data_ZrSnPdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnPdPb
_chemical_formula_sum   'Zr1 Sn1 Pd1 Pb1'
_cell_volume   87.49
_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  0.76  0.76  0.76  1.0
  Pd  Pd1  1  0.52  0.52  0.52  1.0
  Pb  Pb0  1  0.29  0.29  0.29  1.0

data_ZrSnPdPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrSnPdPb
_chemical_formula_sum   'Zr3 Sn3 Pd3 Pb3'
_cell_volume   262.48
_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  0.24  1.0
  Pd  Pd2  3  0.0  0.0  0.48  1.0
  Pb  Pb3  3  0.0  0.0  0.71  1.0

Zr Sn Pd Pb
Zr Sn Pd Pb 0 1 - - - 0 1 - - o 0 1 o - - 0 1 - o - 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 0 3 o o o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 o o o 2 3 o o + 2 3 + o o 2 3 o + o 
ZrPdPbSn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 14-coordinate geometry to six equivalent Pd(1), four equivalent Pb(1), and four equivalent Sn(1) atoms. There are three shorter (3.37 Å) and three longer (3.70 Å) Zr(1)-Pd(1) bond lengths. There are three shorter (2.94 Å) and one longer (3.48 Å) Zr(1)-Pb(1) bond length. There is one shorter (2.91 Å) and three longer (3.10 Å) Zr(1)-Sn(1) bond lengths. Pd(1) is bonded in a 14-coordinate geometry to six equivalent Zr(1), four equivalent Pb(1), and four equivalent Sn(1) atoms. There is one shorter (2.91 Å) and three longer (3.10 Å) Pd(1)-Pb(1) bond lengths. There is one shorter (2.91 Å) and three longer (3.10 Å) Pd(1)-Sn(1) bond lengths. Pb(1) is bonded in a 11-coordinate geometry to four equivalent Zr(1), four equivalent Pd(1), and three equivalent Sn(1) atoms. All Pb(1)-Sn(1) bond lengths are 3.37 Å. Sn(1) is bonded in a 11-coordinate geometry to four equivalent Zr(1), four equivalent Pd(1), and three equivalent Pb(1) atoms.