data_Th6Cd7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89
_cell_length_b   11.65
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6Cd7
_chemical_formula_sum   'Th12 Cd14'
_cell_volume   692.56
_cell_formula_units_Z   2
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
  Th  Th14  1  0.54  0.33  0.0  1.0
  Th  Th15  1  0.41  0.5  0.0  1.0
  Th  Th16  1  0.48  0.14  0.0  1.0
  Th  Th17  1  0.35  0.32  0.0  1.0
  Th  Th18  1  0.5  0.35  0.01  1.0
  Th  Th19  1  0.67  0.01  0.01  1.0
  Th  Th20  1  0.27  0.83  0.01  1.0
  Th  Th21  1  0.44  0.18  0.01  1.0
  Th  Th22  1  0.44  0.47  0.01  1.0
  Th  Th23  1  0.61  0.82  0.01  1.0
  Th  Th24  1  0.22  0.64  0.01  1.0
  Th  Th25  1  0.39  0.29  0.01  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.97  0.88  0.0  1.0
  Cd  Cd2  1  0.97  0.7  0.0  1.0
  Cd  Cd3  1  0.94  0.82  0.0  1.0
  Cd  Cd4  1  0.91  0.94  0.0  1.0
  Cd  Cd5  1  0.92  0.77  0.0  1.0
  Cd  Cd6  1  0.52  0.54  0.48  1.0
  Cd  Cd7  1  0.42  0.72  0.48  1.0
  Cd  Cd8  1  0.46  0.92  0.48  1.0
  Cd  Cd9  1  0.37  0.1  0.48  1.0
  Cd  Cd10  1  0.52  0.54  0.54  1.0
  Cd  Cd11  1  0.42  0.72  0.54  1.0
  Cd  Cd12  1  0.46  0.92  0.54  1.0
  Cd  Cd13  1  0.37  0.1  0.54  1.0

data_Th6Cd7
_symmetry_space_group_name_H-M   Pm
_cell_length_a   9.89
_cell_length_b   6.02
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Th6Cd7
_chemical_formula_sum   'Th12 Cd14'
_cell_volume   692.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Th  Th0  1  0.22  0.0  0.64  1.0
  Th  Th1  1  0.27  0.0  0.83  1.0
  Th  Th2  1  0.35  0.0  0.32  1.0
  Th  Th3  1  0.39  0.0  0.29  1.0
  Th  Th4  1  0.41  0.0  0.5  1.0
  Th  Th5  1  0.44  0.0  0.18  1.0
  Th  Th6  1  0.44  0.0  0.47  1.0
  Th  Th7  1  0.48  0.0  0.14  1.0
  Th  Th8  1  0.5  0.0  0.35  1.0
  Th  Th9  1  0.54  0.0  0.33  1.0
  Th  Th10  1  0.61  0.0  0.82  1.0
  Th  Th11  1  0.67  0.0  0.01  1.0
  Cd  Cd12  2  0.37  0.48  0.1  1.0
  Cd  Cd13  2  0.42  0.48  0.72  1.0
  Cd  Cd14  2  0.46  0.48  0.92  1.0
  Cd  Cd15  2  0.52  0.48  0.54  1.0
  Cd  Cd16  1  0.0  0.0  0.0  1.0
  Cd  Cd17  1  0.91  0.0  0.94  1.0
  Cd  Cd18  1  0.92  0.0  0.77  1.0
  Cd  Cd19  1  0.94  0.0  0.82  1.0
  Cd  Cd20  1  0.97  0.0  0.88  1.0
  Cd  Cd21  1  0.97  0.0  0.7  1.0

Th Th Th Th Th Th Th Th Th Th Th Th Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd
Th6Cd7 crystallizes in the triclinic P1 space group. The structure consists of two cadmium molecules inside a Th6Cd5 framework. In the Th6Cd5 framework, there are nine inequivalent Th sites. In the first Th site, Th(1,4) is bonded in a single-bond geometry to one Th(5,12) atom. The Th(1,4)-Th(5,12) bond length is 0.46 Å. In the second Th site, Th(2) is bonded in a single-bond geometry to one Th(11) and one Th(8,9) atom. The Th(2)-Th(11) bond length is 2.46 Å. The Th(2)-Th(8,9) bond length is 0.55 Å. In the third Th site, Th(3) is bonded in a single-bond geometry to one Th(6) and one