# generated using pymatgen data_Ga3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29655647 _cell_length_b 6.29655647 _cell_length_c 4.29058700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000498 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3Au _chemical_formula_sum 'Ga6 Au2' _cell_volume 147.31722460 _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 Ga Ga0 1 0.16714000 0.33428000 0.25000000 1.0 Ga Ga1 1 0.66572000 0.83286000 0.25000000 1.0 Ga Ga2 1 0.16714000 0.83286000 0.25000000 1.0 Ga Ga3 1 0.83286000 0.66572000 0.75000000 1.0 Ga Ga4 1 0.33428000 0.16714000 0.75000000 1.0 Ga Ga5 1 0.83286000 0.16714000 0.75000000 1.0 Au Au6 1 0.33333300 0.66666700 0.75000000 1.0 Au Au7 1 0.66666700 0.33333300 0.25000000 1.0