data_BIrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIrBr2
_chemical_formula_sum   'B1 Ir1 Br2'
_cell_volume   100.27
_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
  B  B0  1  0.0  0.0  0.44  1.0
  Ir  Ir3  1  0.78  0.0  0.26  1.0
  Br  Br1  1  0.78  0.0  0.76  1.0
  Br  Br2  1  0.0  0.0  0.19  1.0

data_BIrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.04
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIrBr2
_chemical_formula_sum   'B1 Ir1 Br2'
_cell_volume   100.27
_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
  B  B0  1  0.0  0.0  0.44  1.0
  Ir  Ir1  1  0.0  0.78  0.26  1.0
  Br  Br2  1  0.0  0.0  0.19  1.0
  Br  Br3  1  0.0  0.78  0.76  1.0

B Ir Br Br
IrBBr2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one IrBBr2 cluster. Ir(1) is bonded in a distorted single-bond geometry to one B(1) and one Br(2) atom. The Ir(1)-B(1) bond length is 1.64 Å. The Ir(1)-Br(2) bond length is 1.07 Å. B(1) is bonded in a 3-coordinate geometry to one Ir(1), one Br(1), and one Br(2) atom. The B(1)-Br(1) bond length is 2.62 Å. The B(1)-Br(2) bond length is 1.98 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one B(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ir(1) and one B(1) atom.