data_IrPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.47
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPb3
_chemical_formula_sum   'Ir1 Pb3'
_cell_volume   102.74
_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  Ir0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.56  0.73  0.15  1.0
  Pb  Pb2  1  0.95  0.0  0.43  1.0
  Pb  Pb3  1  0.68  0.73  0.72  1.0

data_IrPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.47
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPb3
_chemical_formula_sum   'Ir1 Pb3'
_cell_volume   102.74
_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  Ir0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.56  0.73  0.15  1.0
  Pb  Pb2  1  0.68  0.73  0.72  1.0
  Pb  Pb3  1  0.95  0.0  0.43  1.0

Ir Pb Pb Pb
IrPb3 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 3-coordinate geometry to one Pb(3) and two equivalent Pb(1) atoms. The Ir(1)-Pb(3) bond length is 2.87 Å. There is one shorter (2.19 Å) and one longer (2.47 Å) Ir(1)-Pb(1) bond length. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted L-shaped geometry to two equivalent Ir(1) and two equivalent Pb(2) atoms. There is one shorter (2.96 Å) and one longer (3.39 Å) Pb(1)-Pb(2) bond length. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one Pb(3), two equivalent Pb(1), and four equivalent Pb(2) atoms. The Pb(2)-Pb(3) bond length is 2.84 Å. There are two shorter (3.34 Å) and two longer (3.47 Å) Pb(2)-Pb(2) bond lengths. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to one Ir(1) and one Pb(2) atom.