data_NaCa2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   120.59
_cell_angle_beta   120.59
_cell_angle_gamma   88.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa2Cd
_chemical_formula_sum   'Na1 Ca2 Cd1'
_cell_volume   127.8
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.81  0.0  0.02  1.0
  Ca  Ca1  1  0.0  0.81  0.02  1.0
  Cd  Cd2  1  0.0  0.0  0.05  1.0

data_NaCa2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   134.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCa2Cd
_chemical_formula_sum   'Na2 Ca4 Cd2'
_cell_volume   255.59
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Ca  Ca1  4  0.38  0.41  0.79  1.0
  Cd  Cd2  2  0.45  0.5  0.95  1.0

Na Ca Ca Cd
Na Ca Ca Cd 0 3 o o o 0 1 - o o 0 2 o - o 1 3 + o o 2 3 o + o 
NaCa2Cd is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaCa2Cd clusters. Na(1) is bonded in a single-bond geometry to one Cd(1) atom. The Na(1)-Cd(1) bond length is 0.26 Å. Ca(1) is bonded in a single-bond geometry to one Cd(1) atom. The Ca(1)-Cd(1) bond length is 1.02 Å. Cd(1) is bonded in a distorted single-bond geometry to one Na(1) and two equivalent Ca(1) atoms.