data_CaHf2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2Cd
_chemical_formula_sum   'Ca1 Hf2 Cd1'
_cell_volume   95.94
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.24  0.0  0.4  1.0
  Hf  Hf3  1  0.0  0.24  0.4  1.0
  Cd  Cd1  1  0.24  0.24  0.0  1.0

data_CaHf2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaHf2Cd
_chemical_formula_sum   'Ca2 Hf4 Cd2'
_cell_volume   191.88
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  4  0.12  0.12  0.4  1.0
  Cd  Cd2  2  0.24  0.0  0.0  1.0

Ca Hf Hf Cd
CaHf2Cd is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaHf2Cd clusters. Ca(1) is bonded in a single-bond geometry to two equivalent Hf(1) and one Cd(1) atom. Both Ca(1)-Hf(1) bond lengths are 2.17 Å. The Ca(1)-Cd(1) bond length is 1.50 Å. Hf(1) is bonded in a 3-coordinate geometry to one Ca(1), one Hf(1), and one Cd(1) atom. The Hf(1)-Hf(1) bond length is 1.50 Å. The Hf(1)-Cd(1) bond length is 2.17 Å. Cd(1) is bonded in a distorted single-bond geometry to one Ca(1) and two equivalent Hf(1) atoms.