data_[Li12V4O2F22]
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 [C2]
_cell_length_a [9.7579]
_cell_length_b [5.1136]
_cell_length_c [8.7322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li6V2OF11]
_chemical_formula_sum '[Li12 V4 O2 F22]'
_cell_volume [414.6857]
_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  4  0.0789  0.1221  0.6851  1.0
  Li  Li1  4  0.1502  0.6435  0.5586  1.0
  Li  Li2  4  0.1528  0.1128  0.0388  1.0
  V  V3  4  0.1070  0.6182  0.1945  1.0
  O  O4  2  0.0000  0.5004  0.0000  1.0
  F  F5  4  0.0029  0.9534  0.1560  1.0
  F  F6  4  0.0048  0.4736  0.3325  1.0
  F  F7  4  0.2337  0.3182  0.2392  1.0
  F  F8  4  0.2425  0.7705  0.3920  1.0
  F  F9  4  0.2465  0.7705  0.0979  1.0
  F  F10  2  0.0000  0.9182  0.5000  1.0
]