data_[Ba4Ga6Ir4]
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 [C2/m]
_cell_length_a [11.8414]
_cell_length_b [4.1254]
_cell_length_c [7.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ga3Ir2]
_chemical_formula_sum '[Ba4 Ga6 Ir4]'
_cell_volume [333.0912]
_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  4  0.1404  0.0000  0.7573  1.0
  Ga  Ga1  4  0.1593  0.5000  0.4379  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.1178  0.0000  0.2084  1.0
]