data_Sc2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RhBr
_chemical_formula_sum   'Sc2 Rh1 Br1'
_cell_volume   75.33
_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  0.67  0.21  0.58  1.0
  Sc  Sc3  1  0.67  0.79  0.58  1.0
  Rh  Rh1  1  0.33  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sc2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   94.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RhBr
_chemical_formula_sum   'Sc2 Rh1 Br1'
_cell_volume   75.33
_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  0.67  0.21  1.0
  Sc  Sc1  1  0.58  0.67  0.79  1.0
  Rh  Rh2  1  0.0  0.33  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sc Sc Rh Br
Sc2RhBr crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Sc(2), two equivalent Rh(1), and two equivalent Br(1) atoms. There is one shorter (2.07 Å) and one longer (2.81 Å) Sc(1)-Sc(2) bond length. There is one shorter (2.29 Å) and one longer (2.62 Å) Sc(1)-Rh(1) bond length. There is one shorter (2.39 Å) and one longer (2.71 Å) Sc(1)-Br(1) bond length. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Rh(1), and two equivalent Br(1) atoms. There is one shorter (2.39 Å) and one longer (2.71 Å) Sc(2)-Rh(1) bond length. There is one shorter (2.29 Å) and one longer (2.62 Å) Sc(2)-Br(1) bond length. Rh(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), and one Br(1) atom. The Rh(1)-Br(1) bond length is 1.63 Å. Br(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), and one Rh(1) atom.