data_Na2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdNi
_chemical_formula_sum   'Na2 Cd1 Ni1'
_cell_volume   94.4
_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  0.0  0.0  0.33  1.0
  Na  Na2  1  0.65  0.65  0.73  1.0
  Cd  Cd0  1  0.65  0.65  0.96  1.0
  Ni  Ni3  1  0.0  0.0  0.73  1.0

data_Na2CdNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2CdNi
_chemical_formula_sum   'Na4 Cd2 Ni2'
_cell_volume   188.8
_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  0.33  1.0
  Na  Na1  2  0.15  0.5  0.73  1.0
  Cd  Cd2  2  0.15  0.5  0.96  1.0
  Ni  Ni3  2  0.0  0.0  0.73  1.0

Na Na Cd Ni
Na Na Cd Ni 0 2 - - - 0 2 - o - 0 2 o - - 0 1 - - o 0 0 + o o 0 0 o + o 0 3 o o o 1 3 + + o 1 2 o o o 
Na2NiCd crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Ni(1), and one Cd(1) atom. All Na(1)-Na(1) bond lengths are 3.29 Å. The Na(1)-Ni(1) bond length is 3.51 Å. The Na(1)-Cd(1) bond length is 3.61 Å. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and one Cd(1) atom. There is one shorter (1.64 Å) and two longer (2.43 Å) Na(2)-Ni(1) bond lengths. The Na(2)-Cd(1) bond length is 2.00 Å. Ni(1) is bonded in a 1-coordinate geometry to one Na(1) and three equivalent Na(2) atoms. Cd(1) is bonded in a single-bond geometry to one Na(1) and one Na(2) atom.