0.25000000 0.76320913 0.14026073 1.0 P P10 1 0.75000000 0.23831600 0.86416152 1.0 P P11 1 0.25000000 0.26002516 0.35375103 1.0