data_[Li4H12C4O12]
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 [Pna2_1]
_cell_length_a [10.0327]
_cell_length_b [6.6578]
_cell_length_c [4.8376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [LiH3CO3]
_chemical_formula_sum '[Li4 H12 C4 O12]'
_cell_volume [323.1285]
_cell_formula_units_Z [4]
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  4  0.0487  0.1200  0.2682  1
  H  H1  4  0.0196  0.5241  0.6595  1
  H  H2  4  0.1277  0.6055  0.8773  1
  H  H3  4  0.2159  0.6668  0.3724  1
  C  C4  4  0.1975  0.1130  0.7499  1
  O  O5  4  0.0301  0.6059  0.8295  1
  O  O6  4  0.0908  0.0750  0.8801  1
  O  O7  4  0.2136  0.0963  0.4905  1
]