data_[Na6Li4Ni2F12]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3766]
_cell_length_b [9.7621]
_cell_length_c [5.3806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Li2NiF6]
_chemical_formula_sum '[Na6 Li4 Ni2 F12]'
_cell_volume [269.1129]
_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  0.0000  0.1632  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Li  Li2  4  0.0000  0.3244  0.0000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  F  F4  8  0.2382  0.3230  0.7684  1
  F  F5  4  0.2440  0.5000  0.2272  1
]