data_[V6O12]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0176]
_cell_length_b [5.0234]
_cell_length_c [9.1590]
_cell_angle_alpha [92.4115]
_cell_angle_beta [91.2681]
_cell_angle_gamma [111.7853]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VO2]
_chemical_formula_sum '[V6 O12]'
_cell_volume [213.9996]
_cell_formula_units_Z [6]
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  1  0.0033  0.9927  0.0005  1.0
  V  V1  1  0.0764  0.4340  0.2383  1.0
  V  V2  1  0.4492  0.0728  0.2620  1.0
  V  V3  1  0.5007  0.4997  0.5002  1.0
  V  V4  1  0.5686  0.9338  0.7602  1.0
  V  V5  1  0.9237  0.5525  0.7399  1.0
  O  O6  1  0.0960  0.7407  0.1398  1.0
  O  O7  1  0.2036  0.2133  0.3891  1.0
  O  O8  1  0.2437  0.5903  0.6420  1.0
  O  O9  1  0.2515  0.9101  0.8626  1.0
  O  O10  1  0.3187  0.2860  0.1200  1.0
  O  O11  1  0.4133  0.7525  0.3572  1.0
  O  O12  1  0.6013  0.2617  0.6412  1.0
  O  O13  1  0.7056  0.6899  0.8805  1.0
  O  O14  1  0.7425  0.3940  0.3588  1.0
  O  O15  1  0.7793  0.0942  0.1386  1.0
  O  O16  1  0.7850  0.7996  0.6115  1.0
  O  O17  1  0.8950  0.2247  0.8577  1.0
]