data_[Li4V3O1F11]
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 [5.5998]
_cell_length_b [6.2031]
_cell_length_c [6.4247]
_cell_angle_alpha [103.1700]
_cell_angle_beta [101.0319]
_cell_angle_gamma [97.5636]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4V3OF11]
_chemical_formula_sum '[Li4 V3 O1 F11]'
_cell_volume [209.6687]
_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  0.1391  0.3328  0.5393  1.0
  Li  Li1  1  0.3835  0.8715  0.6432  1.0
  Li  Li2  1  0.6148  0.1449  0.3596  1.0
  Li  Li3  1  0.8558  0.6626  0.4478  1.0
  V  V4  1  0.2983  0.6191  0.1373  1.0
  V  V5  1  0.6995  0.3955  0.8679  1.0
  V  V6  1  0.9915  0.9751  0.9989  1.0
  O  O7  1  0.9438  0.6739  0.0266  1.0
  F  F8  1  0.0586  0.8958  0.7056  1.0
  F  F9  1  0.0785  0.3031  0.9708  1.0
  F  F10  1  0.1670  0.5762  0.3967  1.0
  F  F11  1  0.3407  0.9526  0.1311  1.0
  F  F12  1  0.4229  0.2075  0.6008  1.0
  F  F13  1  0.4311  0.5944  0.8517  1.0
  F  F14  1  0.5714  0.7988  0.4029  1.0
  F  F15  1  0.5718  0.4142  0.1555  1.0
  F  F16  1  0.6632  0.0563  0.8732  1.0
  F  F17  1  0.8336  0.4171  0.6047  1.0
  F  F18  1  0.9348  0.1086  0.2864  1.0
]