data_SnSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSb2Ir
_chemical_formula_sum   'Sn1 Sb2 Ir1'
_cell_volume   95.41
_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  Sn3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.62  0.62  0.25  1.0
  Sb  Sb2  1  0.62  0.62  0.84  1.0
  Ir  Ir0  1  0.0  0.0  0.54  1.0

data_SnSb2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnSb2Ir
_chemical_formula_sum   'Sn2 Sb4 Ir2'
_cell_volume   190.82
_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  0.0  1.0
  Sb  Sb1  2  0.12  0.5  0.25  1.0
  Sb  Sb2  2  0.12  0.5  0.84  1.0
  Ir  Ir3  2  0.0  0.0  0.54  1.0

Sn Sb Sb Ir
Sn Sb Sb Ir 0 2 - - - 0 2 - o - 0 2 o - - 0 1 - - o 0 1 o o o 0 1 o - o 0 1 - o o 1 3 o + o 1 3 + o o 1 3 + + o 1 3 o o o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
IrSnSb2 crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 6-coordinate geometry to four equivalent Ir(1), one Sb(1), and one Sb(2) atom. All Ir(1)-Ir(1) bond lengths are 3.24 Å. The Ir(1)-Sb(1) bond length is 3.19 Å. The Ir(1)-Sb(2) bond length is 3.19 Å. Sn(1) is bonded in a 1-coordinate geometry to one Sb(2) and three equivalent Sb(1) atoms. The Sn(1)-Sb(2) bond length is 2.28 Å. There is one shorter (2.85 Å) and two longer (3.27 Å) Sn(1)-Sb(1) bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Ir(1), three equivalent Sn(1), and four equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.24 Å. In the second Sb site, Sb(2) is bonded in a 1-coordinate geometry to one Ir(1) and one Sn(1) atom.