data_IrPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPd2Cl
_chemical_formula_sum   'Ir1 Pd2 Cl1'
_cell_volume   63.2
_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  0.0  0.0  0.43  1.0
  Pd  Pd2  1  0.42  0.0  0.67  1.0
  Pd  Pd3  1  0.42  0.0  0.18  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_IrPd2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.88
_cell_length_b   4.95
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   IrPd2Cl
_chemical_formula_sum   'Ir2 Pd4 Cl2'
_cell_volume   126.42
_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
  Ir  Ir0  2  0.0  0.0  0.57  1.0
  Pd  Pd1  2  0.08  0.5  0.33  1.0
  Pd  Pd2  2  0.08  0.5  0.82  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Ir Pd Pd Cl
Ir Pd Pd Cl 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o o 0 2 o o o 0 1 - o o 0 1 o o o 0 1 o + o 0 1 - - o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o + 2 3 o o o 2 3 + o o 
IrPd2Cl crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 10-coordinate geometry to six equivalent Ir(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. There are two shorter (2.85 Å) and four longer (2.88 Å) Ir(1)-Ir(1) bond lengths. There is one shorter (2.52 Å) and one longer (2.75 Å) Ir(1)-Pd(1) bond length. There is one shorter (2.52 Å) and one longer (2.75 Å) Ir(1)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Ir(1), six equivalent Pd(1), and one Cl(1) atom. There are two shorter (2.85 Å) and four longer (2.88 Å) Pd(1)-Pd(1) bond lengths. The Pd(1)-Cl(1) bond length is 3.14 Å. In the second Pd site, Pd(2) is bonded in a distorted L-shaped geometry to two equivalent Ir(1) and two equivalent Cl(1) atoms. There is one shorter (1.99 Å) and one longer (2.28 Å) Pd(2)-Cl(1) bond length. Cl(1) is bonded in a distorted L-shaped geometry to one Pd(1) and two equivalent Pd(2) atoms.