data_[Cd8Pd8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3407]
_cell_length_b [14.5877]
_cell_length_c [5.7136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd2Pd2Au]
_chemical_formula_sum '[Cd8 Pd8 Au4]'
_cell_volume [361.7931]
_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  0.2002  0.1593  1.0
  Cd  Cd1  4  0.0000  0.4093  0.9338  1.0
  Pd  Pd2  4  0.0000  0.0067  0.1876  1.0
  Pd  Pd3  4  0.0000  0.1860  0.6574  1.0
  Au  Au4  4  0.0000  0.3923  0.4275  1.0
]