data_[Cs12H6Au2Cl4]
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 [21.1833]
_cell_length_b [4.8197]
_cell_length_c [9.7501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6H3AuCl2]
_chemical_formula_sum '[Cs12 H6 Au2 Cl4]'
_cell_volume [967.2952]
_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  0.0046  0.0000  0.7270  1.0
  Cs  Cs1  4  0.1629  0.5000  0.5939  1.0
  Cs  Cs2  4  0.1744  0.5000  0.0747  1.0
  H  H3  4  0.1680  0.0000  0.8302  1.0
  H  H4  2  0.0000  0.5000  0.5000  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1668  0.0000  0.3341  1.0
]