data_[Ba8Cd16Au8]
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 [Immm]
_cell_length_a [4.9410]
_cell_length_b [10.3379]
_cell_length_c [18.4602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [BaCd2Au]
_chemical_formula_sum '[Ba8 Cd16 Au8]'
_cell_volume [942.9347]
_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  4  0.0000  0.2436  0.0000  1.0
  Ba  Ba1  4  0.0000  0.5000  0.2064  1.0
  Cd  Cd2  8  0.0000  0.1480  0.1906  1.0
  Cd  Cd3  4  0.0000  0.0000  0.4246  1.0
  Cd  Cd4  4  0.0000  0.5000  0.4136  1.0
  Au  Au5  8  0.0000  0.2375  0.6491  1.0
]