data_Sc2CdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   5.01
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdRe
_chemical_formula_sum   'Sc2 Cd1 Re1'
_cell_volume   77.14
_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  0.57  0.0  0.81  1.0
  Sc  Sc3  1  0.53  0.51  0.62  1.0
  Cd  Cd0  1  0.08  0.0  0.32  1.0
  Re  Re1  1  0.06  0.51  0.24  1.0

data_Sc2CdRe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   5.01
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2CdRe
_chemical_formula_sum   'Sc2 Cd1 Re1'
_cell_volume   77.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.53  0.5  0.62  1.0
  Sc  Sc1  1  0.57  0.0  0.81  1.0
  Cd  Cd2  1  0.08  0.0  0.32  1.0
  Re  Re3  1  0.06  0.5  0.24  1.0

Sc Sc Cd Re
Sc Sc Cd Re 0 1 o - o 0 1 o o o 0 2 o o o 0 2 o o + 0 2 + o o 0 2 + o + 0 0 + o o 1 3 o o o 1 3 + o o 1 1 + o o 1 2 o + o 1 2 o o o 2 3 o - o 2 3 o o o 2 2 + o o 3 3 + o o 
Sc2ReCd crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), four equivalent Re(1), and four equivalent Cd(1) atoms. Both Sc(1)-Sc(1) bond lengths are 2.96 Å. There is one shorter (2.67 Å) and one longer (2.73 Å) Sc(1)-Sc(2) bond length. There are a spread of Sc(1)-Re(1) bond distances ranging from 3.62-3.73 Å. There are a spread of Sc(1)-Cd(1) bond distances ranging from 2.93-3.03 Å. In the second Sc site, Sc(2) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and two equivalent Re(1) atoms. There is one shorter (2.39 Å) and one longer (2.52 Å) Sc(2)-Re(1) bond length. Re(1) is bonded in a 4-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), and two equivalent Cd(1) atoms. There is one shorter (2.50 Å) and one longer (2.57 Å) Re(1)-Cd(1) bond length. Cd(1) is bonded in a 6-coordinate geometry to four equivalent Sc(1) and two equivalent Re(1) atoms.