data_[K8Ge20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.8525]
_cell_length_b [12.9860]
_cell_length_c [6.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K2Ge5Au3]
_chemical_formula_sum '[K8 Ge20 Au12]'
_cell_volume [912.9606]
_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
[
  K  K0  8  0.2472  0.3765  0.5000  1
  Ge  Ge1  8  0.0000  0.2456  0.2500  1
  Ge  Ge2  8  0.1304  0.1262  0.5000  1
  Ge  Ge3  4  0.0000  0.5000  0.2500  1
  Au  Au4  8  0.1275  0.3717  0.0000  1
  Au  Au5  4  0.0000  0.0000  0.2500  1
]