data_Tl2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   132.23
_cell_angle_beta   132.23
_cell_angle_gamma   69.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiIr
_chemical_formula_sum   'Tl2 Bi1 Ir1'
_cell_volume   96.16
_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  0.28  0.0  0.31  1.0
  Tl  Tl3  1  0.0  0.28  0.31  1.0
  Bi  Bi0  1  0.0  0.0  0.62  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0

data_Tl2BiIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   124.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2BiIr
_chemical_formula_sum   'Tl4 Bi2 Ir2'
_cell_volume   192.31
_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  0.36  0.36  0.03  1.0
  Bi  Bi1  2  0.0  0.0  0.62  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0

Tl Tl Bi Ir
IrTl2Bi crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 2-coordinate geometry to two equivalent Tl(1) and one Bi(1) atom. Both Ir(1)-Tl(1) bond lengths are 1.36 Å. The Ir(1)-Bi(1) bond length is 2.15 Å. Tl(1) is bonded in a single-bond geometry to one Ir(1) and two equivalent Bi(1) atoms. There is one shorter (3.04 Å) and one longer (3.15 Å) Tl(1)-Bi(1) bond length. Bi(1) is bonded in a distorted single-bond geometry to one Ir(1) and four equivalent Tl(1) atoms.