data_[Li2H6I2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1]
_cell_length_a [4.7829]
_cell_length_b [6.4259]
_cell_length_c [7.6260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiH3IN]
_chemical_formula_sum '[Li2 H6 I2 N2]'
_cell_volume [225.4977]
_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
[
  Li  Li0  2  0.3035  0.2588  0.1402  1.0
  H  H1  2  0.3376  0.9717  0.6067  1.0
  H  H2  2  0.3532  0.4923  0.4431  1.0
  H  H3  2  0.4049  0.6189  0.2681  1.0
  I  I4  2  0.1662  0.5136  0.8253  1.0
  N  N5  2  0.4421  0.4797  0.3362  1.0
]