data_[Al8Cu4Au8]
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 [P2_1/c]
_cell_length_a [10.9144]
_cell_length_b [5.5003]
_cell_length_c [5.4479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Al2CuAu2]
_chemical_formula_sum '[Al8 Cu4 Au8]'
_cell_volume [321.4072]
_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  0.1035  0.6368  0.9017  1
  Al  Al1  4  0.4979  0.6283  0.7539  1
  Cu  Cu2  4  0.3178  0.1266  0.3549  1
  Au  Au3  4  0.1037  0.1638  0.9894  1
  Au  Au4  4  0.3006  0.6177  0.3180  1
]