data_TlVSnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVSnPb
_chemical_formula_sum   'Tl1 V1 Sn1 Pb1'
_cell_volume   100.93
_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  0.54  0.54  0.54  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.7  0.7  0.7  1.0
  Pb  Pb0  1  0.85  0.85  0.85  1.0

data_TlVSnPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlVSnPb
_chemical_formula_sum   'Tl3 V3 Sn3 Pb3'
_cell_volume   302.78
_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  0.46  1.0
  V  V1  3  0.0  0.0  -0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.3  1.0
  Pb  Pb3  3  0.0  0.0  0.15  1.0

Tl V Sn Pb
Tl V Sn Pb 0 2 o o o 1 3 - - - 2 3 o o o 
VTlPbSn crystallizes in the trigonal R3m space group. V(1) is bonded in a distorted single-bond geometry to one Pb(1) atom. The V(1)-Pb(1) bond length is 1.95 Å. Tl(1) is bonded to three equivalent Pb(1) and one Sn(1) atom to form distorted corner-sharing TlSnPb3 trigonal pyramids. All Tl(1)-Pb(1) bond lengths are 3.04 Å. The Tl(1)-Sn(1) bond length is 1.95 Å. Pb(1) is bonded in a distorted linear geometry to one V(1), three equivalent Tl(1), and one Sn(1) atom. The Pb(1)-Sn(1) bond length is 1.95 Å. Sn(1) is bonded in a distorted linear geometry to one Tl(1) and one Pb(1) atom.