data_[I8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2636]
_cell_length_b [4.5349]
_cell_length_c [10.3870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [I2O5]
_chemical_formula_sum '[I8 O20]'
_cell_volume [575.0464]
_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  8  0.1412  0.1236  0.7870  1
  O  O1  8  0.0495  0.4852  0.4947  1
  O  O2  8  0.2101  0.0959  0.1603  1
  O  O3  4  0.0000  0.1200  0.2500  1
]