data_ScPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPd2Pb
_chemical_formula_sum   'Sc1 Pd2 Pb1'
_cell_volume   78.23
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.71  0.71  0.25  1.0
  Pd  Pd2  1  0.71  0.71  0.45  1.0
  Pb  Pb0  1  0.0  0.0  0.35  1.0

data_ScPd2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScPd2Pb
_chemical_formula_sum   'Sc2 Pd4 Pb2'
_cell_volume   156.45
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.21  0.5  0.25  1.0
  Pd  Pd2  2  0.21  0.5  0.45  1.0
  Pb  Pb3  2  0.0  0.0  0.35  1.0

Sc Pd Pd Pb
ScPd2Pb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScPd2Pb clusters. Sc(1) is bonded in a 2-coordinate geometry to one Pd(1) and one Pb(1) atom. The Sc(1)-Pd(1) bond length is 2.21 Å. The Sc(1)-Pb(1) bond length is 2.36 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to one Sc(1), one Pd(2), and one Pb(1) atom. The Pd(1)-Pd(2) bond length is 1.30 Å. The Pd(1)-Pb(1) bond length is 1.55 Å. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Pd(1) and one Pb(1) atom. The Pd(2)-Pb(1) bond length is 1.55 Å. Pb(1) is bonded in a 3-coordinate geometry to one Sc(1), one Pd(1), and one Pd(2) atom.