# generated using pymatgen data_Ti7NbP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43191189 _cell_length_b 6.46849203 _cell_length_c 8.00416371 _cell_angle_alpha 90.22445873 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti7NbP4 _chemical_formula_sum 'Ti7 Nb1 P4' _cell_volume 177.68542579 _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 0.75000000 0.46384288 0.82853333 1.0 Ti Ti1 1 0.75000000 0.96228746 0.67004566 1.0 Ti Ti2 1 0.25000000 0.03752699 0.32797002 1.0 Ti Ti3 1 0.25000000 0.63818914 0.56268566 1.0 Ti Ti4 1 0.75000000 0.36031906 0.43702969 1.0 Ti Ti5 1 0.75000000 0.85787120 0.06220456 1.0 Ti Ti6 1 0.25000000 0.14069744 0.93658902 1.0 Nb Nb7 1 0.25000000 0.53854281 0.17315860 1.0 P P8 1 0.25000000 0.75649081 0.85837745 1.0 P P9 1 0.75000000 0.23962675 0.13875570 1.0 P P10 1 0.75000000 0.75033930 0.36572937 1.0 P P11 1 0.25000000 0.25426413 0.63892295 1.0