data_TlBiIrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiIrPb
_chemical_formula_sum   'Tl1 Bi1 Ir1 Pb1'
_cell_volume   98.69
_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  Tl3  1  0.83  0.83  0.83  1.0
  Bi  Bi0  1  0.67  0.67  0.67  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.5  0.5  0.5  1.0

data_TlBiIrPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlBiIrPb
_chemical_formula_sum   'Tl3 Bi3 Ir3 Pb3'
_cell_volume   296.06
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.17  1.0
  Bi  Bi1  3  0.0  0.0  0.33  1.0
  Ir  Ir2  3  0.0  0.0  -0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.5  1.0

Tl Bi Ir Pb
Tl Bi Ir Pb 0 1 o o o 0 2 + + + 1 3 o o o 
IrTlPbBi crystallizes in the trigonal R3m space group. Ir(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Ir(1)-Tl(1) bond length is 2.11 Å. Tl(1) is bonded to one Ir(1), three equivalent Pb(1), and one Bi(1) atom to form distorted TlBiIrPb3 trigonal bipyramids that share corners with six equivalent Tl(1)BiIrPb3 trigonal bipyramids and  a cornercorner with one Pb(1)Tl3Bi trigonal pyramid. All Tl(1)-Pb(1) bond lengths are 2.99 Å. The Tl(1)-Bi(1) bond length is 2.11 Å. Pb(1) is bonded to three equivalent Tl(1) and one Bi(1) atom to form PbTl3Bi trigonal pyramids that share  a cornercorner with one Tl(1)BiIrPb3 trigonal bipyramid and corners with six equivalent Pb(1)Tl3Bi trigonal pyramids. The Pb(1)-Bi(1) bond length is 2.11 Å. Bi(1) is bonded in a distorted linear geometry to one Tl(1) and one Pb(1) atom.