data_[H6I7]
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 [P31m]
_cell_length_a [9.3096]
_cell_length_b [9.3096]
_cell_length_c [17.7386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [H6I7]
_chemical_formula_sum '[H6 I7]'
_cell_volume [1331.4088]
_cell_formula_units_Z [1]
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  3  0.0000  0.1087  0.4927  1
  H  H1  2  0.3333  0.6667  0.5182  1
  H  H2  1  0.0000  0.0000  0.5224  1
  I  I3  6  0.2012  0.4059  0.5159  1
  I  I4  1  0.0000  0.0000  0.3680  1
]