data_[Li8H6I8]
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 [7.4683]
_cell_length_b [5.0395]
_cell_length_c [16.7386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li4H3I4]
_chemical_formula_sum '[Li8 H6 I8]'
_cell_volume [629.3381]
_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  0.0429  0.5000  0.5373  1
  Li  Li1  2  0.1085  0.5000  0.0977  1
  Li  Li2  2  0.1528  0.0000  0.2113  1
  Li  Li3  2  0.2054  0.0000  0.6687  1
  H  H4  2  0.2470  0.0000  0.8976  1
  H  H5  2  0.3247  0.0000  0.8705  1
  H  H6  2  0.3956  0.0000  0.1768  1
  I  I7  2  0.0697  0.5000  0.7062  1
  I  I8  2  0.1195  0.5000  0.2753  1
  I  I9  2  0.1795  0.0000  0.4995  1
  I  I10  2  0.4745  0.5000  0.0590  1
]