data_[Na1Li2Ni1F6]
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 [P1]
_cell_length_a [5.1038]
_cell_length_b [5.1932]
_cell_length_c [5.5314]
_cell_angle_alpha [63.3079]
_cell_angle_beta [64.2292]
_cell_angle_gamma [60.7813]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaLi2NiF6]
_chemical_formula_sum '[Na1 Li2 Ni1 F6]'
_cell_volume [109.8674]
_cell_formula_units_Z [1]
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  1  0.8116  0.8103  0.5694  1.0
  Li  Li1  1  0.0273  0.9983  0.9538  1.0
  Li  Li2  1  0.5328  0.5388  0.4118  1.0
  Ni  Ni3  1  0.3257  0.3227  0.0256  1.0
  F  F4  1  0.1360  0.3717  0.7902  1.0
  F  F5  1  0.2461  0.9374  0.2389  1.0
  F  F6  1  0.3764  0.7123  0.7738  1.0
  F  F7  1  0.5547  0.2570  0.2387  1.0
  F  F8  1  0.7138  0.1395  0.7736  1.0
  F  F9  1  0.9373  0.5735  0.2394  1.0
]