data_BaCa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Pb
_chemical_formula_sum   'Ba1 Ca2 Pb1'
_cell_volume   165.25
_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  0.0  1.0
  Ca  Ca1  1  0.99  0.99  0.29  1.0
  Ca  Ca2  1  0.99  0.99  0.14  1.0
  Pb  Pb3  1  0.0  0.0  0.22  1.0

data_BaCa2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCa2Pb
_chemical_formula_sum   'Ba2 Ca4 Pb2'
_cell_volume   330.5
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Ca  Ca1  2  0.49  0.5  0.14  1.0
  Ca  Ca2  2  0.49  0.5  0.29  1.0
  Pb  Pb3  2  0.0  0.0  0.22  1.0

Ba Ca Ca Pb
BaCa2Pb is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaCa2Pb clusters. Ba(1) is bonded in a single-bond geometry to one Ca(2) atom. The Ba(1)-Ca(2) bond length is 1.51 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Pb(1) atom. The Ca(1)-Pb(1) bond length is 0.77 Å. In the second Ca site, Ca(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Pb(1) atom. The Ca(2)-Pb(1) bond length is 0.77 Å. Pb(1) is bonded in a linear geometry to one Ca(1) and one Ca(2) atom.