data_IrPdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPdPb
_chemical_formula_sum   'Ir1 Pd1 Pb1'
_cell_volume   62.08
_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  0.14  0.14  0.14  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.57  0.57  0.57  1.0

data_IrPdPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   IrPdPb
_chemical_formula_sum   'Ir3 Pd3 Pb3'
_cell_volume   186.24
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Pd  Pd0  3  0.0  0.0  0.0  1.0
  Ir  Ir1  3  0.0  0.0  0.86  1.0
  Pb  Pb2  3  0.0  0.0  0.43  1.0

Ir Pd Pb
IrPdPb crystallizes in the trigonal R3m space group. Ir(1) is bonded to one Pd(1) and three equivalent Pb(1) atoms to form distorted IrPdPb3 tetrahedra that share corners with three equivalent Pd(1)IrPb3 tetrahedra, corners with six equivalent Ir(1)PdPb3 tetrahedra, and edges with three equivalent Pd(1)IrPb3 tetrahedra. The Ir(1)-Pd(1) bond length is 1.55 Å. All Ir(1)-Pb(1) bond lengths are 2.77 Å. Pd(1) is bonded to one Ir(1) and three equivalent Pb(1) atoms to form distorted PdIrPb3 tetrahedra that share corners with three equivalent Ir(1)PdPb3 tetrahedra, corners with six equivalent Pd(1)IrPb3 tetrahedra, and edges with three equivalent Ir(1)PdPb3 tetrahedra. All Pd(1)-Pb(1) bond lengths are 2.77 Å. Pb(1) is bonded in a 6-coordinate geometry to three equivalent Ir(1) and three equivalent Pd(1) atoms.