data_[I8Cl20O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [27.7034]
_cell_length_b [5.7509]
_cell_length_c [7.4754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [I2Cl5O2]
_chemical_formula_sum '[I8 Cl20 O8]'
_cell_volume [1190.9642]
_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
[
  I  I0  4  0.0000  0.0000  0.7817  1
  I  I1  4  0.2500  0.0794  0.2300  1
  Cl  Cl2  8  0.0789  0.6709  0.1921  1
  Cl  Cl3  8  0.1618  0.0898  0.2278  1
  Cl  Cl4  4  0.2500  0.7373  0.9668  1
  O  O5  8  0.0222  0.2278  0.9229  1
]