data_[Cs4Si2Ge2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.0536]
_cell_length_b [7.0536]
_cell_length_c [10.3054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2SiGeAu6]
_chemical_formula_sum '[Cs4 Si2 Ge2 Au12]'
_cell_volume [512.7353]
_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
[
  Cs  Cs0  4  0.0000  0.5000  0.2198  1.0
  Si  Si1  2  0.0000  0.0000  0.0456  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5457  1.0
  Au  Au3  8  0.2447  0.2447  0.9724  1.0
  Au  Au4  2  0.0000  0.0000  0.2870  1.0
  Au  Au5  2  0.0000  0.0000  0.7965  1.0
]