data_[Cs8Ge4Au4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6745]
_cell_length_b [23.8641]
_cell_length_c [15.0305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2GeAuI5]
_chemical_formula_sum '[Cs8 Ge4 Au4 I20]'
_cell_volume [1676.7012]
_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
[
  Cs  Cs0  4  0.0000  0.1224  0.3135  1.0
  Cs  Cs1  4  0.0000  0.1271  0.7248  1.0
  Ge  Ge2  4  0.0000  0.2201  0.0161  1.0
  Au  Au3  4  0.0000  0.4463  0.4310  1.0
  I  I4  4  0.0000  0.0814  0.0188  1.0
  I  I5  4  0.0000  0.2818  0.3805  1.0
  I  I6  4  0.0000  0.2875  0.6508  1.0
  I  I7  4  0.0000  0.3410  0.0188  1.0
  I  I8  4  0.0000  0.4976  0.2696  1.0
]