data_ReIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   20.58
_cell_angle_beta   20.58
_cell_angle_gamma   20.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrPb2
_chemical_formula_sum   'Re1 Ir1 Pb2'
_cell_volume   78.81
_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
  Re  Re3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.21  1.0
  Pb  Pb1  1  0.0  0.0  0.57  1.0
  Pb  Pb2  1  0.0  0.0  0.85  1.0

data_ReIrPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   3.21
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   101.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReIrPb2
_chemical_formula_sum   'Re2 Ir2 Pb4'
_cell_volume   157.62
_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
  Re  Re0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.79  1.0
  Pb  Pb2  2  0.0  0.0  0.15  1.0
  Pb  Pb3  2  0.0  0.0  0.43  1.0

Re Ir Pb Pb
Re Ir Pb Pb 0 3 o o - 0 1 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
ReIrPb2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a linear geometry to one Ir(1) and one Pb(2) atom. The Re(1)-Ir(1) bond length is 1.89 Å. The Re(1)-Pb(2) bond length is 1.39 Å. Ir(1) is bonded in a single-bond geometry to one Re(1) and one Pb(1) atom. The Ir(1)-Pb(1) bond length is 3.27 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one Ir(1), one Pb(2), and six equivalent Pb(1) atoms. The Pb(1)-Pb(2) bond length is 2.45 Å. All Pb(1)-Pb(1) bond lengths are 3.21 Å. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Re(1) and one Pb(1) atom.