data_Sc2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   126.27
_cell_angle_beta   122.83
_cell_angle_gamma   82.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2PdW
_chemical_formula_sum   'Sc2 Pd1 W1'
_cell_volume   73.36
_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  Sc1  1  0.0  0.31  0.87  1.0
  Sc  Sc2  1  0.18  0.0  0.77  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.64  1.0

data_Sc2PdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.62
_cell_length_c   4.83
_cell_angle_alpha   118.59
_cell_angle_beta   116.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2PdW
_chemical_formula_sum   'Sc2 Pd1 W1'
_cell_volume   73.36
_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  0.13  0.44  0.44  1.0
  Sc  Sc1  1  0.41  0.23  0.41  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.36  0.36  0.36  1.0

Sc Sc Pd W
Sc Sc Pd W 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o + 2 3 o o - 
Sc2WPd crystallizes in the triclinic P1 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 W(1) and two equivalent Pd(1) atoms. The Sc(1)-W(1) bond length is 1.23 Å. There is one shorter (1.95 Å) and one longer (2.99 Å) Sc(1)-Pd(1) bond length. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one W(1) and two equivalent Pd(1) atoms. The Sc(2)-W(1) bond length is 0.76 Å. There is one shorter (1.75 Å) and one longer (3.47 Å) Sc(2)-Pd(1) bond length. W(1) is bonded in a distorted water-like geometry to one Sc(1), one Sc(2), and two equivalent Pd(1) atoms. There is one shorter (1.76 Å) and one longer (3.07 Å) W(1)-Pd(1) bond length. Pd(1) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), and two equivalent W(1) atoms.