data_[Cu2Ge4Au12]
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 [7.1936]
_cell_length_b [5.8382]
_cell_length_c [9.6232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu(GeAu3)2]
_chemical_formula_sum '[Cu2 Ge4 Au12]'
_cell_volume [327.8407]
_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  2  0.5000  0.0000  0.5000  1.0
  Ge  Ge1  4  0.2300  0.2055  0.7696  1.0
  Au  Au2  4  0.0571  0.1884  0.4365  1.0
  Au  Au3  4  0.2135  0.6520  0.4386  1.0
  Au  Au4  4  0.4613  0.6648  0.2776  1.0
]