data_[Li4V2P2O8F2]
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 [P1]
_cell_length_a [5.4233]
_cell_length_b [5.4384]
_cell_length_c [7.4482]
_cell_angle_alpha [106.9387]
_cell_angle_beta [106.7592]
_cell_angle_gamma [95.2745]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2VPO4F]
_chemical_formula_sum '[Li4 V2 P2 O8 F2]'
_cell_volume [197.4749]
_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  0.0099  0.5031  0.5239  1.0
  Li  Li1  1  0.4173  0.7629  0.8480  1.0
  Li  Li2  1  0.5515  0.1912  0.1660  1.0
  Li  Li3  1  0.8715  0.5390  0.1509  1.0
  V  V4  1  0.0071  0.0116  0.5035  1.0
  V  V5  1  0.9991  0.0033  0.9943  1.0
  P  P6  1  0.3782  0.6603  0.2343  1.0
  P  P7  1  0.6256  0.3439  0.7579  1.0
  O  O8  1  0.2138  0.7260  0.3756  1.0
  O  O9  1  0.2630  0.3751  0.0926  1.0
  O  O10  1  0.3319  0.3449  0.6566  1.0
  O  O11  1  0.3503  0.8552  0.1135  1.0
  O  O12  1  0.6553  0.1611  0.8892  1.0
  O  O13  1  0.6763  0.6722  0.3379  1.0
  O  O14  1  0.7443  0.6297  0.9104  1.0
  O  O15  1  0.7714  0.2730  0.6070  1.0
  F  F16  1  0.0878  0.8421  0.7289  1.0
  F  F17  1  0.9140  0.1775  0.2682  1.0
]