data_[Cs20H4Au8Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.2611]
_cell_length_b [21.3086]
_cell_length_c [15.5813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs5HAu2Br]
_chemical_formula_sum '[Cs20 H4 Au8 Br4]'
_cell_volume [1746.7793]
_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  0.0186  0.9840  1.0
  Cs  Cs1  4  0.0000  0.2826  0.3162  1.0
  Cs  Cs2  4  0.0000  0.3356  0.6345  1.0
  Cs  Cs3  4  0.0000  0.3578  0.9941  1.0
  Cs  Cs4  4  0.0000  0.4810  0.2362  1.0
  H  H5  4  0.0000  0.4761  0.5600  1.0
  Au  Au6  4  0.0000  0.1060  0.3089  1.0
  Au  Au7  4  0.0000  0.1425  0.6682  1.0
  Br  Br8  4  0.0000  0.1878  0.9742  1.0
]