data_[Li2V3O3F5]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8936]
_cell_length_b [5.9332]
_cell_length_c [5.9348]
_cell_angle_alpha [60.4415]
_cell_angle_beta [60.8353]
_cell_angle_gamma [62.0222]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2V3O3F5]
_chemical_formula_sum '[Li2 V3 O3 F5]'
_cell_volume [150.3157]
_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  0.2606  0.2443  0.2391  1
  Li  Li1  1  0.9909  0.0045  0.0149  1
  V  V2  1  0.1450  0.6406  0.6084  1
  V  V3  1  0.6103  0.6271  0.6131  1
  V  V4  1  0.6293  0.1244  0.6256  1
  O  O5  1  0.3694  0.8523  0.4082  1
  O  O6  1  0.3827  0.3768  0.8397  1
  O  O7  1  0.8554  0.8575  0.4302  1
  F  F8  1  0.3683  0.3731  0.4025  1
  F  F9  1  0.3909  0.8713  0.8533  1
  F  F10  1  0.8651  0.3731  0.3919  1
  F  F11  1  0.8813  0.3966  0.8367  1
  F  F12  1  0.8855  0.8710  0.8545  1
]