data_[Na6Ti3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [9.1489]
_cell_length_b [9.1489]
_cell_length_c [4.5481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na2TiF6]
_chemical_formula_sum '[Na6 Ti3 F18]'
_cell_volume [329.6871]
_cell_formula_units_Z [3]
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  6  0.0000  0.3429  0.0000  1
  Ti  Ti1  2  0.3333  0.6667  0.5056  1
  Ti  Ti2  1  0.0000  0.0000  0.0000  1
  F  F3  6  0.0985  0.1970  0.2332  1
  F  F4  6  0.1371  0.5686  0.2722  1
  F  F5  6  0.2349  0.4698  0.7372  1
]