data_BaCa2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.9
_cell_length_b   11.9
_cell_length_c   11.9
_cell_angle_alpha   19.58
_cell_angle_beta   19.58
_cell_angle_gamma   19.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Cd
_chemical_formula_sum   'Ba1 Ca2 Cd1'
_cell_volume   165.51
_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  0.5  1.0
  Ca  Ca1  1  0.0  0.0  0.66  1.0
  Ca  Ca2  1  0.0  0.0  0.34  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

data_BaCa2Cd
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   7.01
_cell_length_b   4.05
_cell_length_c   11.9
_cell_angle_alpha   90.0
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BaCa2Cd
_chemical_formula_sum   'Ba2 Ca4 Cd2'
_cell_volume   331.03
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.0  0.0  0.16  1.0
  Cd  Cd2  2  0.0  0.0  0.5  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 7440-43-9 atoms and two BaCa2 clusters. In each BaCa2 cluster, 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 1.90 Å. The Ba(1)-Ca(2) bond length is 1.90 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) atom. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one Ba(1) atom.