data_AsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsBr2
_chemical_formula_sum   'As4 Br8'
_cell_volume   419.23
_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
  As  As0  1  0.41  0.97  0.37  1.0
  As  As1  1  0.0  0.94  0.57  1.0
  As  As2  1  0.0  0.94  0.04  1.0
  As  As3  1  0.41  0.97  0.83  1.0
  Br  Br4  1  0.0  0.0  0.2  1.0
  Br  Br5  1  0.0  0.0  0.0  1.0
  Br  Br6  1  0.67  0.9  0.8  1.0
  Br  Br7  1  0.74  0.01  0.6  1.0
  Br  Br8  1  0.33  0.9  0.8  1.0
  Br  Br9  1  0.0  0.01  0.8  1.0
  Br  Br10  1  0.41  0.89  0.6  1.0
  Br  Br11  1  0.08  0.01  0.6  1.0

data_AsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsBr2
_chemical_formula_sum   'As4 Br8'
_cell_volume   419.23
_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
  As  As0  1  0.0  0.94  0.04  1.0
  As  As1  1  0.0  0.94  0.57  1.0
  As  As2  1  0.41  0.97  0.37  1.0
  As  As3  1  0.41  0.97  0.83  1.0
  Br  Br4  1  0.0  0.0  0.0  1.0
  Br  Br5  1  0.0  0.0  0.2  1.0
  Br  Br6  1  0.0  0.01  0.8  1.0
  Br  Br7  1  0.08  0.01  0.6  1.0
  Br  Br8  1  0.33  0.9  0.8  1.0
  Br  Br9  1  0.41  0.89  0.6  1.0
  Br  Br10  1  0.67  0.9  0.8  1.0
  Br  Br11  1  0.74  0.01  0.6  1.0

As As As As Br Br Br Br Br Br Br Br
As As As As Br Br Br Br Br Br Br Br 0 10 o o o 1 11 o + o 1 7 - + o 1 9 o + o 2 5 o + o 2 4 o + o 2 9 o + - 3 8 o o o 3 6 o o o 3 10 o o o 4 5 o o o 5 9 o o - 6 8 o o o 6 7 o + o 6 9 + + o 7 10 o - o 7 11 + o o 8 10 o o o 9 11 o o o 
AsBr2 is Magnesium structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one bromoarsine molecule and one As3Br7 cluster. In the As3Br7 cluster, there are three inequivalent As sites. In the first As site, As(2) is bonded in a single-bond geometry to one Br(4) and one Br(8) atom. The As(2)-Br(4) bond length is 2.05 Å. The As(2)-Br(8) bond length is 0.59 Å. In the second As site, As(3) is bonded in a single-bond geometry to one Br(1) and one Br(2) atom. The As(3)-Br(1) bond length is 1.79 Å. The As(3)-Br(2) bond length is 0.56 Å. In the third As site, As(4) is bonded in a single-bond geometry to one Br(3) and one Br(5) atom. The As(4)-Br(3) bond length is 2.05 Å. The As(4)-Br(5) bond length is 0.59 Å. There are seven inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one As(3) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one As(3) and one Br(6) atom. The Br(2)-Br(6) bond length is 2.04 Å. In the third Br site, Br(3) is bonded in a 1-coordinate geometry to one As(4) and one Br(6) atom. The Br(3)-Br(6) bond length is 2.00 Å. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one As(2) atom. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one As(4) atom. In the sixth Br site, Br(6) is bonded in a 3-coordinate geometry to one Br(2), one Br(3), and one Br(8) atom. The Br(6)-Br(8) bond length is 2.18 Å. In the seventh Br site, Br(8) is bonded in a single-bond geometry to one As(2) and one Br(6) atom.