data_Sc2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RuRh
_chemical_formula_sum   'Sc2 Ru1 Rh1'
_cell_volume   66.77
_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  Sc2  1  0.61  0.61  0.57  1.0
  Sc  Sc3  1  0.61  0.61  0.85  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.21  1.0

data_Sc2RuRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2RuRh
_chemical_formula_sum   'Sc4 Ru2 Rh2'
_cell_volume   133.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.11  0.5  0.57  1.0
  Sc  Sc1  2  0.11  0.5  0.85  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Rh  Rh3  2  0.0  0.0  0.21  1.0

Sc Sc Ru Rh
Sc Sc Ru Rh 0 1 o o o 1 2 + + + 2 3 o o o 
Sc2RuRh crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Sc(2) and one Rh(1) atom. The Sc(1)-Sc(2) bond length is 1.81 Å. The Sc(1)-Rh(1) bond length is 2.90 Å. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one Sc(1) and four equivalent Ru(1) atoms. There are a spread of Sc(2)-Ru(1) bond distances ranging from 2.02-2.96 Å. Ru(1) is bonded in a 5-coordinate geometry to four equivalent Sc(2) and one Rh(1) atom. The Ru(1)-Rh(1) bond length is 1.33 Å. Rh(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Ru(1) atom.