data_[Cu6Ge2Au12]
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 [7.7479]
_cell_length_b [5.5332]
_cell_length_c [10.8916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu3GeAu6]
_chemical_formula_sum '[Cu6 Ge2 Au12]'
_cell_volume [332.7723]
_cell_formula_units_Z [2]
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  0.2459  0.2271  0.7475  1.0
  Cu  Cu1  2  0.5000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.1140  0.0979  0.4336  1.0
  Au  Au4  4  0.2681  0.6007  0.4383  1.0
  Au  Au5  4  0.4015  0.7359  0.2524  1.0
]