data_YTh(BRh)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh(BRh)8
_chemical_formula_sum   'Y1 Th1 B8 Rh8'
_cell_volume   217.39
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Th  Th1  1  0.68  0.68  0.78  1.0
  B  B2  1  0.79  0.0  0.92  1.0
  B  B3  1  0.57  0.0  0.92  1.0
  B  B4  1  0.68  0.46  0.14  1.0
  B  B5  1  0.68  0.9  0.14  1.0
  B  B6  1  0.9  0.68  0.42  1.0
  B  B7  1  0.46  0.68  0.42  1.0
  B  B8  1  0.0  0.57  0.63  1.0
  B  B9  1  0.0  0.79  0.63  1.0
  Rh  Rh10  1  0.03  0.0  0.67  1.0
  Rh  Rh11  1  0.34  0.0  0.67  1.0
  Rh  Rh12  1  0.68  0.34  0.48  1.0
  Rh  Rh13  1  0.68  0.02  0.48  1.0
  Rh  Rh14  1  0.02  0.68  0.08  1.0
  Rh  Rh15  1  0.34  0.68  0.08  1.0
  Rh  Rh16  1  0.0  0.34  0.89  1.0
  Rh  Rh17  1  0.0  0.03  0.89  1.0

data_YTh(BRh)8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh(BRh)8
_chemical_formula_sum   'Y1 Th1 B8 Rh8'
_cell_volume   217.39
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Th  Th1  1  0.68  0.68  0.78  1.0
  B  B2  1  0.0  0.57  0.63  1.0
  B  B3  1  0.0  0.79  0.63  1.0
  B  B4  1  0.46  0.68  0.42  1.0
  B  B5  1  0.57  0.0  0.92  1.0
  B  B6  1  0.68  0.46  0.14  1.0
  B  B7  1  0.68  0.9  0.14  1.0
  B  B8  1  0.79  0.0  0.92  1.0
  B  B9  1  0.9  0.68  0.42  1.0
  Rh  Rh10  1  0.0  0.03  0.89  1.0
  Rh  Rh11  1  0.0  0.34  0.89  1.0
  Rh  Rh12  1  0.02  0.68  0.08  1.0
  Rh  Rh13  1  0.03  0.0  0.67  1.0
  Rh  Rh14  1  0.34  0.0  0.67  1.0
  Rh  Rh15  1  0.34  0.68  0.08  1.0
  Rh  Rh16  1  0.68  0.02  0.48  1.0
  Rh  Rh17  1  0.68  0.34  0.48  1.0

Y Th B B B B B B B B Rh Rh Rh Rh Rh Rh Rh Rh
ThY(RhB)8 crystallizes in the triclinic P1 space group. Th(1) is bonded in a 12-coordinate geometry to one Rh(2), one Rh(3), one Rh(4), one Rh(5), one Rh(6), one Rh(7), one B(1), one B(2), one B(3), one B(6), one B(7), and one B(8) atom. The Th(1)-Rh(2) bond length is 2.65 Å. The Th(1)-Rh(3) bond length is 2.90 Å. The Th(1)-Rh(4) bond length is 2.90 Å. The Th(1)-Rh(5) bond length is 2.90 Å. The Th(1)-Rh(6) bond length is 2.90 Å. The Th(1)-Rh(7) bond length is 2.65 Å. The Th(1)-B(1) bond length is 2.11 Å. The Th(1)-B(2) bond length is 2.11 Å. The Th(1)-B(3) bond length is 2.94 Å. The Th(1)-B(6) bond length is 2.94 Å. The Th(1)-B(7) bond length is 2.11 Å. The Th(1)-B(8) bond length is 2.11 Å. Y(1) is bonded in a distorted single-bond geometry to one Rh(5), one Rh(6), one Rh(7), one Rh(8), one B(1), and one B(4) atom. The Y(1)-Rh(5) bond length is 1.81 Å. The Y(1)-Rh(6) bond length is 2.57 Å. The Y(1)-Rh(7) bond length is 2.00 Å. The Y(1)-Rh(8) bond length is 0.86 Å. The Y(1)-B(1) bond length is 1.27 Å. The Y(1)-B(4) bond length is 2.06 Å. There are eight inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a distorted single-bond geometry to one Rh(2), one Rh(4), and one B(8) atom. The Rh(1)-Rh(2) bond length is 1.67 Å. The Rh(1)-Rh(4) bond length is 2.33 Å. The Rh(1)-B(8) bond length is 1.17 Å. In the second Rh site, Rh(2) is bonded in a 6-coordinate geometry to one Th(1), one Rh(1), one Rh(4), one B(2), one B(6), and one B(8) atom. The Rh(2)-Rh(4) bond length is 2.33 Å. The Rh(2)-B(2) bond length