# generated using pymatgen data_Ba2GaIrI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46538459 _cell_length_b 4.46538186 _cell_length_c 19.36224354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001278 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2GaIrI _chemical_formula_sum 'Ba4 Ga2 Ir2 I2' _cell_volume 334.35184740 _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 Ba Ba0 1 0.00000000 0.00000000 0.38808819 1.0 Ba Ba1 1 0.00000000 0.00000000 0.88808819 1.0 Ba Ba2 1 0.00000000 0.00000000 0.61186206 1.0 Ba Ba3 1 0.00000000 0.00000000 0.11186206 1.0 Ga Ga4 1 0.33333300 0.66666700 0.50017478 1.0 Ga Ga5 1 0.66666700 0.33333300 0.00017478 1.0 Ir Ir6 1 0.66666700 0.33333300 0.49984568 1.0 Ir Ir7 1 0.33333300 0.66666700 0.99984568 1.0 I I8 1 0.33333300 0.66666700 0.25003030 1.0 I I9 1 0.66666700 0.33333300 0.75003030 1.0