data_YTaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaPd
_chemical_formula_sum   'Y1 Ta1 Pd1'
_cell_volume   73.24
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.98  0.98  0.98  1.0
  Pd  Pd0  1  0.66  0.66  0.66  1.0

data_YTaPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTaPd
_chemical_formula_sum   'Y3 Ta3 Pd3'
_cell_volume   219.71
_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  0.0  1.0
  Ta  Ta1  3  0.0  0.0  0.02  1.0
  Pd  Pd2  3  0.0  0.0  0.34  1.0

Y Ta Pd
YTaPd crystallizes in the trigonal R3m space group. Y(1) is bonded in a single-bond geometry to one Ta(1) and three equivalent Pd(1) atoms. The Y(1)-Ta(1) bond length is 0.22 Å. All Y(1)-Pd(1) bond lengths are 2.71 Å. Ta(1) is bonded in a single-bond geometry to one Y(1) and four equivalent Pd(1) atoms. There are three shorter (2.72 Å) and one longer (3.69 Å) Ta(1)-Pd(1) bond length. Pd(1) is bonded to three equivalent Y(1) and four equivalent Ta(1) atoms to form a mixture of edge and corner-sharing PdY3Ta4 hexagonal pyramids.