data_[Ba8Cd8Au4]
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 [C2/m]
_cell_length_a [12.5596]
_cell_length_b [4.7504]
_cell_length_c [13.3777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Cd2Au]
_chemical_formula_sum '[Ba8 Cd8 Au4]'
_cell_volume [706.5291]
_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  0.0845  0.0000  0.8837  1.0
  Ba  Ba1  4  0.1980  0.5000  0.6459  1.0
  Cd  Cd2  4  0.0529  0.0000  0.4197  1.0
  Cd  Cd3  4  0.1253  0.5000  0.1157  1.0
  Au  Au4  4  0.0838  0.5000  0.3160  1.0
]