data_[Ba4Cd8Au12]
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 [Cmcm]
_cell_length_a [11.0915]
_cell_length_b [9.4041]
_cell_length_c [5.9506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCd2Au3]
_chemical_formula_sum '[Ba4 Cd8 Au12]'
_cell_volume [620.6836]
_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  0.0000  0.2952  0.2500  1.0
  Cd  Cd1  8  0.2168  0.0000  0.0000  1.0
  Au  Au2  8  0.1844  0.2756  0.7500  1.0
  Au  Au3  4  0.0000  0.0751  0.7500  1.0
]