data_[Ba8Ga8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.6417]
_cell_length_b [7.6085]
_cell_length_c [7.9741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2Ga2Ir]
_chemical_formula_sum '[Ba8 Ga8 Ir4]'
_cell_volume [618.7004]
_cell_formula_units_Z [4]
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  4  0.0580  0.2326  0.0304  1.0
  Ba  Ba1  4  0.3295  0.5812  0.9500  1.0
  Ga  Ga2  4  0.1918  0.5417  0.3068  1.0
  Ga  Ga3  4  0.4355  0.1764  0.1609  1.0
  Ir  Ir4  4  0.4090  0.0798  0.8547  1.0
]