# generated using pymatgen
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50495600
_cell_length_b   5.43380800
_cell_length_c   5.43648490
_cell_angle_alpha   67.98565538
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VO2
_chemical_formula_sum   'V4 O8'
_cell_volume   123.37720958
_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  1  0.50421600  0.74518400  0.75083300  1.0
  V  V1  1  0.00421600  0.75481600  0.24916700  1.0
  V  V2  1  0.49578400  0.25481600  0.24916700  1.0
  V  V3  1  0.99578400  0.24518400  0.75083300  1.0
  O  O4  1  0.29831500  0.40094000  0.89984500  1.0
  O  O5  1  0.79831500  0.09906000  0.10015500  1.0
  O  O6  1  0.70168500  0.59906000  0.10015500  1.0
  O  O7  1  0.20168500  0.90094000  0.89984500  1.0
  O  O8  1  0.79862900  0.60095000  0.59919400  1.0
  O  O9  1  0.29862900  0.89905000  0.40080600  1.0
  O  O10  1  0.20137100  0.39905000  0.40080600  1.0
  O  O11  1  0.70137100  0.10095000  0.59919400  1.0