data_NiIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiIr2Pb
_chemical_formula_sum   'Ni1 Ir2 Pb1'
_cell_volume   64.22
_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  Ni2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.11  0.0  0.62  1.0
  Ir  Ir1  1  0.11  0.0  0.42  1.0
  Pb  Pb3  1  0.0  0.0  0.52  1.0

data_NiIr2Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiIr2Pb
_chemical_formula_sum   'Ni1 Ir2 Pb1'
_cell_volume   64.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.11  0.0  0.42  1.0
  Ir  Ir2  1  0.11  0.0  0.62  1.0
  Pb  Pb3  1  0.0  0.0  0.52  1.0

Ni Ir Ir Pb
Ir2NiPb crystallizes in the monoclinic Pm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Ni(1) and one Pb(1) atom. The Ir(1)-Ni(1) bond length is 2.70 Å. The Ir(1)-Pb(1) bond length is 0.77 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ni(1) and one Pb(1) atom. The Ir(2)-Ni(1) bond length is 3.01 Å. The Ir(2)-Pb(1) bond length is 0.77 Å. Ni(1) is bonded to one Ir(1), one Ir(2), and four equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NiNi4Ir2 octahedra. The corner-sharing octahedra are not tilted. All Ni(1)-Ni(1) bond lengths are 3.02 Å. Pb(1) is bonded in a bent 120 degrees geometry to one Ir(1) and one Ir(2) atom.