data_[Li4V12O20F12]
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 [9.1068]
_cell_length_b [11.1484]
_cell_length_c [5.0895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiV3O5F3]
_chemical_formula_sum '[Li4 V12 O20 F12]'
_cell_volume [516.5722]
_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  0.4951  0.3343  0.2456  1
  V  V1  4  0.0077  0.3230  0.2795  1
  V  V2  4  0.2431  0.4181  0.7805  1
  V  V3  4  0.2512  0.0563  0.2369  1
  O  O4  4  0.1127  0.3153  0.5676  1
  O  O5  4  0.1373  0.4393  0.0954  1
  O  O6  4  0.1423  0.0493  0.5638  1
  O  O7  4  0.3706  0.0613  0.9137  1
  O  O8  4  0.3727  0.3089  0.8723  1
  F  F9  4  0.1216  0.1929  0.0917  1
  F  F10  4  0.3603  0.4460  0.4371  1
  F  F11  4  0.3855  0.1821  0.4160  1
]