data_[Cu8Ge4Au20]
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 [Cmcm]
_cell_length_a [4.2671]
_cell_length_b [9.5526]
_cell_length_c [13.0879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cu2GeAu5]
_chemical_formula_sum '[Cu8 Ge4 Au20]'
_cell_volume [533.4837]
_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  8  0.0000  0.2336  0.6513  1.0
  Ge  Ge1  4  0.0000  0.2398  0.2500  1.0
  Au  Au2  8  0.0000  0.0457  0.1037  1.0
  Au  Au3  8  0.0000  0.3500  0.0357  1.0
  Au  Au4  4  0.0000  0.4902  0.7500  1.0
]