data_[Cs12H6Au4I2]
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 [C2/m]
_cell_length_a [21.8983]
_cell_length_b [4.9338]
_cell_length_c [10.0806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6H3Au2I]
_chemical_formula_sum '[Cs12 H6 Au4 I2]'
_cell_volume [1052.1705]
_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  0.0080  0.0000  0.7195  1.0
  Cs  Cs1  4  0.1605  0.5000  0.5985  1.0
  Cs  Cs2  4  0.1778  0.5000  0.0676  1.0
  H  H3  4  0.1669  0.0000  0.8294  1.0
  H  H4  2  0.0000  0.5000  0.5000  1.0
  Au  Au5  4  0.1668  0.0000  0.3327  1.0
  I  I6  2  0.0000  0.5000  0.0000  1.0
]