# generated using pymatgen
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04445000
_cell_length_b   4.50720205
_cell_length_c   4.50720205
_cell_angle_alpha   89.98372858
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VO2
_chemical_formula_sum   'V2 O4'
_cell_volume   61.84760433
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1.0
  V  V1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.00000000  0.29964200  0.29964200  1.0
  O  O3  1  0.00000000  0.70035800  0.70035800  1.0
  O  O4  1  0.50000000  0.79954500  0.20045500  1.0
  O  O5  1  0.50000000  0.20045500  0.79954500  1.0