data_[Li3V1Cr1P2O8F2]
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
  Cr  1.6600  1.4000  0.9400
  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 [5.2931]
_cell_length_b [5.3831]
_cell_length_c [7.5544]
_cell_angle_alpha [106.4188]
_cell_angle_beta [109.1998]
_cell_angle_gamma [96.9368]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3VCrP2(O4F)2]
_chemical_formula_sum '[Li3 V1 Cr1 P2 O8 F2]'
_cell_volume [189.4827]
_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  1  0.2741  0.6010  0.1487  1.0
  Li  Li1  1  0.4934  0.0361  0.5096  1.0
  Li  Li2  1  0.7424  0.4110  0.8653  1.0
  V  V3  1  0.9999  0.9996  0.9992  1.0
  Cr  Cr4  1  0.9940  0.9965  0.5005  1.0
  P  P5  1  0.3327  0.6401  0.7582  1.0
  P  P6  1  0.6657  0.3565  0.2394  1.0
  O  O7  1  0.1321  0.6679  0.8738  1.0
  O  O8  1  0.2730  0.7890  0.6091  1.0
  O  O9  1  0.3231  0.3415  0.6595  1.0
  O  O10  1  0.3635  0.2457  0.0785  1.0
  O  O11  1  0.6358  0.7514  0.9176  1.0
  O  O12  1  0.6750  0.6540  0.3363  1.0
  O  O13  1  0.7221  0.2092  0.3898  1.0
  O  O14  1  0.8697  0.3283  0.1268  1.0
  F  F15  1  0.1635  0.9123  0.2491  1.0
  F  F16  1  0.8327  0.0935  0.7518  1.0
]