data_[H8I6N2]
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 [Pmn2_1]
_cell_length_a [6.0075]
_cell_length_b [7.3711]
_cell_length_c [9.7250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [H4I3N]
_chemical_formula_sum '[H8 I6 N2]'
_cell_volume [430.6445]
_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  0.1434  0.8652  0.0044  1.0
  H  H1  2  0.0000  0.7307  0.1138  1.0
  H  H2  2  0.0000  0.9554  0.1403  1.0
  I  I3  4  0.2449  0.3653  0.8917  1.0
  I  I4  2  0.0000  0.1371  0.3729  1.0
  N  N5  2  0.0000  0.8546  0.0655  1.0
]