data_[Al8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [10.5378]
_cell_length_b [10.5378]
_cell_length_c [5.1066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [AlAu3]
_chemical_formula_sum '[Al8 Au24]'
_cell_volume [567.0575]
_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  0.0494  0.7127  0.0419  1.0
  Au  Au1  8  0.0324  0.6363  0.5356  1.0
  Au  Au2  8  0.0651  0.1185  0.7358  1.0
  Au  Au3  8  0.1699  0.2222  0.2482  1.0
]