data_YSiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   4.66
_cell_angle_alpha   111.15
_cell_angle_beta   111.15
_cell_angle_gamma   38.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiPb2
_chemical_formula_sum   'Y1 Si1 Pb2'
_cell_volume   105.24
_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  0.15  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.18  0.0  0.99  1.0
  Pb  Pb1  1  0.82  0.0  0.32  1.0

data_YSiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.66
_cell_length_c   6.25
_cell_angle_alpha   111.15
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiPb2
_chemical_formula_sum   'Y1 Si1 Pb2'
_cell_volume   105.24
_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  Y0  1  0.0  0.15  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.32  0.82  1.0
  Pb  Pb3  1  0.0  0.99  0.18  1.0

Y Si Pb Pb
Y Si Pb Pb 0 1 o o o 0 3 - o o 1 2 o o - 
YPb2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YPb2Si cluster. Y(1) is bonded in a 2-coordinate geometry to one Pb(2) and one Si(1) atom. The Y(1)-Pb(2) bond length is 1.58 Å. The Y(1)-Si(1) bond length is 0.71 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one Si(1) atom. The Pb(1)-Si(1) bond length is 1.16 Å. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Y(1) atom. Si(1) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one Pb(1) atom.