data_[Al4Cu12Au4]
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 [Pnma]
_cell_length_a [7.0342]
_cell_length_b [5.5124]
_cell_length_c [7.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AlCu3Au]
_chemical_formula_sum '[Al4 Cu12 Au4]'
_cell_volume [274.0646]
_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  0.1705  0.2500  0.1723  1.0
  Cu  Cu1  8  0.1255  0.0027  0.8744  1.0
  Cu  Cu2  4  0.1707  0.7500  0.1670  1.0
  Au  Au3  4  0.0000  0.0000  0.5000  1.0
]