data_[Li4Ti2P2O8F2]
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 [P1]
_cell_length_a [5.4165]
_cell_length_b [5.4804]
_cell_length_c [7.3527]
_cell_angle_alpha [105.6820]
_cell_angle_beta [105.9545]
_cell_angle_gamma [95.8638]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2TiPO4F]
_chemical_formula_sum '[Li4 Ti2 P2 O8 F2]'
_cell_volume [198.3371]
_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  1  0.0094  0.5045  0.5211  1
  Li  Li1  1  0.4234  0.7666  0.8485  1
  Li  Li2  1  0.5467  0.1872  0.1596  1
  Li  Li3  1  0.8745  0.5387  0.1517  1
  Ti  Ti4  1  0.0073  0.0134  0.5031  1
  Ti  Ti5  1  0.9986  0.0021  0.9974  1
  P  P6  1  0.3790  0.6629  0.2377  1
  P  P7  1  0.6248  0.3393  0.7557  1
  O  O8  1  0.2163  0.7304  0.3829  1
  O  O9  1  0.2652  0.3811  0.1014  1
  O  O10  1  0.3328  0.3352  0.6531  1
  O  O11  1  0.3486  0.8534  0.1107  1
  O  O12  1  0.6548  0.1563  0.8904  1
  O  O13  1  0.6752  0.6800  0.3404  1
  O  O14  1  0.7410  0.6204  0.9023  1
  O  O15  1  0.7724  0.2681  0.6034  1
  F  F16  1  0.0896  0.8275  0.7288  1
  F  F17  1  0.9088  0.2051  0.2704  1
]