data_[Na6Li2F8]
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 [Pmn2_1]
_cell_length_a [7.5971]
_cell_length_b [6.4327]
_cell_length_c [4.6486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na3LiF4]
_chemical_formula_sum '[Na6 Li2 F8]'
_cell_volume [227.1747]
_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  0.2465  0.6721  0.0621  1.0
  Na  Na1  2  0.0000  0.8444  0.5619  1.0
  Li  Li2  2  0.0000  0.1727  0.0243  1.0
  F  F3  4  0.2294  0.3192  0.0679  1.0
  F  F4  2  0.0000  0.1799  0.6018  1.0
  F  F5  2  0.0000  0.8670  0.0674  1.0
]