data_Zr2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnPb
_chemical_formula_sum   'Zr2 Sn1 Pb1'
_cell_volume   99.94
_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  Zr2  1  0.52  0.52  0.52  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.68  0.68  0.68  1.0
  Pb  Pb0  1  0.84  0.84  0.84  1.0

data_Zr2SnPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zr2SnPb
_chemical_formula_sum   'Zr6 Sn3 Pb3'
_cell_volume   299.81
_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
  Zr  Zr1  3  0.0  0.0  0.48  1.0
  Sn  Sn2  3  0.0  0.0  0.32  1.0
  Pb  Pb3  3  0.0  0.0  0.16  1.0

Zr Zr Sn Pb
Zr2PbSn crystallizes in the trigonal R3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to three equivalent Pb(1) and one Sn(1) atom to form distorted ZrSnPb3 trigonal pyramids that share  a cornercorner with one Pb(1)Zr4Sn trigonal bipyramid and corners with six equivalent Zr(1)SnPb3 trigonal pyramids. All Zr(1)-Pb(1) bond lengths are 3.01 Å. The Zr(1)-Sn(1) bond length is 2.02 Å. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to one Pb(1) atom. The Zr(2)-Pb(1) bond length is 2.02 Å. Pb(1) is bonded to one Zr(2), three equivalent Zr(1), and one Sn(1) atom to form distorted PbZr4Sn trigonal bipyramids that share corners with six equivalent Pb(1)Zr4Sn trigonal bipyramids and  a cornercorner with one Zr(1)SnPb3 trigonal pyramid. The Pb(1)-Sn(1) bond length is 2.02 Å. Sn(1) is bonded in a distorted linear geometry to one Zr(1) and one Pb(1) atom.