data_[Cs4K2I4Br12]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7557]
_cell_length_b [7.9414]
_cell_length_c [9.4250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K(IBr3)2]
_chemical_formula_sum '[Cs4 K2 I4 Br12]'
_cell_volume [1058.4600]
_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  0.2239  0.5000  0.1876  1
  K  K1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.0757  0.0000  0.2833  1
  Br  Br3  8  0.0890  0.2350  0.8130  1
  Br  Br4  4  0.2399  0.5000  0.6092  1
]