data_[Ba8Ga24Cu2Ir6]
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
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.7950]
_cell_length_b [9.7950]
_cell_length_c [9.7950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Ba4Ga12CuIr3]
_chemical_formula_sum '[Ba8 Ga24 Cu2 Ir6]'
_cell_volume [939.7469]
_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  8  0.2500  0.2500  0.2500  1.0
  Ga  Ga1  12  0.0000  0.0000  0.2436  1.0
  Ga  Ga2  12  0.0000  0.2500  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  6  0.0000  0.0000  0.5000  1.0
]