data_Na2ZrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrCd
_chemical_formula_sum   'Na2 Zr1 Cd1'
_cell_volume   101.45
_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  Na1  1  0.15  0.0  0.75  1.0
  Na  Na2  1  0.0  0.15  0.75  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.15  0.15  0.0  1.0

data_Na2ZrCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2ZrCd
_chemical_formula_sum   'Na4 Zr2 Cd2'
_cell_volume   202.9
_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  4  0.07  0.07  0.75  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  0.15  0.0  -0.0  1.0

Na Na Zr Cd
Na Na Zr Cd 0 1 o o o 2 3 o o o 
Na2ZrCd is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Na2ZrCd clusters. Na(1) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Cd(1) atom. The Na(1)-Na(1) bond length is 0.89 Å. The Na(1)-Zr(1) bond length is 1.50 Å. The Na(1)-Cd(1) bond length is 1.50 Å. Zr(1) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one Cd(1) atom. The Zr(1)-Cd(1) bond length is 0.89 Å. Cd(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Zr(1) atom.