data_[Li1V4O1F11]
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 [5.2577]
_cell_length_b [5.5229]
_cell_length_c [9.0358]
_cell_angle_alpha [73.3182]
_cell_angle_beta [89.5669]
_cell_angle_gamma [61.9591]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV4OF11]
_chemical_formula_sum '[Li1 V4 O1 F11]'
_cell_volume [219.3010]
_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  0.1419  0.7148  0.3703  1.0
  V  V1  1  0.2487  0.4936  0.7571  1.0
  V  V2  1  0.4992  0.9991  0.5011  1.0
  V  V3  1  0.7610  0.5173  0.2383  1.0
  V  V4  1  0.9950  0.9880  0.0085  1.0
  O  O5  1  0.9313  0.7499  0.1831  1.0
  F  F6  1  0.0010  0.2336  0.1296  1.0
  F  F7  1  0.0106  0.7610  0.8658  1.0
  F  F8  1  0.0682  0.2522  0.8230  1.0
  F  F9  1  0.0694  0.2566  0.4304  1.0
  F  F10  1  0.4291  0.7435  0.6766  1.0
  F  F11  1  0.4332  0.7387  0.0694  1.0
  F  F12  1  0.4742  0.2552  0.6208  1.0
  F  F13  1  0.4915  0.7577  0.3771  1.0
  F  F14  1  0.5635  0.2516  0.9306  1.0
  F  F15  1  0.5730  0.2563  0.3275  1.0
  F  F16  1  0.9422  0.7438  0.5583  1.0
]