data_BaPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   136.85
_cell_angle_beta   136.85
_cell_angle_gamma   62.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPd2Pb
_chemical_formula_sum   'Ba1 Pd2 Pb1'
_cell_volume   99.51
_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
  Ba  Ba0  1  0.0  0.0  0.12  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.2  0.0  0.56  1.0
  Pb  Pb1  1  0.0  0.2  0.56  1.0

data_BaPd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.99
_cell_angle_alpha   111.58
_cell_angle_beta   111.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPd2Pb
_chemical_formula_sum   'Ba1 Pd2 Pb1'
_cell_volume   99.51
_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
  Ba  Ba0  1  0.88  0.0  0.88  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.44  0.0  0.64  1.0
  Pb  Pb3  1  0.64  0.2  0.64  1.0

Ba Pd Pd Pb
Ba Pd Pd Pb 0 1 o o o 2 3 o o o 
BaPd2Pb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaPd2Pb cluster. Ba(1) is bonded in a distorted single-bond geometry to one Pd(1), one Pd(2), and one Pb(1) atom. The Ba(1)-Pd(1) bond length is 0.72 Å. The Ba(1)-Pd(2) bond length is 1.93 Å. The Ba(1)-Pb(1) bond length is 1.93 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Ba(1) and one Pb(1) atom. The Pd(2)-Pb(1) bond length is 1.27 Å. Pb(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Pd(2) atom.