data_Sn2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.48
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2IrPd
_chemical_formula_sum   'Sn2 Ir1 Pd1'
_cell_volume   73.76
_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
  Sn  Sn2  1  0.57  0.74  0.74  1.0
  Sn  Sn3  1  0.57  0.74  0.02  1.0
  Ir  Ir0  1  0.0  0.0  0.38  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Sn2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.48
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2IrPd
_chemical_formula_sum   'Sn2 Ir1 Pd1'
_cell_volume   73.76
_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
  Sn  Sn0  1  0.57  0.74  0.02  1.0
  Sn  Sn1  1  0.57  0.74  0.74  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.38  1.0

Sn Sn Ir Pd
Sn Sn Ir Pd 0 1 o o + 0 2 + + o 0 2 o + o 1 3 o + o 1 3 + + o 1 2 + + o 1 2 o + o 2 2 + o o 2 3 o o o 
IrPdSn2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 9-coordinate geometry to four equivalent Ir(1), one Pd(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. There are two shorter (3.14 Å) and two longer (3.48 Å) Ir(1)-Ir(1) bond lengths. The Ir(1)-Pd(1) bond length is 2.57 Å. There is one shorter (2.92 Å) and one longer (3.14 Å) Ir(1)-Sn(1) bond length. There is one shorter (2.92 Å) and one longer (3.14 Å) Ir(1)-Sn(2) bond length. Pd(1) is bonded in a distorted bent 120 degrees geometry to one Ir(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. There is one shorter (2.40 Å) and one longer (2.66 Å) Pd(1)-Sn(1) bond length. There is one shorter (1.64 Å) and one longer (2.00 Å) Pd(1)-Sn(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1), two equivalent Pd(1), and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 1.91 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to two equivalent Ir(1), two equivalent Pd(1), and one Sn(1) atom.