data_Sc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Rh
_chemical_formula_sum   'Sc8 Rh4'
_cell_volume   221.85
_cell_formula_units_Z   4
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  Sc4  1  0.0  0.0  0.0  1.0
  Sc  Sc5  1  0.0  0.0  0.09  1.0
  Sc  Sc6  1  0.0  0.74  0.14  1.0
  Sc  Sc7  1  0.71  0.98  0.14  1.0
  Sc  Sc8  1  0.5  0.87  0.05  1.0
  Sc  Sc9  1  0.29  0.98  0.14  1.0
  Sc  Sc10  1  0.09  0.87  0.05  1.0
  Sc  Sc11  1  0.8  0.11  0.05  1.0
  Rh  Rh0  1  0.0  0.23  0.43  1.0
  Rh  Rh1  1  0.0  0.23  0.66  1.0
  Rh  Rh2  1  0.8  0.62  0.52  1.0
  Rh  Rh3  1  0.8  0.62  0.75  1.0

data_Sc2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Rh
_chemical_formula_sum   'Sc8 Rh4'
_cell_volume   221.85
_cell_formula_units_Z   4
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  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.09  1.0
  Sc  Sc2  1  0.0  0.74  0.14  1.0
  Sc  Sc3  1  0.09  0.87  0.05  1.0
  Sc  Sc4  1  0.29  0.98  0.14  1.0
  Sc  Sc5  1  0.5  0.87  0.05  1.0
  Sc  Sc6  1  0.71  0.98  0.14  1.0
  Sc  Sc7  1  0.8  0.11  0.05  1.0
  Rh  Rh8  1  0.0  0.23  0.43  1.0
  Rh  Rh9  1  0.0  0.23  0.66  1.0
  Rh  Rh10  1  0.8  0.62  0.52  1.0
  Rh  Rh11  1  0.8  0.62  0.75  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Rh Rh Rh Rh
Sc Sc Sc Sc Sc Sc Sc Sc Rh Rh Rh Rh 0 1 o o o 0 6 o - o 1 6 o - o 2 6 o o o 3 7 o + o 3 4 o o o 5 6 o o o 8 9 o o o 10 11 o o o 
Sc2Rh crystallizes in the triclinic P1 space group. There are eight inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Sc(2), one Sc(7), one Rh(2), and one Rh(4) atom. The Sc(1)-Sc(2) bond length is 0.74 Å. The Sc(1)-Sc(7) bond length is 1.15 Å. The Sc(1)-Rh(2) bond length is 3.05 Å. The Sc(1)-Rh(4) bond length is 2.75 Å. In the second Sc site, Sc(2) is bonded in a 2-coordinate geometry to one Sc(1), one Sc(4), one Sc(7), and one Rh(1) atom. The Sc(2)-Sc(4) bond length is 1.63 Å. The Sc(2)-Sc(7) bond length is 1.15 Å. The Sc(2)-Rh(1) bond length is 3.05 Å. In the third Sc site, Sc(3) is bonded in a distorted single-bond geometry to one Sc(7), one Rh(1), and one Rh(3) atom. The Sc(3)-Sc(7) bond length is 0.99 Å. The Sc(3)-Rh(1) bond length is 3.71 Å. The Sc(3)-Rh(3) bond length is 3.28 Å. In the fourth Sc site, Sc(4) is bonded in a 4-coordinate geometry to one Sc(2), one Sc(5), one Sc(8), and one Rh(1) atom. The Sc(4)-Sc(5) bond length is 1.23 Å. The Sc(4)-Sc(8) bond length is 0.99 Å. The Sc(4)-Rh(1) bond length is 2.84 Å. In the fifth Sc site, Sc(5) is bonded in a 2-coordinate geometry to one Sc(4) and one Sc(6) atom. The Sc(5)-Sc(6) bond length is 1.74 Å. In the sixth Sc site, Sc(6) is bonded in a 1-coordinate geometry to one Sc(5), one Sc(7), and one Rh(1) atom. The Sc(6)-Sc(7) bond length is 1.23 Å. The Sc(6)-Rh(1) bond length is 3.57 Å. In the seventh Sc site, Sc(7) is bonded in a 4-coordinate geometry to one Sc(1), one Sc(2), one Sc(3), one Sc(6), and one Rh(4) atom. The Sc(7)-Rh(4) bond length is 2.84 Å. In the eighth Sc site, Sc(8) is bonded in a distorted single-bond geometry to one Sc(4) atom. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 7-coordinate geometry to one Sc(2), one Sc(3), one Sc(4), one Sc(6), one Rh(2), and two equivalent Rh(3) atoms. The Rh(1)-Rh(2) bond length is 1.92 Å. There is one shorter (2.98 Å) and one longer (3.13 Å) Rh(1)-Rh(3) bond length. In the second Rh site, Rh(2) is bonded in a 2-coordinate geometry to one Sc(1) and one Rh(1) atom. In the third Rh site, Rh(3) is bonded in a 2-coordinate geometry to one Sc(3), one Rh(4), and two equivalent Rh(1) atoms. The Rh(3)-Rh(4) bond length is 1.92 Å. In the fourth Rh site, Rh(4) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(7), and one Rh(3) atom.