data_Na2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.7
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   34.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdNi
_chemical_formula_sum   'Na2 Cd1 Ni1'
_cell_volume   83.03
_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  0.06  0.0  0.04  1.0
  Na  Na2  1  0.51  0.0  0.12  1.0
  Cd  Cd0  1  0.17  0.0  0.66  1.0
  Ni  Ni3  1  0.32  0.0  0.59  1.0

data_Na2CdNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.09
_cell_length_c   5.7
_cell_angle_alpha   99.84
_cell_angle_beta   90.0
_cell_angle_gamma   107.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdNi
_chemical_formula_sum   'Na2 Cd1 Ni1'
_cell_volume   83.03
_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  Na0  1  0.0  0.49  0.88  1.0
  Na  Na1  1  0.0  0.94  0.96  1.0
  Cd  Cd2  1  0.0  0.83  0.34  1.0
  Ni  Ni3  1  0.0  0.68  0.41  1.0

Na Na Cd Ni
Na Na Cd Ni 0 2 o o - 0 1 o o o 0 1 - o o 1 3 o o - 1 3 o o o 1 2 o o - 1 1 + - o 2 3 o o o 
Na2NiCd crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to two equivalent Na(2) and one Cd(1) atom. There is one shorter (2.28 Å) and one longer (2.88 Å) Na(1)-Na(2) bond length. The Na(1)-Cd(1) bond length is 2.34 Å. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Ni(1), and one Cd(1) atom. Both Na(2)-Na(2) bond lengths are 3.05 Å. There is one shorter (3.00 Å) and one longer (3.02 Å) Na(2)-Ni(1) bond length. The Na(2)-Cd(1) bond length is 2.86 Å. Ni(1) is bonded in a single-bond geometry to two equivalent Na(2) and one Cd(1) atom. The Ni(1)-Cd(1) bond length is 0.92 Å. Cd(1) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), and one Ni(1) atom.