data_Ba2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   5.66
_cell_angle_alpha   112.77
_cell_angle_beta   112.77
_cell_angle_gamma   33.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuPb
_chemical_formula_sum   'Ba2 Cu1 Pb1'
_cell_volume   139.96
_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  0.9  0.0  0.11  1.0
  Ba  Ba1  1  0.89  0.0  0.55  1.0
  Cu  Cu2  1  0.94  0.0  0.65  1.0
  Pb  Pb3  1  0.98  0.0  0.65  1.0

data_Ba2CuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   5.66
_cell_length_c   6.98
_cell_angle_alpha   112.77
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuPb
_chemical_formula_sum   'Ba2 Cu1 Pb1'
_cell_volume   139.96
_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  0.11  0.9  1.0
  Ba  Ba1  1  0.0  0.55  0.89  1.0
  Cu  Cu2  1  0.0  0.65  0.94  1.0
  Pb  Pb3  1  0.0  0.65  0.98  1.0

Ba Ba Cu Pb
Ba Ba Cu Pb 0 1 o o - 0 1 o o o 0 3 o o - 0 3 o o o 0 2 o o - 0 2 o o o 1 2 o o o 2 3 o o o 
Ba2CuPb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2CuPb cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. The Ba(1)-Cu(1) bond length is 2.71 Å. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Cu(1) atom. The Ba(2)-Cu(1) bond length is 0.53 Å. Cu(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), and one Pb(1) atom. The Cu(1)-Pb(1) bond length is 0.28 Å. Pb(1) is bonded in a single-bond geometry to one Cu(1) atom.