data_[Li2H12I2O14]
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 [P-1]
_cell_length_a [5.2912]
_cell_length_b [5.8993]
_cell_length_c [9.7651]
_cell_angle_alpha [102.8651]
_cell_angle_beta [97.8573]
_cell_angle_gamma [106.8756]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiH6IO7]
_chemical_formula_sum '[Li2 H12 I2 O14]'
_cell_volume [277.6629]
_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  0.2149  0.1730  0.0685  1
  H  H1  2  0.1824  0.7484  0.8869  1
  H  H2  2  0.1923  0.7349  0.0547  1
  H  H3  2  0.1965  0.8492  0.2490  1
  H  H4  2  0.3311  0.0434  0.5457  1
  H  H5  2  0.3736  0.6941  0.2892  1
  H  H6  2  0.3946  0.7647  0.7062  1
  I  I7  2  0.1001  0.2793  0.4186  1
  O  O8  2  0.1533  0.8251  0.9835  1
  O  O9  2  0.2121  0.6746  0.7182  1
  O  O10  2  0.2127  0.6820  0.2189  1
  O  O11  2  0.2322  0.1484  0.2617  1
  O  O12  2  0.2885  0.2302  0.8603  1
  O  O13  2  0.3976  0.4600  0.9115  1
  O  O14  2  0.4096  0.2166  0.5466  1
]