data_[Li2H6O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2500]
_cell_length_b [5.5775]
_cell_length_c [5.6798]
_cell_angle_alpha [96.0730]
_cell_angle_beta [104.5276]
_cell_angle_gamma [104.9187]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiH3O2]
_chemical_formula_sum '[Li2 H6 O4]'
_cell_volume [94.6952]
_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  0.0060  0.6570  0.8501  1.0
  H  H1  2  0.1700  0.2710  0.7640  1.0
  H  H2  2  0.3555  0.0175  0.2585  1.0
  H  H3  2  0.3598  0.7483  0.5216  1.0
  O  O4  2  0.1132  0.7172  0.2146  1.0
  O  O5  2  0.4985  0.2096  0.2929  1.0
]