data_[Al8Cu8Au20]
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 [Ima2]
_cell_length_a [16.4058]
_cell_length_b [4.7255]
_cell_length_c [7.5760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Al2Cu2Au5]
_chemical_formula_sum '[Al8 Cu8 Au20]'
_cell_volume [587.3398]
_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  4  0.0000  0.0000  0.8771  1.0
  Al  Al1  4  0.2500  0.0301  0.1855  1.0
  Cu  Cu2  8  0.0740  0.0632  0.5498  1.0
  Au  Au3  8  0.0838  0.5681  0.7070  1.0
  Au  Au4  8  0.1619  0.0479  0.8663  1.0
  Au  Au5  4  0.2500  0.5403  0.0270  1.0
]