data_[Cs2I2Cl6]
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 [P-1]
_cell_length_a [5.6019]
_cell_length_b [8.6902]
_cell_length_c [9.6299]
_cell_angle_alpha [68.7383]
_cell_angle_beta [75.7218]
_cell_angle_gamma [84.1017]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsICl3]
_chemical_formula_sum '[Cs2 I2 Cl6]'
_cell_volume [423.3496]
_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  2  0.1755  0.1937  0.6415  1.0
  I  I1  2  0.4012  0.6142  0.8547  1.0
  Cl  Cl2  2  0.1857  0.8160  0.9758  1.0
  Cl  Cl3  2  0.2267  0.8105  0.5899  1.0
  Cl  Cl4  2  0.3946  0.5661  0.2986  1.0
]