data_[Li4Ti2Sn2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1823]
_cell_length_b [6.5059]
_cell_length_c [7.0414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2TiSnF8]
_chemical_formula_sum '[Li4 Ti2 Sn2 F16]'
_cell_volume [326.3762]
_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
[
  Li  Li0  4  0.0378  0.5000  0.7167  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.0032  0.2020  0.8009  1
  F  F4  4  0.1797  0.5000  0.4948  1
  F  F5  4  0.2399  0.5000  0.9572  1
]