data_IrPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   149.82
_cell_angle_beta   138.12
_cell_angle_gamma   52.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPdCl2
_chemical_formula_sum   'Ir1 Pd1 Cl2'
_cell_volume   87.61
_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  Ir2  1  0.0  0.0  0.74  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.29  0.66  1.0
  Cl  Cl1  1  0.67  0.0  0.09  1.0

data_IrPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.58
_cell_length_c   6.4
_cell_angle_alpha   110.94
_cell_angle_beta   105.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPdCl2
_chemical_formula_sum   'Ir1 Pd1 Cl2'
_cell_volume   87.61
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.26  0.26  0.26  1.0
  Cl  Cl2  1  0.34  0.63  0.63  1.0
  Cl  Cl3  1  0.58  0.91  0.58  1.0

Ir Pd Cl Cl
Ir Pd Cl Cl 0 1 o o + 2 3 - o o 
IrPdCl2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 1-coordinate geometry to one Pd(1), one Cl(1), and one Cl(2) atom. The Ir(1)-Pd(1) bond length is 1.65 Å. The Ir(1)-Cl(1) bond length is 2.34 Å. The Ir(1)-Cl(2) bond length is 3.01 Å. Pd(1) is bonded in a 4-coordinate geometry to one Ir(1), one Cl(2), and two equivalent Cl(1) atoms. The Pd(1)-Cl(2) bond length is 2.57 Å. There is one shorter (2.77 Å) and one longer (2.88 Å) Pd(1)-Cl(1) bond length. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Ir(1), two equivalent Pd(1), and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 1.68 Å. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Ir(1), one Pd(1), and one Cl(1) atom.