data_[Cs4I8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0629]
_cell_length_b [15.6562]
_cell_length_c [8.6919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs(ICl3)2]
_chemical_formula_sum '[Cs4 I8 Cl24]'
_cell_volume [1573.5669]
_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  0.1765  0.7500  1.0
  I  I1  8  0.1691  0.4445  0.6710  1.0
  Cl  Cl2  8  0.0958  0.4038  0.0776  1.0
  Cl  Cl3  8  0.1076  0.0103  0.1082  1.0
  Cl  Cl4  8  0.2298  0.2922  0.7574  1.0
]