data_MoPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.63
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd2Pb
_chemical_formula_sum   'Mo1 Pd2 Pb1'
_cell_volume   70.85
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.64  0.0  0.33  1.0
  Pd  Pd3  1  0.0  0.31  0.33  1.0
  Pb  Pb1  1  0.64  0.31  0.0  1.0

data_MoPd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.63
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd2Pb
_chemical_formula_sum   'Mo1 Pd2 Pb1'
_cell_volume   70.85
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.31  0.33  1.0
  Pd  Pd2  1  0.64  0.0  0.33  1.0
  Pb  Pb3  1  0.64  0.31  0.0  1.0

Mo Pd Pd Pb
Mo Pd Pd Pb 0 3 - o o 0 1 - o o 0 2 o o o 1 3 o o o 1 2 + o o 2 3 - o o 
MoPd2Pb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MoPd2Pb cluster. Mo(1) is bonded in a 1-coordinate geometry to one Pd(1) and one Pb(1) atom. The Mo(1)-Pd(1) bond length is 1.96 Å. The Mo(1)-Pb(1) bond length is 1.87 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to one Mo(1), one Pd(2), and one Pb(1) atom. The Pd(1)-Pd(2) bond length is 1.87 Å. The Pd(1)-Pb(1) bond length is 2.13 Å. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to one Pd(1) and one Pb(1) atom. The Pd(2)-Pb(1) bond length is 1.96 Å. Pb(1) is bonded in a 2-coordinate geometry to one Mo(1), one Pd(1), and one Pd(2) atom.