data_Sc2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RePd
_chemical_formula_sum   'Sc2 Re1 Pd1'
_cell_volume   73.98
_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  0.0  0.0  0.55  1.0
  Sc  Sc3  1  0.79  0.79  0.66  1.0
  Re  Re1  1  0.79  0.79  0.53  1.0
  Pd  Pd0  1  0.0  0.0  0.77  1.0

data_Sc2RePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2RePd
_chemical_formula_sum   'Sc4 Re2 Pd2'
_cell_volume   147.97
_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  2  0.0  0.0  0.55  1.0
  Sc  Sc1  2  0.29  0.5  0.66  1.0
  Re  Re2  2  0.29  0.5  0.53  1.0
  Pd  Pd3  2  0.0  0.0  0.77  1.0

Sc Sc Re Pd
Sc2RePd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2RePd clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted L-shaped geometry to one Re(1) and one Pd(1) atom. The Sc(1)-Re(1) bond length is 1.09 Å. The Sc(1)-Pd(1) bond length is 1.26 Å. In the second Sc site, Sc(2) is bonded in a distorted bent 120 degrees geometry to one Re(1) and one Pd(1) atom. The Sc(2)-Re(1) bond length is 0.73 Å. The Sc(2)-Pd(1) bond length is 1.25 Å. Re(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Sc(2) atom. Pd(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Sc(2) atom.