data_[Cs8I8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [23.0021]
_cell_length_b [8.1902]
_cell_length_c [8.8035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Cs2I2Br5]
_chemical_formula_sum '[Cs8 I8 Br20]'
_cell_volume [1658.5104]
_cell_formula_units_Z [4]
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  8  0.1213  0.5475  0.0522  1
  I  I1  4  0.0000  0.0000  0.0482  1
  I  I2  4  0.2500  0.0206  0.0659  1
  Br  Br3  8  0.0053  0.7491  0.7989  1
  Br  Br4  8  0.1683  0.1922  0.8634  1
  Br  Br5  4  0.2500  0.7031  0.7927  1
]