# generated using pymatgen data_Ti6GaAsP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82623564 _cell_length_b 6.82662236 _cell_length_c 3.49768721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00142832 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6GaAsP _chemical_formula_sum 'Ti6 Ga1 As1 P1' _cell_volume 141.15377713 _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 0.99843737 0.24892411 0.50000000 1.0 Ti Ti1 1 0.25048752 0.00154922 0.50000000 1.0 Ti Ti2 1 0.75106795 0.74950196 0.50000000 1.0 Ti Ti3 1 0.60166321 0.99337459 0.00000000 1.0 Ti Ti4 1 0.39174260 0.39832571 0.00000000 1.0 Ti Ti5 1 0.00659803 0.60832748 0.00000000 1.0 Ga Ga6 1 0.66665710 0.33333389 0.50000000 1.0 As As7 1 0.33334545 0.66667299 0.50000000 1.0 P P8 1 0.00000076 0.99999003 0.00000000 1.0