data_[Na8Li8]
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 [P2_12_12_1]
_cell_length_a [6.0540]
_cell_length_b [6.6032]
_cell_length_c [11.3620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [NaLi]
_chemical_formula_sum '[Na8 Li8]'
_cell_volume [454.2075]
_cell_formula_units_Z [8]
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  0.0320  0.7641  0.7605  1.0
  Na  Na1  4  0.2265  0.6200  0.4802  1.0
  Li  Li2  4  0.0073  0.9996  0.2782  1.0
  Li  Li3  4  0.2351  0.8645  0.0234  1.0
]