data_[Ba22Cd18Au8]
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 [Cmmm]
_cell_length_a [16.2015]
_cell_length_b [24.4394]
_cell_length_c [4.3519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba11Cd9Au4]
_chemical_formula_sum '[Ba22 Cd18 Au8]'
_cell_volume [1723.1754]
_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  0.2431  0.1713  0.0000  1
  Ba  Ba1  4  0.0000  0.1647  0.0000  1
  Ba  Ba2  4  0.0000  0.3678  0.0000  1
  Ba  Ba3  4  0.2059  0.5000  0.0000  1
  Ba  Ba4  2  0.0000  0.0000  0.0000  1
  Cd  Cd5  8  0.1049  0.2627  0.5000  1
  Cd  Cd6  8  0.1377  0.0750  0.5000  1
  Cd  Cd7  2  0.0000  0.5000  0.5000  1
  Au  Au8  8  0.1482  0.4020  0.5000  1
]