data_[Li8Ti4F20]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9201]
_cell_length_b [9.9079]
_cell_length_c [10.3134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2TiF5]
_chemical_formula_sum '[Li8 Ti4 F20]'
_cell_volume [400.5720]
_cell_formula_units_Z [4]
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  8  0.0000  0.1334  0.5478  1.0
  Ti  Ti1  4  0.0000  0.1848  0.2500  1.0
  F  F2  8  0.0000  0.0416  0.1190  1.0
  F  F3  8  0.0000  0.3050  0.0933  1.0
  F  F4  4  0.0000  0.2974  0.7500  1.0
]