data_[Cd16Au4]
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 [C2/m]
_cell_length_a [9.5499]
_cell_length_b [6.0722]
_cell_length_c [8.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4Au]
_chemical_formula_sum '[Cd16 Au4]'
_cell_volume [447.1605]
_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  0.0787  0.2484  0.3805  1.0
  Cd  Cd1  4  0.2138  0.5000  0.8538  1.0
  Cd  Cd2  4  0.2257  0.0000  0.7553  1.0
  Au  Au3  4  0.0000  0.2501  0.0000  1.0
]