data_Sc2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AsPd
_chemical_formula_sum   'Sc2 As1 Pd1'
_cell_volume   74.66
_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  0.7  0.7  0.85  1.0
  Sc  Sc3  1  0.7  0.7  0.58  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.21  1.0

data_Sc2AsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2AsPd
_chemical_formula_sum   'Sc4 As2 Pd2'
_cell_volume   149.32
_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  0.2  0.5  0.58  1.0
  Sc  Sc1  2  0.2  0.5  0.85  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.21  1.0

Sc Sc As Pd
Sc2PdAs crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Sc(2) and three equivalent As(1) atoms. The Sc(1)-Sc(2) bond length is 1.72 Å. There is one shorter (1.73 Å) and two longer (2.78 Å) Sc(1)-As(1) bond lengths. In the second Sc site, Sc(2) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one Pd(1) atom. The Sc(2)-Pd(1) bond length is 2.75 Å. Pd(1) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one As(1) atom. The Pd(1)-As(1) bond length is 1.37 Å. As(1) is bonded in a 4-coordinate geometry to three equivalent Sc(1) and one Pd(1) atom.