data_YTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   135.89
_cell_angle_beta   135.89
_cell_angle_gamma   64.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y1 Tl2 Pb1'
_cell_volume   112.31
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.32  0.61  1.0
  Tl  Tl2  1  0.32  0.0  0.61  1.0
  Pb  Pb0  1  0.0  0.0  0.23  1.0

data_YTl2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   122.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTl2Pb
_chemical_formula_sum   'Y2 Tl4 Pb2'
_cell_volume   224.62
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.04  0.34  0.7  1.0
  Pb  Pb2  2  0.27  0.5  0.77  1.0

Y Tl Tl Pb
Y Tl Tl Pb 0 3 o o o 1 3 o o o 2 3 o o o 
YTl2Pb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YTl2Pb clusters. Y(1) is bonded in a single-bond geometry to one Pb(1) atom. The Y(1)-Pb(1) bond length is 1.42 Å. Tl(1) is bonded in a single-bond geometry to one Pb(1) atom. The Tl(1)-Pb(1) bond length is 1.67 Å. Pb(1) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Tl(1) atoms.