data_[Li4H4O4]
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 [C2/m]
_cell_length_a [13.2513]
_cell_length_b [2.8660]
_cell_length_c [2.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHO]
_chemical_formula_sum '[Li4 H4 O4]'
_cell_volume [111.2156]
_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  0.0972  0.0000  0.2569  1
  H  H1  4  0.1897  0.5000  0.7636  1
  O  O2  4  0.1160  0.5000  0.7595  1
]