data_NbCdIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdIrPd
_chemical_formula_sum   'Nb1 Cd1 Ir1 Pd1'
_cell_volume   67.18
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.84  0.84  0.84  1.0
  Ir  Ir1  1  0.23  0.23  0.23  1.0
  Pd  Pd3  1  0.61  0.61  0.61  1.0

data_NbCdIrPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbCdIrPd
_chemical_formula_sum   'Nb3 Cd3 Ir3 Pd3'
_cell_volume   201.55
_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
  Nb  Nb0  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.16  1.0
  Pd  Pd2  3  0.0  0.0  0.39  1.0
  Ir  Ir3  3  0.0  0.0  0.77  1.0

Nb Cd Ir Pd
Nb Cd Ir Pd 0 1 - - - 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 + + o 1 2 + o + 1 2 o + + 1 3 o + o 1 3 + o o 1 3 o o + 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
NbIrPdCd crystallizes in the trigonal R3m space group. Nb(1) is bonded in a 2-coordinate geometry to four equivalent Ir(1), three equivalent Pd(1), and one Cd(1) atom. There is one shorter (2.53 Å) and three longer (2.89 Å) Nb(1)-Ir(1) bond lengths. All Nb(1)-Pd(1) bond lengths are 2.70 Å. The Nb(1)-Cd(1) bond length is 1.79 Å. Ir(1) is bonded in a 10-coordinate geometry to four equivalent Nb(1), three equivalent Pd(1), and three equivalent Cd(1) atoms. All Ir(1)-Pd(1) bond lengths are 2.70 Å. All Ir(1)-Cd(1) bond lengths are 2.70 Å. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), three equivalent Ir(1), and four equivalent Cd(1) atoms. There is one shorter (2.53 Å) and three longer (2.89 Å) Pd(1)-Cd(1) bond lengths. Cd(1) is bonded in a 2-coordinate geometry to one Nb(1), three equivalent Ir(1), and four equivalent Pd(1) atoms.