# generated using pymatgen data_Ti6GaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89434626 _cell_length_b 6.89434629 _cell_length_c 3.52984661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000455 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6GaAs2 _chemical_formula_sum 'Ti6 Ga1 As2' _cell_volume 145.30234732 _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 0.60221298 0.00726526 0.00000000 1.0 Ti Ti1 1 0.99273474 0.59494872 0.00000000 1.0 Ti Ti2 1 0.40505128 0.39778702 0.00000000 1.0 Ti Ti3 1 0.25782316 0.99925846 0.50000000 1.0 Ti Ti4 1 0.00074154 0.25856370 0.50000000 1.0 Ti Ti5 1 0.74143630 0.74217684 0.50000000 1.0 Ga Ga6 1 0.33333300 0.66666700 0.50000000 1.0 As As7 1 0.66666700 0.33333300 0.50000000 1.0 As As8 1 0.00000000 0.00000000 0.00000000 1.0