data_TlMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Pb
_chemical_formula_sum   'Tl1 Mo2 Pb1'
_cell_volume   80.14
_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  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.71  0.0  0.33  1.0
  Mo  Mo1  1  0.71  0.0  0.96  1.0
  Pb  Pb2  1  0.0  0.0  0.65  1.0

data_TlMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Pb
_chemical_formula_sum   'Tl1 Mo2 Pb1'
_cell_volume   80.14
_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  Tl0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.71  0.0  0.33  1.0
  Mo  Mo2  1  0.71  0.0  0.96  1.0
  Pb  Pb3  1  0.0  0.0  0.65  1.0

Tl Mo Mo Pb
Tl Mo Mo Pb 0 2 - o - 0 1 - o o 0 3 o o - 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o o 1 3 + o o 1 2 o o - 2 3 + o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 
Mo2TlPb crystallizes in the triclinic P1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Tl(1) and two equivalent Pb(1) atoms. The Mo(1)-Tl(1) bond length is 3.19 Å. There is one shorter (3.07 Å) and one longer (3.64 Å) Mo(1)-Pb(1) bond length. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Tl(1) and two equivalent Pb(1) atoms. The Mo(2)-Tl(1) bond length is 0.97 Å. There is one shorter (3.07 Å) and one longer (3.64 Å) Mo(2)-Pb(1) bond length. Tl(1) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one Pb(1) atom. The Tl(1)-Pb(1) bond length is 3.29 Å. Pb(1) is bonded in a 11-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), one Tl(1), and six equivalent Pb(1) atoms. There are four shorter (3.05 Å) and two longer (3.41 Å) Pb(1)-Pb(1) bond lengths.