data_Sb2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   152.91
_cell_angle_beta   144.56
_cell_angle_gamma   45.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2IrPd
_chemical_formula_sum   'Sb2 Ir1 Pd1'
_cell_volume   82.22
_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
  Sb  Sb2  1  0.59  0.0  0.49  1.0
  Sb  Sb3  1  0.0  0.0  0.73  1.0
  Ir  Ir0  1  0.59  0.0  0.96  1.0
  Pd  Pd1  1  0.0  0.0  0.61  1.0

data_Sb2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.13
_cell_length_c   6.78
_cell_angle_alpha   107.72
_cell_angle_beta   103.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2IrPd
_chemical_formula_sum   'Sb2 Ir1 Pd1'
_cell_volume   82.22
_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
  Sb  Sb0  1  0.0  0.49  0.9  1.0
  Sb  Sb1  1  0.0  0.73  0.73  1.0
  Pd  Pd2  1  0.0  0.61  0.61  1.0
  Ir  Ir3  1  0.0  0.96  0.38  1.0

Sb Sb Ir Pd
Sb Sb Ir Pd 0 1 + o o 1 3 o o o 1 2 o o o 2 2 o + + 2 3 o o o 2 3 + o + 
IrPdSb2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1), two equivalent Pd(1), and one Sb(1) atom. Both Ir(1)-Ir(1) bond lengths are 3.18 Å. There is one shorter (2.47 Å) and one longer (2.66 Å) Ir(1)-Pd(1) bond length. The Ir(1)-Sb(1) bond length is 3.23 Å. Pd(1) is bonded in a single-bond geometry to two equivalent Ir(1) and one Sb(2) atom. The Pd(1)-Sb(2) bond length is 0.83 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 1-coordinate geometry to one Ir(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.73 Å. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Pd(1) and one Sb(1) atom.