data_BaCd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   4.41
_cell_angle_alpha   106.74
_cell_angle_beta   106.74
_cell_angle_gamma   35.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Cl
_chemical_formula_sum   'Ba1 Cd2 Cl1'
_cell_volume   127.06
_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  0.21  0.0  0.1  1.0
  Cd  Cd1  1  1.0  0.0  0.05  1.0
  Cd  Cd2  1  0.43  0.0  0.16  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_BaCd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.41
_cell_length_c   7.22
_cell_angle_alpha   106.74
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Cl
_chemical_formula_sum   'Ba1 Cd2 Cl1'
_cell_volume   127.06
_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  0.1  0.21  1.0
  Cd  Cd1  1  0.0  0.05  1.0  1.0
  Cd  Cd2  1  0.0  0.16  0.43  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ba Cd Cd Cl
Ba Cd Cd Cl 0 3 o o o 0 1 - o o 0 2 o o o 1 3 + o o 
BaCd2Cl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaCd2Cl cluster. Ba(1) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one Cl(1) atom. The Ba(1)-Cd(1) bond length is 1.50 Å. The Ba(1)-Cd(2) bond length is 1.50 Å. The Ba(1)-Cl(1) bond length is 1.47 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Ba(1) and one Cl(1) atom. The Cd(1)-Cl(1) bond length is 0.22 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Ba(1) atom. Cl(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Cd(1) atom.