data_[Na4Li4F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [4.6088]
_cell_length_b [8.4331]
_cell_length_c [4.5923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [NaLiF2]
_chemical_formula_sum '[Na4 Li4 F8]'
_cell_volume [178.4832]
_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  0.0031  0.8749  0.4470  1
  Li  Li1  4  0.0355  0.6253  0.9773  1
  F  F2  4  0.0035  0.6040  0.4075  1
  F  F3  4  0.0385  0.1462  0.4412  1
]