data_Na2ScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.4
_cell_angle_alpha   97.81
_cell_angle_beta   97.81
_cell_angle_gamma   31.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScCd
_chemical_formula_sum   'Na2 Sc1 Cd1'
_cell_volume   103.1
_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  0.65  0.0  0.37  1.0
  Na  Na2  1  0.32  0.0  0.97  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.49  0.0  0.67  1.0

data_Na2ScCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.4
_cell_length_c   6.09
_cell_angle_alpha   97.81
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScCd
_chemical_formula_sum   'Na2 Sc1 Cd1'
_cell_volume   103.1
_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  0.37  0.65  1.0
  Na  Na1  1  0.0  0.97  0.32  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.67  0.49  1.0

Na Na Sc Cd
Na Na Sc Cd 0 3 o o o 1 2 o o + 1 3 o o o 
Na2ScCd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Na2ScCd cluster. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. The Na(1)-Cd(1) bond length is 2.04 Å. In the second Na site, Na(2) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one Cd(1) atom. The Na(2)-Sc(1) bond length is 1.97 Å. The Na(2)-Cd(1) bond length is 2.04 Å. Sc(1) is bonded in a distorted single-bond geometry to one Na(2) atom. Cd(1) is bonded in a linear geometry to one Na(1) and one Na(2) atom.