data_Sn2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2IrPb
_chemical_formula_sum   'Sn2 Ir1 Pb1'
_cell_volume   94.95
_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  0.0  0.0  0.25  1.0
  Sn  Sn3  1  0.69  0.69  0.49  1.0
  Ir  Ir0  1  0.0  0.0  0.86  1.0
  Pb  Pb1  1  0.69  0.69  0.8  1.0

data_Sn2IrPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2IrPb
_chemical_formula_sum   'Sn4 Ir2 Pb2'
_cell_volume   189.91
_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
  Sn  Sn0  2  0.0  0.0  0.25  1.0
  Sn  Sn1  2  0.19  0.5  0.49  1.0
  Ir  Ir2  2  0.0  0.0  0.86  1.0
  Pb  Pb3  2  0.19  0.5  0.8  1.0

Sn Sn Ir Pb
Sn Sn Ir Pb 0 1 - - o 0 1 - o o 0 1 o - o 0 0 + o o 0 0 o + o 0 2 o o - 1 3 o o o 2 3 - - o 
IrPbSn2 crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a distorted single-bond geometry to three equivalent Pb(1) and one Sn(1) atom. There is one shorter (1.53 Å) and two longer (2.61 Å) Ir(1)-Pb(1) bond lengths. The Ir(1)-Sn(1) bond length is 3.28 Å. Pb(1) is bonded in a 4-coordinate geometry to three equivalent Ir(1) and one Sn(2) atom. The Pb(1)-Sn(2) bond length is 2.56 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted bent 150 degrees geometry to one Ir(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.48 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Pb(1) and one Sn(1) atom.