data_[Li4V3O4F8]
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 [5.6323]
_cell_length_b [5.7550]
_cell_length_c [6.6064]
_cell_angle_alpha [97.7684]
_cell_angle_beta [99.7577]
_cell_angle_gamma [95.0515]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4V3(OF2)4]
_chemical_formula_sum '[Li4 V3 O4 F8]'
_cell_volume [207.7504]
_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  0.1664  0.3868  0.6088  1.0
  Li  Li1  1  0.4074  0.8789  0.6782  1.0
  Li  Li2  1  0.6944  0.3996  0.8329  1.0
  Li  Li3  1  0.8783  0.6848  0.4671  1.0
  V  V4  1  0.0049  0.0113  0.9920  1.0
  V  V5  1  0.3103  0.5879  0.1278  1.0
  V  V6  1  0.5989  0.1303  0.3318  1.0
  O  O7  1  0.1178  0.2953  0.9901  1.0
  O  O8  1  0.3329  0.9273  0.1405  1.0
  O  O9  1  0.5429  0.4252  0.2125  1.0
  O  O10  1  0.8594  0.0678  0.2410  1.0
  F  F11  1  0.0770  0.8876  0.7191  1.0
  F  F12  1  0.1701  0.5942  0.3821  1.0
  F  F13  1  0.3798  0.1912  0.5296  1.0
  F  F14  1  0.4086  0.5820  0.8424  1.0
  F  F15  1  0.6124  0.8452  0.4705  1.0
  F  F16  1  0.6816  0.0589  0.8571  1.0
  F  F17  1  0.8222  0.3762  0.5733  1.0
  F  F18  1  0.9348  0.6695  0.0032  1.0
]