# generated using pymatgen data_Ti4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42198844 _cell_length_b 6.42198774 _cell_length_c 6.42198928 _cell_angle_alpha 109.47122216 _cell_angle_beta 109.47122003 _cell_angle_gamma 109.47121894 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4P3 _chemical_formula_sum 'Ti8 P6' _cell_volume 203.88566007 _cell_formula_units_Z 2 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 0.36307163 0.50000000 -0.00000000 1.0 Ti Ti1 1 0.86307163 0.50000000 -0.00000000 1.0 Ti Ti2 1 0.63692837 0.63692837 0.63692837 1.0 Ti Ti3 1 0.50000000 0.00000000 0.36307163 1.0 Ti Ti4 1 0.13692837 0.13692837 0.13692837 1.0 Ti Ti5 1 -0.00000000 0.86307163 0.50000000 1.0 Ti Ti6 1 0.50000000 0.00000000 0.86307163 1.0 Ti Ti7 1 -0.00000000 0.36307163 0.50000000 1.0 P P8 1 0.87500000 0.12500000 0.75000000 1.0 P P9 1 0.75000000 0.87500000 0.12500000 1.0 P P10 1 0.25000000 0.62500000 0.37500000 1.0 P P11 1 0.62500000 0.37500000 0.25000000 1.0 P P12 1 0.12500000 0.75000000 0.87500000 1.0 P P13 1 0.37500000 0.25000000 0.62500000 1.0