data_[H14I4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4955]
_cell_length_b [12.1534]
_cell_length_c [5.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H7(IO)2]
_chemical_formula_sum '[H14 I4 O4]'
_cell_volume [404.0702]
_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
[
  H  H0  8  0.0929  0.4334  0.2854  1.0
  H  H1  4  0.0158  0.0000  0.0706  1.0
  H  H2  2  0.0000  0.5000  0.5000  1.0
  I  I3  4  0.0000  0.2690  0.0000  1.0
  O  O4  4  0.1227  0.5000  0.3975  1.0
]