data_[Ba16Cd24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.9077]
_cell_length_b [10.3397]
_cell_length_c [17.2346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Cd3Au]
_chemical_formula_sum '[Ba16 Cd24 Au8]'
_cell_volume [1587.3571]
_cell_formula_units_Z [8]
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  0.2440  0.0000  0.5000  1.0
  Ba  Ba1  8  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  16  0.0000  0.2472  0.4155  1.0
  Cd  Cd3  8  0.0000  0.0000  0.1695  1.0
  Au  Au4  8  0.0000  0.0000  0.3344  1.0
]