data_[Li16V4O12F8]
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 [C2/c]
_cell_length_a [9.0285]
_cell_length_b [5.9063]
_cell_length_c [7.9414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li4VO3F2]
_chemical_formula_sum '[Li16 V4 O12 F8]'
_cell_volume [417.0845]
_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  8  0.0868  0.3440  0.9422  1.0
  Li  Li1  8  0.1994  0.1727  0.6348  1.0
  V  V2  4  0.0000  0.1590  0.2500  1.0
  O  O3  8  0.0934  0.3268  0.4304  1.0
  O  O4  4  0.0000  0.1403  0.7500  1.0
  F  F5  8  0.1945  0.1665  0.1494  1.0
]