data_IrPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   131.16
_cell_angle_beta   131.16
_cell_angle_gamma   71.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPd3
_chemical_formula_sum   'Ir1 Pd3'
_cell_volume   60.13
_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
  Ir  Ir0  1  0.0  0.0  0.87  1.0
  Pd  Pd1  1  0.97  0.0  0.93  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.97  0.93  1.0

data_IrPd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   125.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   IrPd3
_chemical_formula_sum   'Ir2 Pd6'
_cell_volume   120.27
_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
  Pd  Pd0  4  0.05  0.01  0.04  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.13  0.0  0.13  1.0

Ir Pd Pd Pd
Pd3Ir is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Pd3Ir clusters. Ir(1) is bonded in a 2-coordinate geometry to two equivalent Pd(1) atoms. Both Ir(1)-Pd(1) bond lengths are 0.42 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Ir(1), one Pd(1), and one Pd(2) atom. The Pd(1)-Pd(1) bond length is 0.16 Å. The Pd(1)-Pd(2) bond length is 0.25 Å. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to two equivalent Pd(1) atoms.