data_TlInPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInPb2
_chemical_formula_sum   'Tl1 In1 Pb2'
_cell_volume   120.39
_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  Tl3  1  0.47  0.47  0.0  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.47  0.48  1.0
  Pb  Pb2  1  0.47  0.0  0.48  1.0

data_TlInPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlInPb2
_chemical_formula_sum   'Tl2 In2 Pb4'
_cell_volume   240.77
_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  2  0.47  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  4  0.23  0.23  0.48  1.0

Tl In Pb Pb
Tl In Pb Pb 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 3 o o - 0 3 o o o 0 3 o + - 0 3 o + o 1 3 - o - 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o - - 1 2 o - o 1 2 o o - 1 2 o o o 2 3 - o o 2 3 - + o 2 3 o o o 2 3 o + o 
TlInPb2 crystallizes in the monoclinic Cm space group. Tl(1) is bonded in a 9-coordinate geometry to three equivalent In(1) and six equivalent Pb(1) atoms. There is one shorter (3.24 Å) and two longer (3.49 Å) Tl(1)-In(1) bond lengths. There are a spread of Tl(1)-Pb(1) bond distances ranging from 3.29-3.54 Å. In(1) is bonded in a 9-coordinate geometry to three equivalent Tl(1) and six equivalent Pb(1) atoms. There are a spread of In(1)-Pb(1) bond distances ranging from 3.29-3.54 Å. Pb(1) is bonded in a 6-coordinate geometry to three equivalent Tl(1) and three equivalent In(1) atoms.