data_V2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2InBr
_chemical_formula_sum   'V2 In1 Br1'
_cell_volume   80.13
_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  V2  1  0.0  0.0  0.45  1.0
  V  V3  1  0.61  0.61  0.6  1.0
  In  In1  1  0.61  0.61  0.44  1.0
  Br  Br0  1  0.0  0.0  0.14  1.0

data_V2InBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2InBr
_chemical_formula_sum   'V4 In2 Br2'
_cell_volume   160.25
_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  0.45  1.0
  V  V1  2  0.11  0.5  0.6  1.0
  In  In2  2  0.11  0.5  0.44  1.0
  Br  Br3  2  0.0  0.0  0.14  1.0

V V In Br
V V In Br 0 2 - - o 0 1 - - o 0 3 o o o 1 2 o o o 2 3 + + o 2 3 + o o 2 3 o + o 3 3 + o o 3 3 o + o 
V2InBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two V2InBr clusters. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one In(1) and one Br(1) atom. The V(1)-In(1) bond length is 1.79 Å. The V(1)-Br(1) bond length is 2.47 Å. In the second V site, V(2) is bonded in a single-bond geometry to one In(1) atom. The V(2)-In(1) bond length is 1.20 Å. In(1) is bonded in a distorted single-bond geometry to one V(1) and one V(2) atom. Br(1) is bonded in a distorted single-bond geometry to one V(1) atom.