data_[Cd4Pb4Au12]
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 [P2_1/c]
_cell_length_a [6.8128]
_cell_length_b [8.0835]
_cell_length_c [8.9632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdPbAu3]
_chemical_formula_sum '[Cd4 Pb4 Au12]'
_cell_volume [445.2161]
_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  0.1203  0.6979  0.5465  1.0
  Pb  Pb1  4  0.2570  0.0655  0.8224  1.0
  Au  Au2  4  0.1654  0.0458  0.4493  1.0
  Au  Au3  4  0.3400  0.0962  0.2160  1.0
  Au  Au4  4  0.4155  0.7078  0.9041  1.0
]