data_[Na6Li16]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1237]
_cell_length_b [5.2550]
_cell_length_c [33.0223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na3Li8]
_chemical_formula_sum '[Na6 Li16]'
_cell_volume [542.0636]
_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
[
  Na  Na0  4  0.0000  0.5000  0.1401  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Li  Li2  4  0.0000  0.0000  0.2660  1
  Li  Li3  4  0.0000  0.0000  0.4533  1
  Li  Li4  4  0.0000  0.5000  0.3137  1
  Li  Li5  4  0.0000  0.5000  0.4068  1
]