data_BaCaCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71
_cell_length_b   9.71
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaCdSb2
_chemical_formula_sum   'Ba2 Ca2 Cd2 Sb4'
_cell_volume   335.31
_cell_formula_units_Z   2
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  0.39  0.28  0.91  1.0
  Ba  Ba1  1  0.39  0.72  0.18  1.0
  Ca  Ca2  1  0.39  0.61  0.67  1.0
  Ca  Ca3  1  0.39  0.39  0.4  1.0
  Cd  Cd4  1  0.39  0.63  0.66  1.0
  Cd  Cd5  1  0.39  0.37  0.93  1.0
  Sb  Sb6  1  0.39  0.3  0.77  1.0
  Sb  Sb7  1  0.39  0.85  0.06  1.0
  Sb  Sb8  1  0.39  0.15  0.78  1.0
  Sb  Sb9  1  0.39  0.7  0.04  1.0

data_BaCaCdSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   7.46
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   104.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaCdSb2
_chemical_formula_sum   'Ba2 Ca2 Cd2 Sb4'
_cell_volume   335.31
_cell_formula_units_Z   2
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  0.28  0.09  0.89  1.0
  Ba  Ba1  1  0.72  0.82  0.33  1.0
  Ca  Ca2  1  0.39  0.6  0.01  1.0
  Ca  Ca3  1  0.61  0.33  0.22  1.0
  Cd  Cd4  1  0.37  0.07  0.98  1.0
  Cd  Cd5  1  0.63  0.34  0.24  1.0
  Sb  Sb6  1  0.15  0.22  0.76  1.0
  Sb  Sb7  1  0.3  0.23  0.91  1.0
  Sb  Sb8  1  0.7  0.96  0.31  1.0
  Sb  Sb9  1  0.85  0.94  0.46  1.0

Ba Ba Ca Ca Cd Cd Sb Sb Sb Sb
CdCaBaCaCdSb2BaSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaCaCdSb2 cluster, one BaSb2 cluster, and one CdCa cluster. In the BaCaCdSb2 cluster, Ba(1) is bonded in a 3-coordinate geometry to one Cd(2), one Sb(1), and one Sb(3) atom. The Ba(1)-Cd(2) bond length is 0.92 Å. The Ba(1)-Sb(1) bond length is 1.06 Å. The Ba(1)-Sb(3) bond length is 1.57 Å. Ca(2) is bonded in a 1-coordinate geometry to one Sb(1) atom. The Ca(2)-Sb(1) bond length is 2.90 Å. Cd(2) is bonded in a distorted single-bond geometry to one Ba(1) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Ba(1) and one Ca(2) atom. In the second Sb site, Sb(3) is bonded in a distorted single-bond geometry to one Ba(1) atom. In the BaSb2 cluster, Ba(2) is bonded in a distorted single-bond geometry to one Sb(2) and one Sb(4) atom. The Ba(2)-Sb(2) bond length is 1.57 Å. The Ba(2)-Sb(4) bond length is 1.06 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a single-bond geometry to one Ba(2) and one Sb(2) atom. The Sb(4)-Sb(2) bond length is 1.50 Å. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Ba(2) and one Sb(4) atom. In the CdCa cluster, Ca(1) is bonded in a single-bond geometry to one Cd(1) atom. The Ca(1)-Cd(1) bond length is 0.25 Å. Cd(1) is bonded in a single-bond geometry to one Ca(1) atom.