data_ZrSnPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnPdRu
_chemical_formula_sum   'Zr1 Sn1 Pd1 Ru1'
_cell_volume   71.07
_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  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.29  0.29  0.29  1.0
  Pd  Pd0  1  0.64  0.64  0.64  1.0
  Ru  Ru1  1  0.93  0.93  0.93  1.0

data_ZrSnPdRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrSnPdRu
_chemical_formula_sum   'Zr3 Sn3 Pd3 Ru3'
_cell_volume   213.22
_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
  Zr  Zr0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.71  1.0
  Ru  Ru2  3  0.0  0.0  0.07  1.0
  Pd  Pd3  3  0.0  0.0  0.36  1.0

Zr Sn Pd Ru
ZrRuPdSn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a single-bond geometry to one Ru(1), three equivalent Pd(1), and four equivalent Sn(1) atoms. The Zr(1)-Ru(1) bond length is 0.78 Å. All Zr(1)-Pd(1) bond lengths are 2.70 Å. There are three shorter (2.73 Å) and one longer (3.28 Å) Zr(1)-Sn(1) bond length. Ru(1) is bonded in a single-bond geometry to one Zr(1) and three equivalent Sn(1) atoms. All Ru(1)-Sn(1) bond lengths are 2.70 Å. Pd(1) is bonded in a distorted hexagonal planar geometry to three equivalent Zr(1) and three equivalent Sn(1) atoms. All Pd(1)-Sn(1) bond lengths are 2.70 Å. Sn(1) is bonded in a distorted q6 geometry to four equivalent Zr(1), three equivalent Ru(1), and three equivalent Pd(1) atoms.