data_[Cs4Cd4In8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.0624]
_cell_length_b [9.0624]
_cell_length_c [16.1990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsCdIn2Br5]
_chemical_formula_sum '[Cs4 Cd4 In8 Br20]'
_cell_volume [1330.3823]
_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  4  0.0000  0.0000  0.2500  1.0
  Cd  Cd1  4  0.0000  0.5000  0.2500  1.0
  In  In2  8  0.1664  0.6664  0.5000  1.0
  Br  Br3  16  0.1578  0.3422  0.6449  1.0
  Br  Br4  4  0.0000  0.0000  0.0000  1.0
]