data_[Li4H4I4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.4755]
_cell_length_b [4.7981]
_cell_length_c [4.6281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiHI]
_chemical_formula_sum '[Li4 H4 I4]'
_cell_volume [365.8353]
_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
[
  Li  Li0  2  0.3345  0.0000  0.9033  1.0
  Li  Li1  2  0.3428  0.5000  0.4063  1.0
  H  H2  4  0.0854  0.0751  0.6999  1.0
  I  I3  2  0.2492  0.5000  0.9023  1.0
  I  I4  2  0.4283  0.0000  0.4068  1.0
]