data_[Li2V2P2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  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 [5.2775]
_cell_length_b [5.4017]
_cell_length_c [7.4710]
_cell_angle_alpha [108.5219]
_cell_angle_beta [107.7816]
_cell_angle_gamma [97.2485]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiVPO4F]
_chemical_formula_sum '[Li2 V2 P2 O8 F2]'
_cell_volume [186.3320]
_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  0.4827  0.3275  0.7132  1.0
  V  V1  1  0.0000  0.5000  0.5000  1.0
  V  V2  1  0.5000  0.0000  0.0000  1.0
  P  P3  2  0.0876  0.9052  0.2619  1.0
  O  O4  2  0.1753  0.7091  0.3700  1.0
  O  O5  2  0.1853  0.1988  0.4226  1.0
  O  O6  2  0.2281  0.1740  0.8525  1.0
  O  O7  2  0.2479  0.8711  0.1179  1.0
  F  F8  2  0.3482  0.6520  0.7550  1.0
]