data_V2BBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   137.88
_cell_angle_beta   137.88
_cell_angle_gamma   61.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BBr2
_chemical_formula_sum   'V2 B1 Br2'
_cell_volume   100.57
_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  V3  1  0.0  0.19  0.62  1.0
  V  V4  1  0.19  0.0  0.62  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.73  1.0
  Br  Br2  1  0.0  0.0  0.77  1.0

data_V2BBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   120.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2BBr2
_chemical_formula_sum   'V4 B2 Br4'
_cell_volume   201.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.47  0.09  0.57  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.23  0.0  0.23  1.0
  Br  Br3  2  0.27  0.0  0.27  1.0

V V B Br Br
V V B Br Br 0 1 o o o 2 4 o o - 2 3 o o - 3 4 o o o 
V2BBr2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two V2BBr2 clusters. V(1) is bonded in a 2-coordinate geometry to one V(1) and one Br(1) atom. The V(1)-V(1) bond length is 1.17 Å. The V(1)-Br(1) bond length is 1.67 Å. B(1) is bonded in a single-bond geometry to one Br(2) atom. The B(1)-Br(2) bond length is 1.42 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Br(2) atom. The Br(1)-Br(2) bond length is 0.25 Å. In the second Br site, Br(2) is bonded in a linear geometry to one B(1) and one Br(1) atom.