# generated using pymatgen data_Ti6As2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74402359 _cell_length_b 6.74402436 _cell_length_c 3.55002063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000112 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6As2P _chemical_formula_sum 'Ti6 As2 P1' _cell_volume 139.82979295 _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 0.39904569 1.00000000 0.00000000 1.0 Ti Ti1 1 0.00000000 0.39904469 0.00000000 1.0 Ti Ti2 1 0.60095431 0.60095531 0.00000000 1.0 Ti Ti3 1 0.75223832 1.00000000 0.49999900 1.0 Ti Ti4 1 0.24776068 0.24776068 0.49999900 1.0 Ti Ti5 1 0.00000000 0.75223932 0.49999900 1.0 As As6 1 0.66666700 0.33333300 0.49999900 1.0 As As7 1 0.33333400 0.66666700 0.49999900 1.0 P P8 1 0.00000000 0.00000000 0.00000000 1.0