data_Tl2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   132.15
_cell_angle_beta   132.15
_cell_angle_gamma   69.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbIr
_chemical_formula_sum   'Tl2 Sb1 Ir1'
_cell_volume   92.39
_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
  Tl  Tl2  1  0.25  0.0  0.28  1.0
  Tl  Tl3  1  0.0  0.25  0.28  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.55  1.0

data_Tl2SbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   124.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2SbIr
_chemical_formula_sum   'Tl4 Sb2 Ir2'
_cell_volume   184.78
_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
  Tl  Tl0  4  0.37  0.37  0.02  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.55  1.0

Tl Tl Sb Ir
Tl Tl Sb Ir 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 2 3 o o - 
IrTl2Sb crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 5-coordinate geometry to four equivalent Tl(1) and one Sb(1) atom. There are two shorter (2.68 Å) and two longer (3.32 Å) Ir(1)-Tl(1) bond lengths. The Ir(1)-Sb(1) bond length is 2.49 Å. Tl(1) is bonded in a single-bond geometry to two equivalent Ir(1) and one Sb(1) atom. The Tl(1)-Sb(1) bond length is 1.20 Å. Sb(1) is bonded in a distorted L-shaped geometry to one Ir(1) and two equivalent Tl(1) atoms.