data_[H8I4N2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4166]
_cell_length_b [5.8452]
_cell_length_c [11.5206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [H4I2NF]
_chemical_formula_sum '[H8 I4 N2 F2]'
_cell_volume [297.4186]
_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  0.3523  0.0893  1.0
  H  H1  4  0.2001  0.5000  0.9872  1.0
  I  I2  4  0.0000  0.2501  0.6531  1.0
  N  N3  2  0.0000  0.5000  0.0402  1.0
  F  F4  2  0.0000  0.0000  0.0826  1.0
]