data_[Cs4I2Br4]
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 [C2/m]
_cell_length_a [9.8200]
_cell_length_b [6.9012]
_cell_length_c [7.5473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2IBr2]
_chemical_formula_sum '[Cs4 I2 Br4]'
_cell_volume [481.2743]
_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  0.2051  0.5000  0.2378  1
  I  I1  2  0.0000  0.0000  0.0000  1
  Br  Br2  4  0.1595  0.5000  0.6935  1
]