# generated using pymatgen
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15007795
_cell_length_b   5.15007795
_cell_length_c   5.15007884
_cell_angle_alpha   33.74956064
_cell_angle_beta   33.74956064
_cell_angle_gamma   33.74956483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VO2
_chemical_formula_sum   'V1 O2'
_cell_volume   37.56557826
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1.0
  O  O1  1  0.76800600  0.76800600  0.76800600  1.0
  O  O2  1  0.23199400  0.23199400  0.23199400  1.0