data_[Cs6Cd4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6485]
_cell_length_b [5.6485]
_cell_length_c [29.2001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3(CdBr3)2]
_chemical_formula_sum '[Cs6 Cd4 Br12]'
_cell_volume [931.6347]
_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  0.0000  0.0000  0.1770  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.0000  0.3975  1.0
  Br  Br3  8  0.0000  0.5000  0.0850  1.0
  Br  Br4  4  0.0000  0.0000  0.3028  1.0
]