data_NiIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.32
_cell_angle_alpha   94.97
_cell_angle_beta   94.97
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiIrPb2
_chemical_formula_sum   'Ni1 Ir1 Pb2'
_cell_volume   77.13
_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
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.39  0.0  0.0  1.0
  Pb  Pb2  1  0.49  0.73  0.65  1.0
  Pb  Pb3  1  0.49  0.27  0.65  1.0

data_NiIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   91.15
_cell_angle_beta   94.97
_cell_angle_gamma   94.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiIrPb2
_chemical_formula_sum   'Ni1 Ir1 Pb2'
_cell_volume   77.13
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.39  0.0  1.0
  Pb  Pb2  1  0.65  0.49  0.27  1.0
  Pb  Pb3  1  0.65  0.49  0.73  1.0

Ni Ir Pb Pb
Ni Ir Pb Pb 0 1 o o o 1 2 o - - 1 3 o o - 2 3 o o o 
IrNiPb2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 3-coordinate geometry to one Ni(1), one Pb(1), and two equivalent Pb(2) atoms. The Ir(1)-Ni(1) bond length is 1.88 Å. The Ir(1)-Pb(1) bond length is 1.79 Å. There is one shorter (1.92 Å) and one longer (2.42 Å) Ir(1)-Pb(2) bond length. Ni(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Pb(2) atom. The Ni(1)-Pb(2) bond length is 3.02 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Pb(2) atom. The Pb(1)-Pb(2) bond length is 2.22 Å. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to two equivalent Ir(1), one Ni(1), and one Pb(1) atom.