data_[Cs12Au2I4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.8618]
_cell_length_b [5.2019]
_cell_length_c [10.5204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6AuI2Cl3]
_chemical_formula_sum '[Cs12 Au2 I4 Cl6]'
_cell_volume [1214.2877]
_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  0.0059  0.0000  0.7449  1
  Cs  Cs1  4  0.1602  0.5000  0.5982  1
  Cs  Cs2  4  0.1692  0.5000  0.0658  1
  Au  Au3  2  0.0000  0.5000  0.0000  1
  I  I4  4  0.1663  0.0000  0.3320  1
  Cl  Cl5  4  0.1670  0.0000  0.8344  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]