data_[Na4Li4H8]
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 [Pna2_1]
_cell_length_a [5.8533]
_cell_length_b [6.8571]
_cell_length_c [5.1765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [NaLiH2]
_chemical_formula_sum '[Na4 Li4 H8]'
_cell_volume [207.7667]
_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  4  0.1034  0.1213  0.9856  1.0
  Li  Li1  4  0.0702  0.6258  0.0022  1.0
  H  H2  4  0.0418  0.5985  0.3567  1.0
  H  H3  4  0.1102  0.1504  0.4285  1.0
]