data_BaZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   128.47
_cell_angle_beta   128.47
_cell_angle_gamma   75.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnCd2
_chemical_formula_sum   'Ba1 Zn1 Cd2'
_cell_volume   117.14
_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  0.59  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.53  0.29  1.0
  Cd  Cd2  1  0.53  0.0  0.29  1.0

data_BaZnCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   127.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZnCd2
_chemical_formula_sum   'Ba2 Zn2 Cd4'
_cell_volume   234.28
_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  0.59  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  4  0.24  0.24  0.77  1.0

Ba Zn Cd Cd
BaCd2Zn crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and two equivalent Zn(1) atoms. Both Ba(1)-Cd(1) bond lengths are 2.15 Å. There is one shorter (2.41 Å) and one longer (3.40 Å) Ba(1)-Zn(1) bond length. Cd(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Zn(1) atom. The Cd(1)-Zn(1) bond length is 2.41 Å. Zn(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Cd(1) atoms.