data_[Cs10Au2Br8]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2239]
_cell_length_b [5.2239]
_cell_length_c [36.9548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs5AuBr4]
_chemical_formula_sum '[Cs10 Au2 Br8]'
_cell_volume [1008.4453]
_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  0.0000  0.0000  0.1005  1
  Cs  Cs1  4  0.0000  0.0000  0.3000  1
  Cs  Cs2  2  0.0000  0.0000  0.5000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.0000  0.2001  1
  Br  Br5  4  0.0000  0.0000  0.3999  1
]