data_CdSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2Ir
_chemical_formula_sum   'Cd1 Sn2 Ir1'
_cell_volume   91.99
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.67  0.67  0.78  1.0
  Sn  Sn3  1  0.67  0.67  0.51  1.0
  Ir  Ir1  1  0.0  0.0  0.15  1.0

data_CdSn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSn2Ir
_chemical_formula_sum   'Cd2 Sn4 Ir2'
_cell_volume   183.99
_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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.17  0.5  0.51  1.0
  Sn  Sn2  2  0.17  0.5  0.78  1.0
  Ir  Ir3  2  0.0  0.0  0.15  1.0

Cd Sn Sn Ir
IrCdSn2 crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a single-bond geometry to one Cd(1) and one Sn(2) atom. The Ir(1)-Cd(1) bond length is 1.23 Å. The Ir(1)-Sn(2) bond length is 3.40 Å. Cd(1) is bonded in a distorted single-bond geometry to one Ir(1) and three equivalent Sn(1) atoms. There is one shorter (2.39 Å) and two longer (3.06 Å) Cd(1)-Sn(1) bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to three equivalent Cd(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.26 Å. In the second Sn site, Sn(2) is bonded to one Ir(1), one Sn(1), and four equivalent Sn(2) atoms to form a mixture of distorted corner and edge-sharing SnSn5Ir octahedra. The corner-sharing octahedra are not tilted. All Sn(2)-Sn(2) bond lengths are 3.33 Å.