data_NbSi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Pb
_chemical_formula_sum   'Nb1 Si2 Pb1'
_cell_volume   74.22
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.32  0.0  0.72  1.0
  Si  Si3  1  0.0  0.32  0.72  1.0
  Pb  Pb1  1  0.32  0.32  0.0  1.0

data_NbSi2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSi2Pb
_chemical_formula_sum   'Nb2 Si4 Pb2'
_cell_volume   148.43
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Si  Si1  4  0.16  0.16  0.72  1.0
  Pb  Pb2  2  0.32  0.0  -0.0  1.0

Nb Si Si Pb
NbPbSi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbPbSi2 clusters. Nb(1) is bonded in a 3-coordinate geometry to one Pb(1) and two equivalent Si(1) atoms. The Nb(1)-Pb(1) bond length is 2.13 Å. Both Nb(1)-Si(1) bond lengths are 1.79 Å. Pb(1) is bonded in a 2-coordinate geometry to one Nb(1) and two equivalent Si(1) atoms. Both Pb(1)-Si(1) bond lengths are 1.79 Å. Si(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Pb(1) atom.