data_[Na4Li2F8]
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 [P2_1/m]
_cell_length_a [5.9470]
_cell_length_b [4.4989]
_cell_length_c [7.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na2LiF4]
_chemical_formula_sum '[Na4 Li2 F8]'
_cell_volume [174.3965]
_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  2  0.1892  0.7500  0.4569  1.0
  Na  Na1  2  0.2711  0.7500  0.9277  1.0
  Li  Li2  2  0.2233  0.2500  0.1864  1.0
  F  F3  4  0.4974  0.0025  0.2370  1.0
  F  F4  2  0.0184  0.2500  0.9100  1.0
  F  F5  2  0.0671  0.2500  0.3656  1.0
]