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 [Cm]
_cell_length_a [5.6204]
_cell_length_b [8.2998]
_cell_length_c [5.2972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VO2]
_chemical_formula_sum '[V6 O12]'
_cell_volume [213.5352]
_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  4  0.4978  0.3198  0.5087  1.0
  V  V1  2  0.0143  0.0000  0.0199  1.0
  O  O2  4  0.1998  0.1702  0.2694  1.0
  O  O3  4  0.2805  0.3304  0.7038  1.0
  O  O4  2  0.1865  0.0000  0.7751  1.0
  O  O5  2  0.3141  0.5000  0.2413  1.0
]