data_[Li2H1I1O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6587]
_cell_length_b [4.7621]
_cell_length_c [5.1666]
_cell_angle_alpha [114.2881]
_cell_angle_beta [114.7547]
_cell_angle_gamma [91.6994]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2HIO4]
_chemical_formula_sum '[Li2 H1 I1 O4]'
_cell_volume [92.0100]
_cell_formula_units_Z [1]
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  1  0.2877  0.7367  0.9939  1.0
  Li  Li1  1  0.5433  0.5029  0.5121  1.0
  H  H2  1  0.7945  0.9242  0.4732  1.0
  I  I3  1  0.8305  0.2546  0.0455  1.0
  O  O4  1  0.0879  0.4796  0.4913  1.0
  O  O5  1  0.4311  0.2005  0.0364  1.0
  O  O6  1  0.5885  0.9134  0.4824  1.0
  O  O7  1  0.8235  0.6011  0.9651  1.0
]