data_[Ba2Ga8Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.2119]
_cell_length_b [7.2119]
_cell_length_c [9.3488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ba(Ga2Au3)2]
_chemical_formula_sum '[Ba2 Ga8 Au12]'
_cell_volume [486.2454]
_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  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  8  0.1969  0.8031  0.6654  1.0
  Au  Au2  8  0.1606  0.1606  0.6179  1.0
  Au  Au3  4  0.0000  0.5000  0.0000  1.0
]