# generated using pymatgen data_Ba4Ga2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45425625 _cell_length_b 4.45425587 _cell_length_c 17.39887280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ga2CuIr _chemical_formula_sum 'Ba4 Ga2 Cu1 Ir1' _cell_volume 298.95241096 _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 Ba Ba0 1 0.33333300 0.66666700 0.12570939 1.0 Ba Ba1 1 0.66666700 0.33333300 0.87556846 1.0 Ba Ba2 1 0.33333300 0.66666700 0.37429061 1.0 Ba Ba3 1 0.66666700 0.33333300 0.62443154 1.0 Ga Ga4 1 0.00000000 0.00000000 0.25000000 1.0 Ga Ga5 1 0.33333300 0.66666700 0.75000000 1.0 Cu Cu6 1 0.00000000 0.00000000 0.75000000 1.0 Ir Ir7 1 0.66666700 0.33333300 0.25000000 1.0