data_[Na1Li2Ti1F8]
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 [P2/m]
_cell_length_a [4.6662]
_cell_length_b [6.6102]
_cell_length_c [4.7781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaLi2TiF8]
_chemical_formula_sum '[Na1 Li2 Ti1 F8]'
_cell_volume [147.3751]
_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  0.0000  0.5000  0.0000  1.0
  Li  Li1  2  0.5000  0.2249  0.5000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.2081  0.2074  0.8192  1.0
  F  F4  2  0.2726  0.0000  0.2971  1.0
  F  F5  2  0.3257  0.5000  0.3848  1.0
]