data_[Cs4K4Br8F24]
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
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5905]
_cell_length_b [12.7224]
_cell_length_c [8.0385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsK(BrF3)2]
_chemical_formula_sum '[Cs4 K4 Br8 F24]'
_cell_volume [901.4061]
_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  0.2102  0.2500  1.0
  K  K1  4  0.0000  0.4463  0.7500  1.0
  Br  Br2  8  0.1465  0.1243  0.8058  1.0
  F  F3  8  0.1046  0.3949  0.1051  1.0
  F  F4  8  0.1446  0.2551  0.6765  1.0
  F  F5  8  0.1512  0.0013  0.4401  1.0
]