data_ScCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   120.68
_cell_angle_beta   120.68
_cell_angle_gamma   88.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd3
_chemical_formula_sum   'Sc1 Cd3'
_cell_volume   85.39
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.45  0.77  1.0
  Cd  Cd1  1  0.45  0.0  0.77  1.0
  Cd  Cd2  1  0.0  0.0  0.54  1.0

data_ScCd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   134.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCd3
_chemical_formula_sum   'Sc2 Cd6'
_cell_volume   170.78
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  4  0.46  0.23  0.68  1.0
  Cd  Cd2  2  0.46  0.0  0.46  1.0

Sc Cd Cd Cd
ScCd3 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 4-coordinate geometry to two equivalent Cd(1) and two equivalent Cd(2) atoms. Both Sc(1)-Cd(1) bond lengths are 2.34 Å. There is one shorter (2.27 Å) and one longer (2.69 Å) Sc(1)-Cd(2) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted linear geometry to one Sc(1) and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 1.94 Å. In the second Cd site, Cd(2) is bonded in a see-saw-like geometry to two equivalent Sc(1) and two equivalent Cd(1) atoms.