data_LiSc2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Cd
_chemical_formula_sum   'Li1 Sc2 Cd1'
_cell_volume   85.99
_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
  Li  Li1  1  0.0  0.0  0.09  1.0
  Sc  Sc2  1  0.75  0.75  0.91  1.0
  Sc  Sc3  1  0.0  0.0  0.86  1.0
  Cd  Cd0  1  0.75  0.75  0.66  1.0

data_LiSc2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSc2Cd
_chemical_formula_sum   'Li2 Sc4 Cd2'
_cell_volume   171.98
_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
  Li  Li0  2  0.0  0.0  0.09  1.0
  Sc  Sc1  2  0.0  0.0  0.86  1.0
  Sc  Sc2  2  0.25  0.5  0.91  1.0
  Cd  Cd3  2  0.25  0.5  0.66  1.0

Li Sc Sc Cd
LiSc2Cd is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiSc2Cd clusters. Li(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Sc(2) atom. The Li(1)-Sc(1) bond length is 1.74 Å. The Li(1)-Sc(2) bond length is 1.56 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 3-coordinate geometry to one Li(1), one Sc(2), and one Cd(1) atom. The Sc(1)-Sc(2) bond length is 1.27 Å. The Sc(1)-Cd(1) bond length is 1.71 Å. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to one Li(1), one Sc(1), and one Cd(1) atom. The Sc(2)-Cd(1) bond length is 1.86 Å. Cd(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Sc(2) atom.