data_[Na1Li2Ti1F6]
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
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2388]
_cell_length_b [5.3067]
_cell_length_c [5.6681]
_cell_angle_alpha [62.9571]
_cell_angle_beta [64.0659]
_cell_angle_gamma [60.8758]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaLi2TiF6]
_chemical_formula_sum '[Na1 Li2 Ti1 F6]'
_cell_volume [117.7837]
_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  0.8146  0.8129  0.5681  1.0
  Li  Li1  1  0.0376  0.9995  0.9363  1.0
  Li  Li2  1  0.5327  0.5433  0.4141  1.0
  Ti  Ti3  1  0.3214  0.3216  0.0373  1.0
  F  F4  1  0.1301  0.3685  0.7844  1.0
  F  F5  1  0.2406  0.9262  0.2396  1.0
  F  F6  1  0.3799  0.7127  0.7606  1.0
  F  F7  1  0.5608  0.2611  0.2522  1.0
  F  F8  1  0.7169  0.1277  0.7823  1.0
  F  F9  1  0.9270  0.5881  0.2402  1.0
]