data_[Li1V3O4F8]
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 [5.3536]
_cell_length_b [5.8738]
_cell_length_c [7.6566]
_cell_angle_alpha [67.4688]
_cell_angle_beta [69.9403]
_cell_angle_gamma [87.0481]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV3(OF2)4]
_chemical_formula_sum '[Li1 V3 O4 F8]'
_cell_volume [208.0134]
_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  0.3057  0.1095  0.3240  1.0
  V  V1  1  0.2788  0.5280  0.8370  1.0
  V  V2  1  0.6227  0.1408  0.6624  1.0
  V  V3  1  0.9417  0.9934  0.0315  1.0
  O  O4  1  0.0578  0.7482  0.9819  1.0
  O  O5  1  0.2720  0.2119  0.8299  1.0
  O  O6  1  0.5179  0.8424  0.7399  1.0
  O  O7  1  0.7699  0.1046  0.8496  1.0
  F  F8  1  0.1017  0.9551  0.2190  1.0
  F  F9  1  0.1492  0.6920  0.6417  1.0
  F  F10  1  0.3971  0.4174  0.0476  1.0
  F  F11  1  0.4858  0.2531  0.4543  1.0
  F  F12  1  0.6134  0.5126  0.6372  1.0
  F  F13  1  0.6218  0.9088  0.2386  1.0
  F  F14  1  0.9289  0.3594  0.0165  1.0
  F  F15  1  0.9524  0.2039  0.4684  1.0
]