data_BiIr2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Br
_chemical_formula_sum   'Bi1 Ir2 Br1'
_cell_volume   76.35
_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
  Bi  Bi0  1  0.25  0.25  0.0  1.0
  Ir  Ir2  1  0.0  0.25  0.88  1.0
  Ir  Ir3  1  0.25  0.0  0.88  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_BiIr2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiIr2Br
_chemical_formula_sum   'Bi2 Ir4 Br2'
_cell_volume   152.7
_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
  Bi  Bi0  2  0.25  0.0  0.0  1.0
  Ir  Ir1  4  0.13  0.13  0.88  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Bi Ir Ir Br
Ir2BiBr is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ir2BiBr clusters. Ir(1) is bonded in a distorted L-shaped geometry to one Bi(1) and one Br(1) atom. The Ir(1)-Bi(1) bond length is 1.21 Å. The Ir(1)-Br(1) bond length is 1.21 Å. Bi(1) is bonded in a distorted L-shaped geometry to two equivalent Ir(1) atoms. Br(1) is bonded in a distorted L-shaped geometry to two equivalent Ir(1) atoms.