data_[Cd8Cu4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4838]
_cell_length_b [5.8739]
_cell_length_c [5.8377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2CuAu3]
_chemical_formula_sum '[Cd8 Cu4 Au12]'
_cell_volume [451.8191]
_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
[
  Cd  Cd0  8  0.1721  0.4947  0.0891  1.0
  Cu  Cu1  4  0.0000  0.2468  0.2500  1.0
  Au  Au2  8  0.1376  0.0035  0.5671  1.0
  Au  Au3  4  0.0000  0.3023  0.7500  1.0
]