data_[Li10H2]
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 [P6mm]
_cell_length_a [7.3960]
_cell_length_b [7.3960]
_cell_length_c [17.0399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Li5H]
_chemical_formula_sum '[Li10 H2]'
_cell_volume [807.2231]
_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  6  0.2139  0.4277  0.5511  1
  Li  Li1  3  0.0000  0.5000  0.4313  1
  Li  Li2  1  0.0000  0.0000  0.4625  1
  H  H3  2  0.3333  0.6667  0.4686  1
]