data_[Na4Li2I2F12]
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
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.2555]
_cell_length_b [5.5602]
_cell_length_c [5.3062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na2LiIF6]
_chemical_formula_sum '[Na4 Li2 I2 F12]'
_cell_volume [297.9270]
_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  0.2448  0.2742  0.7516  1.0
  Li  Li1  2  0.0000  0.7029  0.5000  1.0
  I  I2  2  0.0000  0.2291  0.0000  1.0
  F  F3  4  0.0945  0.9861  0.3338  1.0
  F  F4  4  0.0995  0.4752  0.2977  1.0
  F  F5  4  0.1586  0.6289  0.8185  1.0
]