data_[Cd4Pd20Au12]
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 [C2/m]
_cell_length_a [8.3732]
_cell_length_b [7.4118]
_cell_length_c [11.2916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPd5Au3]
_chemical_formula_sum '[Cd4 Pd20 Au12]'
_cell_volume [697.0017]
_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  0.0562  0.0000  0.2645  1
  Pd  Pd1  8  0.2017  0.2176  0.6737  1
  Pd  Pd2  4  0.0000  0.3309  0.0000  1
  Pd  Pd3  4  0.0232  0.5000  0.2960  1
  Pd  Pd4  4  0.2076  0.5000  0.8733  1
  Au  Au5  4  0.1747  0.5000  0.5162  1
  Au  Au6  4  0.2443  0.5000  0.1311  1
  Au  Au7  2  0.0000  0.0000  0.0000  1
  Au  Au8  2  0.0000  0.0000  0.5000  1
]