data_Y2ScPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.68
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   92.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScPd
_chemical_formula_sum   'Y2 Sc1 Pd1'
_cell_volume   99.0
_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
  Y  Y2  1  0.77  0.84  0.08  1.0
  Y  Y3  1  0.49  0.84  0.38  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.82  0.0  0.73  1.0

data_Y2ScPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.68
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   92.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScPd
_chemical_formula_sum   'Y2 Sc1 Pd1'
_cell_volume   99.0
_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
  Y  Y0  1  0.49  0.84  0.38  1.0
  Y  Y1  1  0.77  0.84  0.08  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.82  0.0  0.73  1.0

Y Y Sc Pd
Y Y Sc Pd 0 2 + + o 0 1 o o o 1 3 o + o 2 3 - o - 
Y2ScPd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Y2ScPd cluster. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Sc(1) atom. The Y(1)-Sc(1) bond length is 1.20 Å. In the second Y site, Y(2) is bonded in a 1-coordinate geometry to one Pd(1) atom. The Y(2)-Pd(1) bond length is 2.89 Å. Sc(1) is bonded in a distorted water-like geometry to one Y(1) and one Pd(1) atom. The Sc(1)-Pd(1) bond length is 2.10 Å. Pd(1) is bonded in a 2-coordinate geometry to one Y(2) and one Sc(1) atom.