data_[Li2V1Fe1P2O8F2]
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
  Fe  1.8300  1.4000  0.8525
  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 [5.2249]
_cell_length_b [5.3695]
_cell_length_c [7.4120]
_cell_angle_alpha [106.8374]
_cell_angle_beta [108.6920]
_cell_angle_gamma [97.8388]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2VFeP2(O4F)2]
_chemical_formula_sum '[Li2 V1 Fe1 P2 O8 F2]'
_cell_volume [182.4103]
_cell_formula_units_Z [1]
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  0.2736  0.6183  0.1837  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3213  0.6410  0.7634  1.0
  O  O4  2  0.1297  0.6651  0.8903  1.0
  O  O5  2  0.2470  0.7885  0.6129  1.0
  O  O6  2  0.3070  0.3410  0.6591  1.0
  O  O7  2  0.3689  0.2469  0.0850  1.0
  F  F8  2  0.1318  0.9281  0.2658  1.0
]