data_[Cs12Au4I2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.0858]
_cell_length_b [5.2752]
_cell_length_c [10.6107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6Au2IBr3]
_chemical_formula_sum '[Cs12 Au4 I2 Br6]'
_cell_volume [1256.2807]
_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  0.0001  0.0000  0.2615  1
  Cs  Cs1  4  0.1662  0.5000  0.5852  1
  Cs  Cs2  4  0.1710  0.5000  0.0840  1
  Au  Au3  4  0.1679  0.0000  0.3354  1
  I  I4  2  0.0000  0.5000  0.0000  1
  Br  Br5  4  0.1656  0.0000  0.8322  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]