data_[Cs2I4Cl8]
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 [P1]
_cell_length_a [8.9583]
_cell_length_b [9.1446]
_cell_length_c [10.1892]
_cell_angle_alpha [99.9849]
_cell_angle_beta [110.4501]
_cell_angle_gamma [108.8602]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cs(ICl2)2]
_chemical_formula_sum '[Cs2 I4 Cl8]'
_cell_volume [700.4523]
_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  1  0.0007  0.9924  0.0124  1
  Cs  Cs1  1  0.5129  0.2272  0.7197  1
  I  I2  1  0.4108  0.7726  0.8727  1
  I  I3  1  0.4448  0.6427  0.5671  1
  I  I4  1  0.5515  0.4564  0.3636  1
  I  I5  1  0.5871  0.1384  0.2021  1
  Cl  Cl6  1  0.2068  0.3697  0.5073  1
  Cl  Cl7  1  0.2074  0.9088  0.7746  1
  Cl  Cl8  1  0.3029  0.4177  0.1278  1
  Cl  Cl9  1  0.3737  0.0037  0.3023  1
  Cl  Cl10  1  0.6264  0.6481  0.9695  1
  Cl  Cl11  1  0.6885  0.9232  0.6401  1
  Cl  Cl12  1  0.7908  0.2619  0.0906  1
  Cl  Cl13  1  0.7957  0.4871  0.6001  1
]