data_CuIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIr2Pb
_chemical_formula_sum   'Cu1 Ir2 Pb1'
_cell_volume   64.85
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.62  0.62  0.38  1.0
  Ir  Ir2  1  0.62  0.62  0.79  1.0
  Pb  Pb3  1  0.0  0.0  0.08  1.0

data_CuIr2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuIr2Pb
_chemical_formula_sum   'Cu2 Ir4 Pb2'
_cell_volume   129.7
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.12  0.5  0.38  1.0
  Ir  Ir2  2  0.12  0.5  0.79  1.0
  Pb  Pb3  2  0.0  0.0  0.08  1.0

Cu Ir Ir Pb
Cu Ir Ir Pb 0 3 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 2 o - - 0 2 - o - 0 2 - - - 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 + + + 
Ir2CuPb crystallizes in the monoclinic Cm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Ir(2), four equivalent Ir(1), and four equivalent Pb(1) atoms. The Ir(1)-Ir(2) bond length is 2.58 Å. All Ir(1)-Ir(1) bond lengths are 3.24 Å. There are a spread of Ir(1)-Pb(1) bond distances ranging from 2.50-3.37 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Ir(1) and one Cu(1) atom. The Ir(2)-Cu(1) bond length is 2.16 Å. Cu(1) is bonded in a single-bond geometry to one Ir(2) and one Pb(1) atom. The Cu(1)-Pb(1) bond length is 0.52 Å. Pb(1) is bonded in a single-bond geometry to four equivalent Ir(1) and one Cu(1) atom.