data_[Li12V4O12F8]
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 [Cc]
_cell_length_a [9.0230]
_cell_length_b [5.7343]
_cell_length_c [8.0777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li3VO3F2]
_chemical_formula_sum '[Li12 V4 O12 F8]'
_cell_volume [415.0044]
_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  0.0893  0.3377  0.4340  1.0
  Li  Li1  4  0.2029  0.1733  0.1281  1.0
  Li  Li2  4  0.3925  0.1843  0.5714  1.0
  V  V3  4  0.0019  0.1734  0.7546  1.0
  O  O4  4  0.0090  0.1285  0.2461  1.0
  O  O5  4  0.0873  0.3125  0.9279  1.0
  O  O6  4  0.4203  0.1604  0.0907  1.0
  F  F7  4  0.1877  0.1715  0.6324  1.0
  F  F8  4  0.3075  0.3152  0.3480  1.0
]