data_[Cs4K4Fe8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7075]
_cell_length_b [14.1984]
_cell_length_c [7.7817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsK(FeBr3)2]
_chemical_formula_sum '[Cs4 K4 Fe8 Br24]'
_cell_volume [1579.3216]
_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  0.1814  0.7500  1.0
  K  K1  4  0.0000  0.3967  0.2500  1.0
  Fe  Fe2  8  0.2143  0.0837  0.2630  1.0
  Br  Br3  8  0.1171  0.4146  0.6675  1.0
  Br  Br4  8  0.1478  0.0270  0.5153  1.0
  Br  Br5  8  0.1509  0.2371  0.1809  1.0
]