data_[Cs12Au6Br2Cl4]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.5137]
_cell_length_b [5.1320]
_cell_length_c [10.3497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6Au3BrCl2]
_chemical_formula_sum '[Cs12 Au6 Br2 Cl4]'
_cell_volume [1160.9396]
_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  0.0040  0.0000  0.2514  1.0
  Cs  Cs1  4  0.1670  0.5000  0.0932  1.0
  Cs  Cs2  4  0.1698  0.5000  0.5747  1.0
  Au  Au3  4  0.1657  0.0000  0.8313  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1677  0.0000  0.3347  1.0
]