data_[I4Cl4O4]
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 [P2_1/c]
_cell_length_a [7.8434]
_cell_length_b [4.8556]
_cell_length_c [10.1097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [IClO]
_chemical_formula_sum '[I4 Cl4 O4]'
_cell_volume [334.7440]
_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  0.3091  0.5645  0.6410  1
  Cl  Cl1  4  0.0990  0.2376  0.4238  1
  O  O2  4  0.4591  0.6418  0.3219  1
]