data_[Cs12H6Au4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.2760]
_cell_length_b [4.8047]
_cell_length_c [9.7942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6H3Au2Cl]
_chemical_formula_sum '[Cs12 H6 Au4 Cl2]'
_cell_volume [969.7918]
_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  0.0050  0.0000  0.7425  1
  Cs  Cs1  4  0.1568  0.5000  0.6081  1
  Cs  Cs2  4  0.1706  0.5000  0.0656  1
  H  H3  4  0.1640  0.0000  0.8392  1
  H  H4  2  0.0000  0.5000  0.5000  1
  Au  Au5  4  0.1696  0.0000  0.3403  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]