# generated using pymatgen data_Ti5Nb3P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44851824 _cell_length_b 6.49727412 _cell_length_c 8.02730126 _cell_angle_alpha 90.23333877 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Nb3P4 _chemical_formula_sum 'Ti5 Nb3 P4' _cell_volume 179.85796636 _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 0.03361599 0.32924941 1.0 Ti Ti1 1 0.25000000 0.64194173 0.56262632 1.0 Ti Ti2 1 0.75000000 0.36037166 0.43593816 1.0 Ti Ti3 1 0.75000000 0.85816965 0.06311511 1.0 Ti Ti4 1 0.25000000 0.14407115 0.93723648 1.0 Nb Nb5 1 0.25000000 0.53398805 0.17242733 1.0 Nb Nb6 1 0.75000000 0.46449745 0.82440390 1.0 Nb Nb7 1 0.75000000 0.96418563 0.67310453 1.0 P P8 1 0.25000000 0.75980224 0.86283613 1.0 P P9 1 0.75000000 0.23548593 0.14269602 1.0 P P10 1 0.75000000 0.74648335 0.36205619 1.0 P P11 1 0.25000000 0.25738818 0.63431042 1.0