data_ScFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeRh2
_chemical_formula_sum   'Sc1 Fe1 Rh2'
_cell_volume   57.53
_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  Sc3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.8  0.0  0.0  1.0
  Rh  Rh1  1  0.4  0.8  0.43  1.0
  Rh  Rh2  1  0.4  0.2  0.43  1.0

data_ScFeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   104.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeRh2
_chemical_formula_sum   'Sc1 Fe1 Rh2'
_cell_volume   57.53
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.8  0.0  1.0
  Rh  Rh2  1  0.43  0.4  0.2  1.0
  Rh  Rh3  1  0.43  0.4  0.8  1.0

Sc Fe Rh Rh
ScFeRh2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a distorted single-bond geometry to one Fe(1), two equivalent Rh(1), and two equivalent Rh(2) atoms. The Sc(1)-Fe(1) bond length is 0.93 Å. There is one shorter (2.54 Å) and one longer (2.76 Å) Sc(1)-Rh(1) bond length. There is one shorter (2.19 Å) and one longer (2.44 Å) Sc(1)-Rh(2) bond length. Fe(1) is bonded in a distorted single-bond geometry to one Sc(1) and two equivalent Rh(1) atoms. There is one shorter (2.19 Å) and one longer (2.44 Å) Fe(1)-Rh(1) bond length. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Fe(1), and two equivalent Rh(2) atoms. There is one shorter (1.83 Å) and one longer (2.73 Å) Rh(1)-Rh(2) bond length. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and two equivalent Rh(1) atoms.