data_ZrCuIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuIrPd
_chemical_formula_sum   'Zr1 Cu1 Ir1 Pd1'
_cell_volume   64.85
_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
  Zr  Zr3  1  0.59  0.59  0.59  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.19  0.19  0.19  1.0
  Pd  Pd2  1  0.78  0.78  0.78  1.0

data_ZrCuIrPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrCuIrPd
_chemical_formula_sum   'Zr3 Cu3 Ir3 Pd3'
_cell_volume   194.55
_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
  Zr  Zr0  3  0.0  0.0  0.41  1.0
  Cu  Cu1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.22  1.0
  Ir  Ir3  3  0.0  0.0  0.81  1.0

Zr Cu Ir Pd
Zr Cu Ir Pd 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 3 o o o 1 3 - - - 1 2 o o o 2 3 - - o 2 3 - o - 2 3 o - - 
ZrIrPdCu crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 1-coordinate geometry to three equivalent Ir(1), one Pd(1), and three equivalent Cu(1) atoms. All Zr(1)-Ir(1) bond lengths are 2.72 Å. The Zr(1)-Pd(1) bond length is 2.09 Å. All Zr(1)-Cu(1) bond lengths are 2.72 Å. Ir(1) is bonded to three equivalent Zr(1) and one Cu(1) atom to form distorted corner-sharing IrZr3Cu tetrahedra. The Ir(1)-Cu(1) bond length is 2.09 Å. Pd(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Cu(1) atom. The Pd(1)-Cu(1) bond length is 2.40 Å. Cu(1) is bonded in a 5-coordinate geometry to three equivalent Zr(1), one Ir(1), and one Pd(1) atom.