data_V(BrO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   4.62
_cell_length_c   12.35
_cell_angle_alpha   90.0
_cell_angle_beta   94.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(BrO2)3
_chemical_formula_sum   'V2 Br6 O12'
_cell_volume   342.49
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.5  0.31  0.15  1.0
  Br  Br2  1  0.51  0.0  0.15  1.0
  Br  Br3  1  0.01  0.31  0.0  1.0
  Br  Br4  1  0.73  0.57  0.33  1.0
  Br  Br5  1  0.79  0.88  0.82  1.0
  Br  Br6  1  0.28  0.05  0.97  1.0
  Br  Br7  1  0.23  0.74  0.48  1.0
  O  O8  1  0.77  0.37  0.35  1.0
  O  O9  1  0.74  0.06  0.8  1.0
  O  O10  1  0.24  0.25  0.95  1.0
  O  O11  1  0.27  0.56  0.5  1.0
  O  O12  1  0.42  0.13  0.72  1.0
  O  O13  1  0.09  0.82  0.73  1.0
  O  O14  1  0.59  0.49  0.58  1.0
  O  O15  1  0.93  0.8  0.57  1.0
  O  O16  1  0.38  0.79  0.32  1.0
  O  O17  1  0.14  0.48  0.83  1.0
  O  O18  1  0.63  0.83  0.98  1.0
  O  O19  1  0.88  0.14  0.47  1.0

data_V(BrO2)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   6.02
_cell_length_c   12.35
_cell_angle_alpha   94.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(BrO2)3
_chemical_formula_sum   'V2 Br6 O12'
_cell_volume   342.49
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.69  0.5  0.85  1.0
  Br  Br2  1  0.0  0.49  0.85  1.0
  Br  Br3  1  0.12  0.21  0.18  1.0
  Br  Br4  1  0.26  0.77  0.52  1.0
  Br  Br5  1  0.43  0.27  0.67  1.0
  Br  Br6  1  0.69  0.99  0.0  1.0
  Br  Br7  1  0.95  0.72  0.03  1.0
  O  O8  1  0.17  0.37  0.02  1.0
  O  O9  1  0.18  0.91  0.27  1.0
  O  O10  1  0.2  0.07  0.43  1.0
  O  O11  1  0.21  0.62  0.68  1.0
  O  O12  1  0.44  0.73  0.5  1.0
  O  O13  1  0.51  0.41  0.42  1.0
  O  O14  1  0.52  0.86  0.17  1.0
  O  O15  1  0.63  0.23  0.65  1.0
  O  O16  1  0.75  0.76  0.05  1.0
  O  O17  1  0.86  0.12  0.53  1.0
  O  O18  1  0.87  0.58  0.28  1.0
  O  O19  1  0.94  0.26  0.2  1.0

V V Br Br Br Br Br Br O O O O O O O O O O O O
V V Br Br Br Br Br Br O O O O O O O O O O O O 0 3 o o o 0 18 - - - 1 2 o o o 2 16 o - o 2 18 o - - 3 10 o o - 4 8 o o o 4 16 o o o 5 9 o + o 5 12 o + o 5 13 + o o 5 18 o o o 6 10 o o o 6 18 o - o 7 11 o o o 7 14 o o o 7 15 - o o 7 16 o o o 8 19 o o o 9 12 o o o 9 18 o - o 10 17 o o o 11 14 o o o 11 16 o o o 12 13 o - o 12 17 o o o 12 14 o o o 13 15 - o o 13 17 o o o 14 19 o o o 14 15 o o o 15 19 o + o 