data_[Cd4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0959]
_cell_length_b [2.9953]
_cell_length_c [7.0812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdAu2]
_chemical_formula_sum '[Cd4 Au8]'
_cell_volume [228.4124]
_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  2  0.0465  0.0000  0.5983  1.0
  Cd  Cd1  2  0.2256  0.5000  0.9511  1.0
  Au  Au2  2  0.0056  0.0000  0.0007  1.0
  Au  Au3  2  0.1703  0.5000  0.3385  1.0
  Au  Au4  2  0.3300  0.0000  0.6716  1.0
  Au  Au5  2  0.3887  0.0000  0.2731  1.0
]