data_Ir2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   129.34
_cell_angle_beta   129.34
_cell_angle_gamma   74.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2RhBr
_chemical_formula_sum   'Ir2 Rh1 Br1'
_cell_volume   63.06
_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
  Ir  Ir1  1  0.04  0.0  0.9  1.0
  Ir  Ir2  1  0.0  0.04  0.9  1.0
  Rh  Rh3  1  0.0  0.0  0.79  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ir2RhBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   127.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir2RhBr
_chemical_formula_sum   'Ir4 Rh2 Br2'
_cell_volume   126.12
_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
  Ir  Ir0  4  0.48  0.48  0.86  1.0
  Rh  Rh1  2  0.0  0.0  0.79  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Ir Ir Rh Br
Ir Ir Rh Br 0 1 o o o 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o + 
Ir2RhBr is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ir2RhBr clusters. Ir(1) is bonded in a distorted single-bond geometry to one Ir(1), one Rh(1), and one Br(1) atom. The Ir(1)-Ir(1) bond length is 0.22 Å. The Ir(1)-Rh(1) bond length is 0.40 Å. The Ir(1)-Br(1) bond length is 0.62 Å. Rh(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1) atoms. Br(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1) atoms.