data_[Cu12Ge4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.6809]
_cell_length_b [7.6809]
_cell_length_c [7.6809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Cu3GeAu3]
_chemical_formula_sum '[Cu12 Ge4 Au12]'
_cell_volume [453.1432]
_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
[
  Cu  Cu0  4  0.1325  0.3675  0.6325  1
  Cu  Cu1  4  0.1627  0.1627  0.1627  1
  Cu  Cu2  4  0.1729  0.8271  0.3271  1
  Ge  Ge3  4  0.0372  0.5372  0.9628  1
  Au  Au4  12  0.0277  0.6958  0.6217  1
]