data_[Cs8Se16Br32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [F222]
_cell_length_a [11.6853]
_cell_length_b [12.1833]
_cell_length_c [20.1108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [22]
_chemical_formula_structural [Cs(SeBr2)2]
_chemical_formula_sum '[Cs8 Se16 Br32]'
_cell_volume [2863.0764]
_cell_formula_units_Z [8]
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  0.5000  1
  Cs  Cs1  4  0.2500  0.2500  0.7500  1
  Se  Se2  16  0.1855  0.1697  0.1393  1
  Br  Br3  16  0.0140  0.2473  0.6166  1
  Br  Br4  16  0.1709  0.0165  0.3439  1
]