data_Sc2ReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   121.55
_cell_angle_beta   121.55
_cell_angle_gamma   87.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReBi
_chemical_formula_sum   'Sc2 Re1 Bi1'
_cell_volume   79.35
_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  0.37  0.0  0.76  1.0
  Sc  Sc3  1  0.0  0.37  0.76  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.52  1.0

data_Sc2ReBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   133.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2ReBi
_chemical_formula_sum   'Sc4 Re2 Bi2'
_cell_volume   158.7
_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  4  0.31  0.31  0.38  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.52  1.0

Sc Sc Re Bi
Sc Sc Re Bi 0 3 o o o 0 2 + o + 0 2 o o + 1 3 o o o 1 2 o o + 1 2 o + + 2 3 o o - 2 3 o o o 
Sc2ReBi crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a distorted single-bond geometry to two equivalent Re(1) and one Bi(1) atom. Both Sc(1)-Re(1) bond lengths are 2.63 Å. The Sc(1)-Bi(1) bond length is 1.57 Å. Re(1) is bonded in a 6-coordinate geometry to four equivalent Sc(1) and two equivalent Bi(1) atoms. There is one shorter (2.35 Å) and one longer (2.52 Å) Re(1)-Bi(1) bond length. Bi(1) is bonded in a water-like geometry to two equivalent Sc(1) and two equivalent Re(1) atoms.