data_[Cs2In4I2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3257]
_cell_length_b [6.9193]
_cell_length_c [10.5151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsIn2IBr2]
_chemical_formula_sum '[Cs2 In4 I2 Br4]'
_cell_volume [596.2471]
_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  2  0.2839  0.2500  0.5715  1
  In  In1  4  0.1781  0.5049  0.1356  1
  I  I2  2  0.0650  0.7500  0.7297  1
  Br  Br3  2  0.2455  0.7500  0.3727  1
  Br  Br4  2  0.4459  0.2500  0.2603  1
]