data_VBBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBBr2
_chemical_formula_sum   'V1 B1 Br2'
_cell_volume   79.3
_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  0.0  0.46  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.69  0.69  0.86  1.0
  Br  Br2  1  0.69  0.69  0.06  1.0

data_VBBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VBBr2
_chemical_formula_sum   'V2 B2 Br4'
_cell_volume   158.59
_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  2  0.0  0.0  0.46  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.19  0.5  0.06  1.0
  Br  Br3  2  0.19  0.5  0.86  1.0

V B Br Br
VBBr2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a distorted bent 120 degrees geometry to one Br(1) and one Br(2) atom. The V(1)-Br(1) bond length is 3.12 Å. The V(1)-Br(2) bond length is 3.12 Å. B(1) is bonded in a 2-coordinate geometry to one Br(2) and three equivalent Br(1) atoms. The B(1)-Br(2) bond length is 1.54 Å. There is one shorter (1.77 Å) and two longer (2.75 Å) B(1)-Br(1) bond lengths. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one V(1), three equivalent B(1), and one Br(2) atom. The Br(1)-Br(2) bond length is 1.43 Å. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one V(1), one B(1), and one Br(1) atom.