data_[Al8Cd4Au36]
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 [I4_1/amd]
_cell_length_a [11.6171]
_cell_length_b [11.6171]
_cell_length_c [6.6707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Al2CdAu9]
_chemical_formula_sum '[Al8 Cd4 Au36]'
_cell_volume [900.2544]
_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  0.2500  0.1250  1
  Cd  Cd1  4  0.0000  0.0000  0.5000  1
  Au  Au2  32  0.1223  0.1771  0.7845  1
  Au  Au3  4  0.0000  0.0000  0.0000  1
]