data_Sc2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.29
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReRh
_chemical_formula_sum   'Sc2 Re1 Rh1'
_cell_volume   68.44
_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  0.58  0.64  0.64  1.0
  Sc  Sc3  1  0.58  0.64  0.95  1.0
  Re  Re0  1  0.0  0.0  0.29  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_Sc2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.29
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReRh
_chemical_formula_sum   'Sc2 Re1 Rh1'
_cell_volume   68.44
_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  Sc0  1  0.58  0.64  0.64  1.0
  Sc  Sc1  1  0.58  0.64  0.95  1.0
  Re  Re2  1  0.0  0.0  0.29  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Sc Sc Re Rh
Sc Sc Re Rh 0 1 o o o 1 3 o + + 1 3 + + + 2 3 o o o 
Sc2ReRh crystallizes in the triclinic P1 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 Re(1) atom. The Sc(1)-Sc(2) bond length is 2.05 Å. The Sc(1)-Re(1) bond length is 2.88 Å. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one Sc(1) and four equivalent Rh(1) atoms. There are a spread of Sc(2)-Rh(1) bond distances ranging from 1.80-2.82 Å. Re(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Rh(1) atom. The Re(1)-Rh(1) bond length is 1.94 Å. Rh(1) is bonded in a 5-coordinate geometry to four equivalent Sc(2) and one Re(1) atom.