data_YCuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuPd
_chemical_formula_sum   'Y1 Cu1 Pd1'
_cell_volume   69.58
_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  0.63  0.63  0.63  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.26  0.26  0.26  1.0

data_YCuPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YCuPd
_chemical_formula_sum   'Y3 Cu3 Pd3'
_cell_volume   208.74
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.37  1.0
  Cu  Cu1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.74  1.0

Y Cu Pd
CuPdY crystallizes in the trigonal R3m space group. Y(1) is bonded in a hexagonal planar geometry to three equivalent Pd(1) and three equivalent Cu(1) atoms. All Y(1)-Pd(1) bond lengths are 2.69 Å. All Y(1)-Cu(1) bond lengths are 2.69 Å. Pd(1) is bonded to three equivalent Y(1) and four equivalent Cu(1) atoms to form distorted PdY3Cu4 hexagonal pyramids that share corners with three equivalent Cu(1)Y3Pd4 hexagonal pyramids, corners with six equivalent Pd(1)Y3Cu4 hexagonal pyramids, edges with three equivalent Cu(1)Y3Pd4 hexagonal pyramids, and edges with six equivalent Pd(1)Y3Cu4 hexagonal pyramids. There are three shorter (2.78 Å) and one longer (2.99 Å) Pd(1)-Cu(1) bond length. Cu(1) is bonded to three equivalent Y(1) and four equivalent Pd(1) atoms to form distorted CuY3Pd4 hexagonal pyramids that share corners with three equivalent Pd(1)Y3Cu4 hexagonal pyramids, corners with six equivalent Cu(1)Y3Pd4 hexagonal pyramids, edges with three equivalent Pd(1)Y3Cu4 hexagonal pyramids, and edges with six equivalent Cu(1)Y3Pd4 hexagonal pyramids.