data_[Al8Cu12Au4]
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 [C2/m]
_cell_length_a [12.0820]
_cell_length_b [3.9222]
_cell_length_c [8.0217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Cu3Au]
_chemical_formula_sum '[Al8 Cu12 Au4]'
_cell_volume [333.2711]
_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  0.0210  0.5000  0.8407  1.0
  Al  Al1  4  0.1979  0.0000  0.8390  1.0
  Cu  Cu2  4  0.0462  0.0000  0.3866  1.0
  Cu  Cu3  4  0.1147  0.5000  0.6152  1.0
  Cu  Cu4  4  0.2126  0.5000  0.3930  1.0
  Au  Au5  4  0.1372  0.0000  0.1170  1.0
]