data_[H16I16]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2758]
_cell_length_b [12.2274]
_cell_length_c [9.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HI]
_chemical_formula_sum '[H16 I16]'
_cell_volume [1164.2516]
_cell_formula_units_Z [16]
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  0.1001  0.3451  0.5006  1.0
  H  H1  8  0.1534  0.3998  0.9982  1.0
  I  I2  8  0.0073  0.2474  0.5013  1.0
  I  I3  8  0.2493  0.0066  0.0019  1.0
]