data_Tl2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   109.15
_cell_angle_beta   109.15
_cell_angle_gamma   110.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BIr
_chemical_formula_sum   'Tl2 B1 Ir1'
_cell_volume   74.95
_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
  Tl  Tl2  1  0.0  0.67  0.32  1.0
  Tl  Tl3  1  0.67  0.0  0.32  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.63  1.0

data_Tl2BIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   7.54
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   124.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2BIr
_chemical_formula_sum   'Tl4 B2 Ir2'
_cell_volume   149.9
_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  0.02  0.33  0.68  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.37  0.0  0.37  1.0

Tl Tl B Ir
IrTl2B crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a distorted trigonal planar geometry to two equivalent Tl(1) and one B(1) atom. Both Ir(1)-Tl(1) bond lengths are 1.74 Å. The Ir(1)-B(1) bond length is 1.68 Å. Tl(1) is bonded in a distorted single-bond geometry to one Ir(1) and two equivalent B(1) atoms. There is one shorter (2.44 Å) and one longer (2.93 Å) Tl(1)-B(1) bond length. B(1) is bonded in a 5-coordinate geometry to one Ir(1) and four equivalent Tl(1) atoms.