data_YScPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   3.44
_cell_angle_alpha   98.12
_cell_angle_beta   98.12
_cell_angle_gamma   91.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScPd2
_chemical_formula_sum   'Y1 Sc1 Pd2'
_cell_volume   79.56
_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  Y3  1  0.4  0.0  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.36  0.27  0.69  1.0
  Pd  Pd1  1  0.36  0.73  0.69  1.0

data_YScPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   91.04
_cell_angle_beta   98.12
_cell_angle_gamma   98.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScPd2
_chemical_formula_sum   'Y1 Sc1 Pd2'
_cell_volume   79.56
_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  -0.0  0.4  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.69  0.36  0.27  1.0
  Pd  Pd3  1  0.69  0.36  0.73  1.0

Y Sc Pd Pd
YScPd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YScPd2 cluster. Y(1) is bonded in a 2-coordinate geometry to one Sc(1), one Pd(1), and one Pd(2) atom. The Y(1)-Sc(1) bond length is 1.96 Å. The Y(1)-Pd(1) bond length is 1.80 Å. The Y(1)-Pd(2) bond length is 1.56 Å. Sc(1) is bonded in a 1-coordinate geometry to one Y(1) atom. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Y(1) atom. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Y(1) atom.