data_[Li18H12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7188]
_cell_length_b [2.8119]
_cell_length_c [8.7758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3H2]
_chemical_formula_sum '[Li18 H12]'
_cell_volume [303.2177]
_cell_formula_units_Z [6]
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  0.0014  0.5000  0.3169  1.0
  Li  Li1  4  0.1656  0.0000  0.8997  1.0
  Li  Li2  4  0.1666  0.0000  0.5423  1.0
  Li  Li3  4  0.1695  0.0000  0.2191  1.0
  Li  Li4  2  0.0000  0.5000  0.0000  1.0
  H  H5  4  0.0070  0.0000  0.1634  1.0
  H  H6  4  0.1675  0.5000  0.0470  1.0
  H  H7  4  0.1699  0.5000  0.3856  1.0
]