data_[V12O20F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [8.9739]
_cell_length_b [6.4780]
_cell_length_c [7.3172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V3O5F]
_chemical_formula_sum '[V12 O20 F4]'
_cell_volume [387.1233]
_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
[
  V  V0  2  0.1615  0.5000  0.1570  1.0
  V  V1  2  0.1798  0.5000  0.6710  1.0
  V  V2  2  0.3271  0.0000  0.8459  1.0
  V  V3  2  0.3455  0.0000  0.3186  1.0
  V  V4  2  0.4936  0.5000  0.9924  1.0
  V  V5  2  0.4987  0.5000  0.5144  1.0
  O  O6  4  0.0054  0.2990  0.0092  1.0
  O  O7  4  0.1595  0.2005  0.6595  1.0
  O  O8  4  0.3362  0.2964  0.3335  1.0
  O  O9  2  0.0694  0.5000  0.3725  1.0
  O  O10  2  0.2315  0.0000  0.0389  1.0
  O  O11  2  0.2547  0.5000  0.9543  1.0
  O  O12  2  0.3959  0.5000  0.6921  1.0
  F  F13  2  0.1040  0.0000  0.3043  1.0
  F  F14  2  0.4362  0.0000  0.6342  1.0
]