data_[Li6V2O1F11]
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 [5.0929]
_cell_length_b [5.4874]
_cell_length_c [8.7954]
_cell_angle_alpha [73.9481]
_cell_angle_beta [89.3253]
_cell_angle_gamma [62.7715]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li6V2OF11]
_chemical_formula_sum '[Li6 V2 O1 F11]'
_cell_volume [208.1425]
_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  0.0267  0.9436  0.6662  1.0
  Li  Li1  1  0.2413  0.5499  0.0709  1.0
  Li  Li2  1  0.5498  0.9423  0.1851  1.0
  Li  Li3  1  0.7072  0.5644  0.5875  1.0
  Li  Li4  1  0.7999  0.3977  0.9456  1.0
  Li  Li5  1  0.9390  0.1048  0.3050  1.0
  V  V6  1  0.2560  0.4641  0.4356  1.0
  V  V7  1  0.4920  0.0248  0.8304  1.0
  O  O8  1  0.2210  0.2598  0.6152  1.0
  F  F9  1  0.2155  0.2652  0.2936  1.0
  F  F10  1  0.2286  0.2336  0.9625  1.0
  F  F11  1  0.2778  0.7371  0.2387  1.0
  F  F12  1  0.2795  0.7435  0.5291  1.0
  F  F13  1  0.3112  0.7698  0.8645  1.0
  F  F14  1  0.6676  0.2478  0.1249  1.0
  F  F15  1  0.6930  0.2640  0.4649  1.0
  F  F16  1  0.7165  0.2426  0.7802  1.0
  F  F17  1  0.7751  0.7589  0.7223  1.0
  F  F18  1  0.7793  0.7468  0.0281  1.0
  F  F19  1  0.8288  0.7312  0.3855  1.0
]