data_[Cd2Pb2Au8]
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/m]
_cell_length_a [9.5145]
_cell_length_b [3.8641]
_cell_length_c [7.2096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPbAu4]
_chemical_formula_sum '[Cd2 Pb2 Au8]'
_cell_volume [249.1494]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.5000  1
  Pb  Pb1  2  0.0000  0.5000  0.0000  1
  Au  Au2  4  0.1654  0.0000  0.8105  1
  Au  Au3  4  0.1689  0.0000  0.3497  1
]