is 2.30 Å. The Rh(2)-B(6) bond length is 2.62 Å. The Rh(2)-B(8) bond length is 2.15 Å. In the third Rh site, Rh(3) is bonded in a 6-coordinate geometry to one Th(1), one Rh(4), one B(3), one B(5), one B(6), and one B(7) atom. The Rh(3)-Rh(4) bond length is 1.71 Å. The Rh(3)-B(3) bond length is 2.70 Å. The Rh(3)-B(5) bond length is 2.22 Å. The Rh(3)-B(6) bond length is 2.22 Å. The Rh(3)-B(7) bond length is 2.41 Å. In the fourth Rh site, Rh(4) is bonded in a 8-coordinate geometry to one Th(1), one Rh(1), one Rh(2), one Rh(3), one B(4), one B(5), one B(6), and one B(8) atom. The Rh(4)-B(4) bond length is 2.70 Å. The Rh(4)-B(5) bond length is 2.22 Å. The Rh(4)-B(6) bond length is 2.22 Å. The Rh(4)-B(8) bond length is 2.41 Å. In the fifth Rh site, Rh(5) is bonded in a distorted single-bond geometry to one Th(1), one Y(1), one Rh(6), one Rh(7), one B(3), one B(4), and one B(5) atom. The Rh(5)-Rh(6) bond length is 1.71 Å. The Rh(5)-Rh(7) bond length is 2.33 Å. The Rh(5)-B(3) bond length is 2.22 Å. The Rh(5)-B(4) bond length is 2.22 Å. The Rh(5)-B(5) bond length is 2.70 Å. In the sixth Rh site, Rh(6) is bonded in a 7-coordinate geometry to one Th(1), one Y(1), one Rh(5), one B(2), one B(3), one B(4), and one B(6) atom. The Rh(6)-B(2) bond length is 2.41 Å. The Rh(6)-B(3) bond length is 2.22 Å. The Rh(6)-B(4) bond length is 2.22 Å. The Rh(6)-B(6) bond length is 2.70 Å. In the seventh Rh site, Rh(7) is bonded in a 7-coordinate geometry to one Th(1), one Y(1), one Rh(5), one Rh(8), one B(1), one B(3), and one B(7) atom. The Rh(7)-Rh(8) bond length is 1.67 Å. The Rh(7)-B(1) bond length is 2.15 Å. The Rh(7)-B(3) bond length is 2.62 Å. The Rh(7)-B(7) bond length is 2.30 Å. In the eighth Rh site, Rh(8) is bonded in a distorted single-bond geometry to one Y(1), one Rh(7), and one B(1) atom. The Rh(8)-B(1) bond length is 1.17 Å. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to one Th(1), one Y(1), one Rh(7), one Rh(8), one B(2), and one B(4) atom. The B(1)-B(2) bond length is 1.16 Å. The B(1)-B(4) bond length is 1.78 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to one Th(1), one Rh(2), one Rh(6), one B(1), and one B(4) atom. The B(2)-B(4) bond length is 1.78 Å. In the third B site, B(3) is bonded in a 2-coordinate geometry to one Th(1), one Rh(3), one Rh(5), one Rh(6), and one Rh(7) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Y(1), one Rh(4), one Rh(5), one Rh(6), one B(1), and one B(2) atom. In the fifth B site, B(5) is bonded in a 5-coordinate geometry to one Rh(3), one Rh(4), one Rh(5), one B(6), one B(7), and one B(8) atom. The B(5)-B(6) bond length is 2.36 Å. The B(5)-B(7) bond length is 1.78 Å. The B(5)-B(8) bond length is 1.78 Å. In the sixth B site, B(6) is bonded in a 6-coordinate geometry to one Th(1), one Rh(2), one Rh(3), one Rh(4), one Rh(6), and one B(5) atom. In the seventh B site, B(7) is bonded in a 5-coordinate geometry to one Th(1), one Rh(3), one Rh(7), one B(5), and one B(8) atom. The B(7)-B(8) bond length is 1.16 Å. In the eighth B site, B(8) is bonded in a 1-coordinate geometry to one Th(1), one Rh(1), one Rh(2), one Rh(4), one B(5), and one B(7) atom.