data_YTaIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaIrPd
_chemical_formula_sum   'Y1 Ta1 Ir1 Pd1'
_cell_volume   71.47
_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  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.65  0.65  0.65  1.0
  Ir  Ir0  1  0.94  0.94  0.94  1.0
  Pd  Pd1  1  0.29  0.29  0.29  1.0

data_YTaIrPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTaIrPd
_chemical_formula_sum   'Y3 Ta3 Ir3 Pd3'
_cell_volume   214.42
_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  0.35  1.0
  Ir  Ir2  3  0.0  0.0  0.06  1.0
  Pd  Pd3  3  0.0  0.0  0.71  1.0

Y Ta Ir Pd
Y Ta Ir Pd 0 2 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + o 2 3 + o + 2 3 o + + 
YTaIrPd crystallizes in the trigonal R3m space group. Y(1) is bonded in a single-bond geometry to three equivalent Ta(1), one Ir(1), and four equivalent Pd(1) atoms. All Y(1)-Ta(1) bond lengths are 2.70 Å. The Y(1)-Ir(1) bond length is 0.68 Å. There are three shorter (2.73 Å) and one longer (3.35 Å) Y(1)-Pd(1) bond length. Ta(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), four equivalent Ir(1), and three equivalent Pd(1) atoms. There are three shorter (2.73 Å) and one longer (3.35 Å) Ta(1)-Ir(1) bond length. All Ta(1)-Pd(1) bond lengths are 2.70 Å. Ir(1) is bonded in a single-bond geometry to one Y(1) and four equivalent Ta(1) atoms. Pd(1) is bonded in a 7-coordinate geometry to four equivalent Y(1) and three equivalent Ta(1) atoms.