data_[Cd4Pb16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1936]
_cell_length_b [13.7558]
_cell_length_c [6.0279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdPb4Au]
_chemical_formula_sum '[Cd4 Pb16 Au4]'
_cell_volume [697.4994]
_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  4  0.0000  0.3729  0.7500  1
  Pb  Pb1  8  0.1276  0.1782  0.1006  1
  Pb  Pb2  8  0.2073  0.4265  0.3347  1
  Au  Au3  4  0.0000  0.0151  0.7500  1
]