# generated using pymatgen data_Ti10P6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25003527 _cell_length_b 7.25003582 _cell_length_c 5.07903767 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti10P6C _chemical_formula_sum 'Ti10 P6 C1' _cell_volume 231.20240517 _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 1.00000000 0.75586059 0.25775530 1.0 Ti Ti1 1 0.24413941 0.24413941 0.25775530 1.0 Ti Ti2 1 0.75586059 0.00000000 0.25775530 1.0 Ti Ti3 1 0.00000000 0.24413941 0.74224470 1.0 Ti Ti4 1 0.75586059 0.75586059 0.74224470 1.0 Ti Ti5 1 0.24413941 0.00000000 0.74224470 1.0 Ti Ti6 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti7 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti8 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti9 1 0.33333300 0.66666700 0.50000000 1.0 P P10 1 0.00000000 0.39355271 0.24372298 1.0 P P11 1 0.60644729 0.60644729 0.24372298 1.0 P P12 1 0.39355271 0.00000000 0.24372298 1.0 P P13 1 1.00000000 0.60644729 0.75627702 1.0 P P14 1 0.39355271 0.39355271 0.75627702 1.0 P P15 1 0.60644729 0.00000000 0.75627702 1.0 C C16 1 0.00000000 0.00000000 0.50000000 1.0