data_[Li2Ti2P2O8F2]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2334]
_cell_length_b [5.4267]
_cell_length_c [7.4969]
_cell_angle_alpha [106.1737]
_cell_angle_beta [108.7660]
_cell_angle_gamma [97.7043]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTiPO4F]
_chemical_formula_sum '[Li2 Ti2 P2 O8 F2]'
_cell_volume [187.6674]
_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  2  0.2629  0.6109  0.1802  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3206  0.6369  0.7667  1.0
  O  O4  2  0.1344  0.6570  0.8947  1.0
  O  O5  2  0.2333  0.7852  0.6179  1.0
  O  O6  2  0.3159  0.3467  0.6627  1.0
  O  O7  2  0.3686  0.2384  0.0894  1.0
  F  F8  2  0.1296  0.9243  0.2642  1.0
]