data_[H16I8N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [6.5328]
_cell_length_b [9.5167]
_cell_length_c [9.6705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [H4I2N]
_chemical_formula_sum '[H16 I8 N4]'
_cell_volume [601.2235]
_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
[
  H  H0  8  0.0000  0.0889  0.9380  1.0
  H  H1  8  0.1272  0.0000  0.0632  1.0
  I  I2  8  0.2500  0.2500  0.2487  1.0
  N  N3  4  0.0000  0.0000  0.9999  1.0
]