data_Sc5Cd24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37
_cell_length_b   9.37
_cell_length_c   9.37
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Cd24
_chemical_formula_sum   'Sc5 Cd24'
_cell_volume   634.07
_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  Sc24  1  0.38  0.62  0.38  1.0
  Sc  Sc25  1  0.62  0.38  0.38  1.0
  Sc  Sc26  1  0.38  0.38  0.62  1.0
  Sc  Sc27  1  0.03  0.03  0.03  1.0
  Sc  Sc28  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.97  0.03  0.04  1.0
  Cd  Cd1  1  0.03  0.97  0.04  1.0
  Cd  Cd2  1  0.97  0.97  0.79  1.0
  Cd  Cd3  1  0.44  0.44  0.38  1.0
  Cd  Cd4  1  0.97  0.79  0.97  1.0
  Cd  Cd5  1  0.44  0.38  0.44  1.0
  Cd  Cd6  1  0.03  0.04  0.97  1.0
  Cd  Cd7  1  0.97  0.04  0.03  1.0
  Cd  Cd8  1  0.04  0.03  0.97  1.0
  Cd  Cd9  1  0.04  0.97  0.03  1.0
  Cd  Cd10  1  0.38  0.44  0.44  1.0
  Cd  Cd11  1  0.79  0.97  0.97  1.0
  Cd  Cd12  1  0.44  0.56  0.82  1.0
  Cd  Cd13  1  0.56  0.44  0.82  1.0
  Cd  Cd14  1  0.85  0.85  0.59  1.0
  Cd  Cd15  1  0.56  0.56  0.0  1.0
  Cd  Cd16  1  0.85  0.59  0.85  1.0
  Cd  Cd17  1  0.56  0.0  0.56  1.0
  Cd  Cd18  1  0.56  0.82  0.44  1.0
  Cd  Cd19  1  0.44  0.82  0.56  1.0
  Cd  Cd20  1  0.82  0.56  0.44  1.0
  Cd  Cd21  1  0.82  0.44  0.56  1.0
  Cd  Cd22  1  0.0  0.56  0.56  1.0
  Cd  Cd23  1  0.59  0.85  0.85  1.0

data_Sc5Cd24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.31
_cell_length_b   15.31
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sc5Cd24
_chemical_formula_sum   'Sc15 Cd72'
_cell_volume   1902.21
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.16  0.08  0.46  1.0
  Sc  Sc1  3  0.0  0.0  -0.0  1.0
  Sc  Sc2  3  0.0  0.0  0.03  1.0
  Cd  Cd3  18  0.02  0.04  0.01  1.0
  Cd  Cd4  18  0.16  0.45  0.27  1.0
  Cd  Cd5  9  0.02  0.04  0.42  1.0
  Cd  Cd6  9  0.06  0.12  0.91  1.0
  Cd  Cd7  9  0.09  0.17  0.76  1.0
  Cd  Cd8  9  0.19  0.37  0.38  1.0

Sc Sc Sc Sc Sc Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd
Sc Sc Sc Sc Sc Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd 0 24 o o o 0 15 o o o 0 8 o o o 0 23 o o o 1 10 o o o 1 8 o o o 1 25 o o o 1 26 o o o 2 15 o o o 2 17 o o o 2 10 o o o 2 18 o o o 3 4 o o o 5 12 o o o 5 16 o - - 6 14 o o o 6 9 - o - 7 19 o o o 7 13 + + o 7 11 + + o 8 15 o o o 8 10 o o o 9 21 o o o 9 14 + o + 10 15 o o o 11 13 o o o 12 16 o - - 16 28 o o o 17 18 o o o 17 20 o o + 18 20 o o + 22 24 o - o 22 23 o - o 23 24 o o o 25 26 o o o 25 27 + o o 26 27 + o o 
(ScCd6)3(ScCd3)2 is Cubic alpha N2-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three ScCd3 clusters and three ScCd6 clusters. In each ScCd3 cluster, there are two inequivalent Sc sites. In the first Sc site, Sc(2) is bonded in a single-bond geometry to one Sc(3) atom. The Sc(2)-Sc(3) bond length is 0.30 Å. In the second Sc site, Sc(3) is bonded in a single-bond geometry to one Sc(2) and six equivalent Cd(1) atoms. All Sc(3)-Cd(1) bond lengths are 0.55 Å. Cd(1) is bonded in a 2-coordinate geometry to one Sc(3) and one Cd(1) atom. The Cd(1)-Cd(1) bond length is 0.13 Å. In each ScCd6 cluster, Sc(1) is bonded in a 4-coordinate geometry to two equivalent Cd(3) and two equivalent Cd(4) atoms. Both Sc(1)-Cd(3) bond lengths are 1.95 Å. Both Sc(1)-Cd(4) bond lengths are 1.83 Å. There are five inequivalent Cd sites. In the first Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Cd(5) atom. The Cd(2)-Cd(5) bond length is 1.53 Å. In the second Cd site, Cd(3) is bonded in a 4-coordinate geometry to two equivalent Sc(1) and two equivalent Cd(3) atoms. Both Cd(3)-Cd(3) bond lengths are 0.99 Å. In the third Cd site, Cd(4) is bonded in a 4-coordinate geometry to one Sc(1), one Cd(4), one Cd(5), and one Cd(6) atom. The Cd(4)-Cd(4) bond length is 1.94 Å. The Cd(4)-Cd(5) bond length is 2.46 Å. The Cd(4)-Cd(6) bond length is 1.72 Å. In the fourth Cd site, Cd(5) is bonded in a distorted trigonal planar geometry to one Cd(2) and two equivalent Cd(4) atoms. In the fifth Cd site, Cd(6) is bonded in a 2-coordinate geometry to two equivalent Cd(4) atoms.