data_Ba2ZrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   5.22
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrPb
_chemical_formula_sum   'Ba2 Zr1 Pb1'
_cell_volume   148.77
_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  0.61  0.97  1.0
  Ba  Ba1  1  0.88  0.61  0.62  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.79  1.0

data_Ba2ZrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.22
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrPb
_chemical_formula_sum   'Ba2 Zr1 Pb1'
_cell_volume   148.77
_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  0.61  0.62  1.0
  Ba  Ba1  1  0.88  0.61  0.97  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.79  1.0

Ba Ba Zr Pb
Ba2ZrPb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2ZrPb cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Pb(1) atom. The Ba(1)-Zr(1) bond length is 2.11 Å. The Ba(1)-Pb(1) bond length is 2.48 Å. In the second Ba site, Ba(2) is bonded in a 1-coordinate geometry to one Pb(1) atom. The Ba(2)-Pb(1) bond length is 2.48 Å. Zr(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Pb(1) atom. The Zr(1)-Pb(1) bond length is 1.58 Å. Pb(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Zr(1) atom.