data_[Cu4Ge4Au12]
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_1/c]
_cell_length_a [9.9353]
_cell_length_b [5.2164]
_cell_length_c [7.1560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuGeAu3]
_chemical_formula_sum '[Cu4 Ge4 Au12]'
_cell_volume [353.9451]
_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  0.3634  0.5321  0.4607  1
  Ge  Ge1  4  0.1942  0.0958  0.5686  1
  Au  Au2  4  0.0643  0.0105  0.8361  1
  Au  Au3  4  0.2311  0.5844  0.7392  1
  Au  Au4  4  0.4691  0.1126  0.6655  1
]