data_ZrSc2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Cd
_chemical_formula_sum   'Zr1 Sc2 Cd1'
_cell_volume   92.31
_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
  Zr  Zr3  1  0.0  0.0  0.45  1.0
  Sc  Sc1  1  0.0  0.0  0.81  1.0
  Sc  Sc2  1  0.61  0.61  0.3  1.0
  Cd  Cd0  1  0.61  0.61  0.68  1.0

data_ZrSc2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSc2Cd
_chemical_formula_sum   'Zr2 Sc4 Cd2'
_cell_volume   184.61
_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
  Zr  Zr0  2  0.0  0.0  0.45  1.0
  Sc  Sc1  2  0.0  0.0  0.81  1.0
  Sc  Sc2  2  0.11  0.5  0.3  1.0
  Cd  Cd3  2  0.11  0.5  0.68  1.0

Zr Sc Sc Cd
Sc2ZrCd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2ZrCd clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 1-coordinate geometry to one Cd(1) atom. The Sc(1)-Cd(1) bond length is 2.09 Å. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to one Zr(1) atom. The Sc(2)-Zr(1) bond length is 2.25 Å. Zr(1) is bonded in a 2-coordinate geometry to one Sc(2) and one Cd(1) atom. The Zr(1)-Cd(1) bond length is 2.69 Å. Cd(1) is bonded in a 1-coordinate geometry to one Sc(1) and one Zr(1) atom.