data_[Li4V4O8F4]
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 [Pnma]
_cell_length_a [13.8259]
_cell_length_b [3.5207]
_cell_length_c [4.9043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiVO2F]
_chemical_formula_sum '[Li4 V4 O8 F4]'
_cell_volume [238.7255]
_cell_formula_units_Z [4]
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  4  0.1706  0.7500  0.6331  1.0
  V  V1  4  0.0824  0.2500  0.0993  1.0
  O  O2  4  0.0621  0.7500  0.9367  1.0
  O  O3  4  0.1090  0.2500  0.4306  1.0
  F  F4  4  0.2098  0.2500  0.9225  1.0
]