data_Cu4SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4SnPd
_chemical_formula_sum   'Cu4 Sn1 Pd1'
_cell_volume   84.74
_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
  Cu  Cu0  1  0.61  0.61  0.36  1.0
  Cu  Cu1  1  0.61  0.36  0.61  1.0
  Cu  Cu2  1  0.36  0.61  0.61  1.0
  Cu  Cu3  1  0.36  0.36  0.36  1.0
  Sn  Sn5  1  0.74  0.74  0.74  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

data_Cu4SnPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu4SnPd
_chemical_formula_sum   'Cu12 Sn3 Pd3'
_cell_volume   254.22
_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
  Cu  Cu0  9  0.17  0.08  0.47  1.0
  Cu  Cu1  3  0.0  0.0  0.64  1.0
  Sn  Sn2  3  0.0  0.0  0.26  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Cu Cu Cu Cu Sn Pd
PdCu4Sn crystallizes in the trigonal R3m space group. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and four equivalent Sn(1) atoms. All Pd(1)-Cu(1) bond lengths are 2.71 Å. All Pd(1)-Cu(2) bond lengths are 2.86 Å. There are three shorter (2.99 Å) and one longer (3.10 Å) Pd(1)-Sn(1) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one Pd(1), one Cu(2), two equivalent Cu(1), and two equivalent Sn(1) atoms. The Cu(1)-Cu(2) bond length is 2.16 Å. Both Cu(1)-Cu(1) bond lengths are 1.25 Å. There is one shorter (2.56 Å) and one longer (2.69 Å) Cu(1)-Sn(1) bond length. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Pd(1), three equivalent Cu(1), and three equivalent Sn(1) atoms. All Cu(2)-Sn(1) bond lengths are 2.91 Å. Sn(1) is bonded in a 13-coordinate geometry to four equivalent Pd(1), three equivalent Cu(2), and six equivalent Cu(1) atoms.