data_[Cd2In2I2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [8.0581]
_cell_length_b [6.0754]
_cell_length_c [8.7369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdInIBr2]
_chemical_formula_sum '[Cd2 In2 I2 Br4]'
_cell_volume [424.3826]
_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
[
  Cd  Cd0  2  0.0915  0.2500  0.1605  1
  In  In1  2  0.2678  0.2500  0.6274  1
  I  I2  2  0.4261  0.2500  0.2720  1
  Br  Br3  2  0.0486  0.7500  0.1297  1
  Br  Br4  2  0.0973  0.7500  0.6132  1
]