data_BaReIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReIr2
_chemical_formula_sum   'Ba1 Re1 Ir2'
_cell_volume   82.57
_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
  Ba  Ba0  1  0.0  0.0  0.98  1.0
  Re  Re3  1  0.62  0.62  0.26  1.0
  Ir  Ir1  1  0.62  0.62  0.5  1.0
  Ir  Ir2  1  0.0  0.0  0.09  1.0

data_BaReIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaReIr2
_chemical_formula_sum   'Ba2 Re2 Ir4'
_cell_volume   165.13
_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
  Ba  Ba0  2  0.0  0.0  0.98  1.0
  Re  Re1  2  0.12  0.5  0.26  1.0
  Ir  Ir2  2  0.0  0.0  0.09  1.0
  Ir  Ir3  2  0.12  0.5  0.5  1.0

Ba Re Ir Ir
BaReIr2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaReIr2 clusters. Ba(1) is bonded in a single-bond geometry to one Ir(2) atom. The Ba(1)-Ir(2) bond length is 0.94 Å. Re(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Ir(2) atom. The Re(1)-Ir(1) bond length is 1.93 Å. The Re(1)-Ir(2) bond length is 2.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Re(1) atom. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ba(1) and one Re(1) atom.