data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VO2
_chemical_formula_sum   'V4 O8'
_cell_volume   139.42
_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  0.49  0.72  0.75  1.0
  V  V1  1  0.49  0.28  0.16  1.0
  V  V2  1  0.49  0.72  0.2  1.0
  V  V3  1  0.49  0.28  0.7  1.0
  O  O4  1  0.49  0.23  0.95  1.0
  O  O5  1  0.49  0.77  0.96  1.0
  O  O6  1  0.49  0.77  0.9  1.0
  O  O7  1  0.49  0.23  0.0  1.0
  O  O8  1  0.49  0.28  0.48  1.0
  O  O9  1  0.49  0.72  0.43  1.0
  O  O10  1  0.0  0.0  0.0  1.0
  O  O11  1  0.0  0.0  0.95  1.0

data_VO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.96
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VO2
_chemical_formula_sum   'V4 O8'
_cell_volume   139.42
_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  0.28  0.77  0.2  1.0
  V  V1  1  0.28  0.77  0.75  1.0
  V  V2  1  0.72  0.21  0.16  1.0
  V  V3  1  0.72  0.21  0.7  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.0  0.0  0.95  1.0
  O  O6  1  0.23  0.72  0.9  1.0
  O  O7  1  0.23  0.72  0.96  1.0
  O  O8  1  0.28  0.77  0.43  1.0
  O  O9  1  0.72  0.2  0.48  1.0
  O  O10  1  0.77  0.26  0.0  1.0
  O  O11  1  0.77  0.26  0.95  1.0

V V V V O O O O O O O O
V V V V O O O O O O O O 0 6 o o o 0 3 o o o 1 7 o o o 1 2 o - o 1 2 o o o 2 5 o o - 2 9 o o o 2 10 + + o 3 8 o o o 3 4 o o o 4 7 o o + 5 6 o o o 8 9 o o o 10 11 o o - 