data_[Al8Cd16Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.4513]
_cell_length_b [17.9942]
_cell_length_c [5.6107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Al2Cd4Au5]
_chemical_formula_sum '[Al8 Cd16 Au20]'
_cell_volume [853.2466]
_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
[
  Al  Al0  8  0.0000  0.3002  0.2500  1
  Cd  Cd1  8  0.0906  0.1414  0.0000  1
  Cd  Cd2  8  0.2329  0.4366  0.0000  1
  Au  Au3  8  0.0981  0.4172  0.5000  1
  Au  Au4  8  0.2153  0.2223  0.5000  1
  Au  Au5  4  0.0000  0.0000  0.2500  1
]