data_[Cs12H4Au6Br2]
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 [C2/m]
_cell_length_a [22.0240]
_cell_length_b [5.0279]
_cell_length_c [10.1792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6H2Au3Br]
_chemical_formula_sum '[Cs12 H4 Au6 Br2]'
_cell_volume [1091.9143]
_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  0.0118  0.0000  0.2577  1.0
  Cs  Cs1  4  0.1689  0.5000  0.1026  1.0
  Cs  Cs2  4  0.1746  0.5000  0.5659  1.0
  H  H3  4  0.1715  0.0000  0.3390  1.0
  Au  Au4  4  0.1624  0.0000  0.8272  1.0
  Au  Au5  2  0.0000  0.5000  0.5000  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]