data_[Cs20H4Au4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  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 [5.4049]
_cell_length_b [21.3201]
_cell_length_c [18.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs5HAuI2]
_chemical_formula_sum '[Cs20 H4 Au4 I8]'
_cell_volume [2076.6534]
_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  0.0577  0.0095  1.0
  Cs  Cs1  4  0.0000  0.2650  0.6865  1.0
  Cs  Cs2  4  0.0000  0.2981  0.4104  1.0
  Cs  Cs3  4  0.0000  0.3832  0.9890  1.0
  Cs  Cs4  4  0.0000  0.4923  0.2755  1.0
  H  H5  4  0.0000  0.4608  0.4379  1.0
  Au  Au6  4  0.0000  0.2201  0.0470  1.0
  I  I7  4  0.0000  0.0814  0.6429  1.0
  I  I8  4  0.0000  0.1231  0.3252  1.0
]