data_IrPdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPdCl
_chemical_formula_sum   'Ir1 Pd1 Cl1'
_cell_volume   52.14
_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  Ir1  1  0.48  0.48  0.48  1.0
  Pd  Pd2  1  0.45  0.45  0.45  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_IrPdCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   10.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   IrPdCl
_chemical_formula_sum   'Ir3 Pd3 Cl3'
_cell_volume   156.41
_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
  Ir  Ir0  3  0.0  0.0  0.52  1.0
  Pd  Pd1  3  0.0  0.0  0.55  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0

Ir Pd Cl
Ir Pd Cl 0 1 o o o 0 2 + + o 0 2 + o + 0 2 + o o 0 2 o + + 0 2 o + o 0 2 o o + 1 2 + + o 1 2 + o + 1 2 + o o 1 2 o + + 1 2 o + o 1 2 o o + 
IrPdCl crystallizes in the trigonal R3m space group. Ir(1) is bonded in a single-bond geometry to one Pd(1) and three equivalent Cl(1) atoms. The Ir(1)-Pd(1) bond length is 0.36 Å. All Ir(1)-Cl(1) bond lengths are 3.07 Å. Pd(1) is bonded to one Ir(1) and three equivalent Cl(1) atoms to form distorted PdIrCl3 tetrahedra that share corners with three equivalent Cl(1)Ir3Pd3 octahedra and corners with six equivalent Pd(1)IrCl3 tetrahedra. The corner-sharing octahedral tilt angles are 52°. All Pd(1)-Cl(1) bond lengths are 2.69 Å. Cl(1) is bonded to three equivalent Ir(1) and three equivalent Pd(1) atoms to form distorted ClIr3Pd3 octahedra that share corners with three equivalent Pd(1)IrCl3 tetrahedra and edges with six equivalent Cl(1)Ir3Pd3 octahedra.