data_BaCa2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Cd
_chemical_formula_sum   'Ba1 Ca2 Cd1'
_cell_volume   160.68
_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  0.08  0.08  0.72  1.0
  Ca  Ca1  1  0.0  0.0  0.95  1.0
  Ca  Ca2  1  0.08  0.08  0.53  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

data_BaCa2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCa2Cd
_chemical_formula_sum   'Ba2 Ca4 Cd2'
_cell_volume   321.35
_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  0.08  0.0  0.72  1.0
  Ca  Ca1  2  0.0  0.0  0.95  1.0
  Ca  Ca2  2  0.08  0.0  0.53  1.0
  Cd  Cd3  2  0.0  0.0  0.0  1.0

Ba Ca Ca Cd
BaCa2Cd is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaCa2Cd clusters. Ba(1) is bonded in a linear geometry to one Ca(1) and one Ca(2) atom. The Ba(1)-Ca(1) bond length is 2.14 Å. The Ba(1)-Ca(2) bond length is 1.83 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Ba(1) and one Cd(1) atom. The Ca(1)-Cd(1) bond length is 0.47 Å. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one Ba(1) atom. Cd(1) is bonded in a single-bond geometry to one Ca(1) atom.