data_[H8I2N2]
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 [Imm2]
_cell_length_a [5.4341]
_cell_length_b [7.2397]
_cell_length_c [5.1496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [H4IN]
_chemical_formula_sum '[H8 I2 N2]'
_cell_volume [202.5929]
_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  4  0.0000  0.1187  0.9031  1.0
  H  H1  4  0.1563  0.0000  0.1335  1.0
  I  I2  2  0.0000  0.5000  0.9611  1.0
  N  N3  2  0.0000  0.0000  0.0146  1.0
]