data_Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd
_chemical_formula_sum   Cd20
_cell_volume   444.43
_cell_formula_units_Z   20
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
  Cd  Cd0  1  0.68  0.16  0.56  1.0
  Cd  Cd1  1  0.25  0.25  0.25  1.0
  Cd  Cd2  1  0.35  0.25  0.95  1.0
  Cd  Cd3  1  0.97  0.16  0.66  1.0
  Cd  Cd4  1  0.25  0.95  0.35  1.0
  Cd  Cd5  1  0.38  0.77  0.47  1.0
  Cd  Cd6  1  0.66  0.97  0.16  1.0
  Cd  Cd7  1  0.29  0.07  0.86  1.0
  Cd  Cd8  1  0.38  0.07  0.57  1.0
  Cd  Cd9  1  0.95  0.35  0.25  1.0
  Cd  Cd10  1  0.77  0.47  0.38  1.0
  Cd  Cd11  1  0.57  0.38  0.07  1.0
  Cd  Cd12  1  0.47  0.38  0.77  1.0
  Cd  Cd13  1  0.47  0.47  0.47  1.0
  Cd  Cd14  1  0.56  0.68  0.16  1.0
  Cd  Cd15  1  0.07  0.86  0.29  1.0
  Cd  Cd16  1  0.16  0.66  0.97  1.0
  Cd  Cd17  1  0.16  0.56  0.68  1.0
  Cd  Cd18  1  0.07  0.57  0.38  1.0
  Cd  Cd19  1  0.86  0.29  0.07  1.0

data_Cd
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.79
_cell_length_b   10.79
_cell_length_c   13.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Cd
_chemical_formula_sum   Cd60
_cell_volume   1333.29
_cell_formula_units_Z   60
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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
  Cd  Cd0  9  0.03  0.46  0.13  1.0
  Cd  Cd1  9  0.04  0.27  0.93  1.0
  Cd  Cd2  9  0.04  0.77  0.34  1.0
  Cd  Cd3  9  0.07  0.84  0.18  1.0
  Cd  Cd4  9  0.12  0.67  0.74  1.0
  Cd  Cd5  9  0.17  0.74  0.21  1.0
  Cd  Cd6  3  0.0  0.0  0.25  1.0
  Cd  Cd7  3  0.0  0.0  0.47  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd 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 8 o o o 0 12 o o o 0 3 o o o 0 10 o o o 1 9 - o o 1 4 o - o 1 2 o o - 2 7 o o o 2 12 o o o 2 11 o o + 4 15 o o o 4 5 o o o 4 8 o + o 5 13 o o o 5 8 o + o 5 14 o o o 5 17 o o o 6 14 o o o 7 8 o o o 9 19 o o o 9 10 o o o 9 18 + o o 10 13 o o o 10 18 + o o 10 14 o o o 11 12 o o - 11 14 o o o 11 19 o o o 12 13 o o o 12 17 o o o 15 18 o o o 16 17 o o o 17 18 o o o 
Cd crystallizes in the trigonal R3 space group. There are eight inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one Cd(7), one Cd(8), two equivalent Cd(4), and two equivalent Cd(5) atoms. The Cd(1)-Cd(7) bond length is 2.37 Å. The Cd(1)-Cd(8) bond length is 2.93 Å. There is one shorter (2.37 Å) and one longer (3.41 Å) Cd(1)-Cd(4) bond length. There is one shorter (2.78 Å) and one longer (2.84 Å) Cd(1)-Cd(5) bond length. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to one Cd(8), three equivalent Cd(3), and three equivalent Cd(7) atoms. The Cd(2)-Cd(8) bond length is 2.97 Å. All Cd(2)-Cd(3) bond lengths are 2.37 Å. All Cd(2)-Cd(7) bond lengths are 2.97 Å. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to one Cd(2), one Cd(5), one Cd(6), and one Cd(7) atom. The Cd(3)-Cd(5) bond length is 1.95 Å. The Cd(3)-Cd(6) bond length is 1.64 Å. The Cd(3)-Cd(7) bond length is 2.13 Å. In the fourth Cd site, Cd(4) is bonded in a 1-coordinate geometry to two equivalent Cd(1) atoms. In the fifth Cd site, Cd(5) is bonded in a 6-coordinate geometry to one Cd(3), one Cd(8), two equivalent Cd(1), and two equivalent Cd(7) atoms. The Cd(5)-Cd(8) bond length is 2.37 Å. There is one shorter (2.37 Å) and one longer (2.93 Å) Cd(5)-Cd(7) bond length. In the sixth Cd site, Cd(6) is bonded in a 1-coordinate geometry to one Cd(3) and one Cd(7) atom. The Cd(6)-Cd(7) bond length is 2.37 Å. In the seventh Cd site, Cd(7) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), one Cd(6), one Cd(8), and two equivalent Cd(5) atoms. The Cd(7)-Cd(8) bond length is 3.27 Å. In the eighth Cd site, Cd(8) is bonded in a 10-coordinate geometry to one Cd(2), three equivalent Cd(1), three equivalent Cd(5), and three equivalent Cd(7) atoms.