data_TlVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.97
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPb2
_chemical_formula_sum   'Tl1 V1 Pb2'
_cell_volume   98.95
_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  0.27  0.48  0.83  1.0
  V  V3  1  0.33  0.0  0.37  1.0
  Pb  Pb0  1  0.54  0.48  0.44  1.0
  Pb  Pb1  1  0.99  0.0  0.73  1.0

data_TlVPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.97
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPb2
_chemical_formula_sum   'Tl1 V1 Pb2'
_cell_volume   98.95
_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  Tl0  1  0.27  0.48  0.83  1.0
  V  V1  1  0.33  0.0  0.37  1.0
  Pb  Pb2  1  0.54  0.48  0.44  1.0
  Pb  Pb3  1  0.99  0.0  0.73  1.0

Tl V Pb Pb
Tl V Pb Pb 0 3 - o o 0 3 - + o 0 2 - o o 0 2 o o o 1 3 - o o 1 3 o o o 1 2 o - o 1 2 o o o 2 3 o o o 
VTlPb2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 4-coordinate geometry to two equivalent Pb(1) and two equivalent Pb(2) atoms. There is one shorter (2.52 Å) and one longer (2.67 Å) V(1)-Pb(1) bond length. There is one shorter (2.69 Å) and one longer (2.71 Å) V(1)-Pb(2) bond length. Tl(1) is bonded in a 5-coordinate geometry to two equivalent Pb(2) and three equivalent Pb(1) atoms. There is one shorter (2.60 Å) and one longer (2.74 Å) Tl(1)-Pb(2) bond length. There are a spread of Tl(1)-Pb(1) bond distances ranging from 2.73-3.52 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to two equivalent V(1) and three equivalent Tl(1) atoms. In the second Pb site, Pb(2) is bonded to two equivalent V(1) and two equivalent Tl(1) atoms to form distorted corner-sharing PbTl2V2 trigonal pyramids.