data_[Al8Cu8Au32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [5.8474]
_cell_length_b [15.3990]
_cell_length_c [8.8947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [AlCuAu4]
_chemical_formula_sum '[Al8 Cu8 Au32]'
_cell_volume [800.9190]
_cell_formula_units_Z [8]
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  0.0000  0.2484  1.0
  Cu  Cu1  8  0.0000  0.0000  0.7494  1.0
  Au  Au2  16  0.1133  0.1670  0.7451  1.0
  Au  Au3  16  0.1181  0.1648  0.2515  1.0
]