data_ZrSnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnPd
_chemical_formula_sum   'Zr1 Sn1 Pd1'
_cell_volume   69.03
_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  Zr0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.88  0.88  0.88  1.0
  Pd  Pd2  1  0.26  0.26  0.26  1.0

data_ZrSnPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrSnPd
_chemical_formula_sum   'Zr3 Sn3 Pd3'
_cell_volume   207.09
_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  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.12  1.0
  Pd  Pd2  3  0.0  0.0  0.74  1.0

Zr Sn Pd
PdZrSn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a single-bond geometry to four equivalent Pd(1) and one Sn(1) atom. There are three shorter (2.80 Å) and one longer (2.89 Å) Zr(1)-Pd(1) bond length. The Zr(1)-Sn(1) bond length is 1.31 Å. Pd(1) is bonded to four equivalent Zr(1) and three equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing PdZr4Sn3 hexagonal pyramids. All Pd(1)-Sn(1) bond lengths are 2.69 Å. Sn(1) is bonded in a single-bond geometry to one Zr(1) and three equivalent Pd(1) atoms.