Th(8,9) atom. The Th(3)-Th(6) bond length is 2.46 Å. The Th(3)-Th(8,9) bond length is 0.55 Å. In the fourth Th site, Th(5,12) is bonded in a 3-coordinate geometry to one Th(1,4); one Th(5,12); and one Th(8,9) atom. The Th(5,12)-Th(5,12) bond length is 1.34 Å. The Th(5,12)-Th(8,9) bond length is 1.48 Å. In the fifth Th site, Th(6) is bonded in a 5-coordinate geometry to one Th(10), one Th(3), one Cd(13), one Cd(5), and one Cd(9) atom. The Th(6)-Th(10) bond length is 2.25 Å. The Th(6)-Cd(13) bond length is 3.61 Å. The Th(6)-Cd(5) bond length is 2.51 Å. The Th(6)-Cd(9) bond length is 3.61 Å. In the sixth Th site, Th(7) is bonded in a 8-coordinate geometry to one Th(10), one Th(11), one Cd(1), one Cd(12), one Cd(13), one Cd(2), one Cd(8), and one Cd(9) atom. The Th(7)-Th(10) bond length is 3.36 Å. The Th(7)-Th(11) bond length is 2.25 Å. The Th(7)-Cd(1) bond length is 3.37 Å. The Th(7)-Cd(12) bond length is 3.42 Å. The Th(7)-Cd(13) bond length is 3.57 Å. The Th(7)-Cd(2) bond length is 3.07 Å. The Th(7)-Cd(8) bond length is 3.42 Å. The Th(7)-Cd(9) bond length is 3.57 Å. In the seventh Th site, Th(8,9) is bonded in a 1-coordinate geometry to one Th(3) and one Th(5,12) atom. In the eighth Th site, Th(10) is bonded in a 2-coordinate geometry to one Th(6), one Th(7), and one Cd(6) atom. The Th(10)-Cd(6) bond length is 3.07 Å. In the ninth Th site, Th(11) is bonded in a 5-coordinate geometry to one Th(2), one Th(7), one Cd(12), one Cd(3), and one Cd(8) atom. The Th(11)-Cd(12) bond length is 3.61 Å. The Th(11)-Cd(3) bond length is 2.51 Å. The Th(11)-Cd(8) bond length is 3.61 Å. There are ten inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to one Th(7) and one Cd(5) atom. The Cd(1)-Cd(5) bond length is 1.09 Å. In the second Cd site, Cd(2) is bonded in a bent 120 degrees geometry to one Th(7), one Cd(4), and one Cd(5) atom. The Cd(2)-Cd(4) bond length is 0.71 Å. The Cd(2)-Cd(5) bond length is 0.92 Å. In the third Cd site, Cd(3) is bonded in a bent 150 degrees geometry to one Th(11) and one Cd(6) atom. The Cd(3)-Cd(6) bond length is 0.92 Å. In the fourth Cd site, Cd(4) is bonded in a linear geometry to one Cd(2) and one Cd(6) atom. The Cd(4)-Cd(6) bond length is 0.71 Å. In the fifth Cd site, Cd(5) is bonded in a 3-coordinate geometry to one Th(6), one Cd(1), and one Cd(2) atom. In the sixth Cd site, Cd(6) is bonded in a 3-coordinate geometry to one Th(10), one Cd(3), and one Cd(4) atom. In the seventh Cd site, Cd(8) is bonded in a single-bond geometry to one Th(11), one Th(7), and one Cd(12) atom. The Cd(8)-Cd(12) bond length is 0.37 Å. In the eighth Cd site, Cd(9) is bonded in a single-bond geometry to one Th(6), one Th(7), and one Cd(13) atom. The Cd(9)-Cd(13) bond length is 0.37 Å. In the ninth Cd site, Cd(12) is bonded in a single-bond geometry to one Th(11), one Th(7), and one Cd(8) atom. In the tenth Cd site, Cd(13) is bonded in a single-bond geometry to one Th(6), one Th(7), and one Cd(9) atom.