data_[Li1H3C2O5]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6060]
_cell_length_b [5.1912]
_cell_length_c [6.1607]
_cell_angle_alpha [79.1363]
_cell_angle_beta [84.9505]
_cell_angle_gamma [77.6058]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiH3C2O5]
_chemical_formula_sum '[Li1 H3 C2 O5]'
_cell_volume [110.4826]
_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  0.9299  0.1344  0.2988  1.0
  H  H1  1  0.3095  0.4964  0.3491  1.0
  H  H2  1  0.3647  0.4536  0.1030  1.0
  H  H3  1  0.6329  0.3529  0.7309  1.0
  C  C4  1  0.2106  0.7599  0.6915  1.0
  C  C5  1  0.9923  0.9967  0.8035  1.0
  O  O6  1  0.0075  0.9977  0.0020  1.0
  O  O7  1  0.1753  0.7756  0.4886  1.0
  O  O8  1  0.3662  0.3532  0.2570  1.0
  O  O9  1  0.4124  0.5675  0.8187  1.0
  O  O10  1  0.7979  0.1862  0.6589  1.0
]