data_[Na8Li4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2491]
_cell_length_b [4.6968]
_cell_length_c [6.4386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2LiH3]
_chemical_formula_sum '[Na8 Li4 H12]'
_cell_volume [294.2594]
_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
[
  Na  Na0  8  0.1647  0.4998  0.0823  1.0
  Li  Li1  4  0.0000  0.0284  0.7500  1.0
  H  H2  8  0.1488  0.0002  0.5746  1.0
  H  H3  4  0.0000  0.4658  0.7500  1.0
]