data_HfSn2Pb
_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   HfSn2Pb
_chemical_formula_sum   'Hf1 Sn2 Pb1'
_cell_volume   100.21
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.53  0.53  0.53  1.0
  Sn  Sn3  1  0.84  0.84  0.84  1.0
  Pb  Pb1  1  0.69  0.69  0.69  1.0

data_HfSn2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfSn2Pb
_chemical_formula_sum   'Hf3 Sn6 Pb3'
_cell_volume   300.62
_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
  Hf  Hf0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.16  1.0
  Sn  Sn2  3  0.0  0.0  0.47  1.0
  Pb  Pb3  3  0.0  0.0  0.31  1.0

Hf Sn Sn Pb
HfPbSn2 crystallizes in the trigonal R3m space group. Hf(1) is bonded to three equivalent Pb(1) and one Sn(2) atom to form distorted HfSnPb3 trigonal pyramids that share  a cornercorner with one Pb(1)Hf3Sn2 trigonal bipyramid and corners with six equivalent Hf(1)SnPb3 trigonal pyramids. All Hf(1)-Pb(1) bond lengths are 3.02 Å. The Hf(1)-Sn(2) bond length is 2.00 Å. Pb(1) is bonded to three equivalent Hf(1), one Sn(1), and one Sn(2) atom to form distorted PbHf3Sn2 trigonal bipyramids that share corners with six equivalent Pb(1)Hf3Sn2 trigonal bipyramids and  a cornercorner with one Hf(1)SnPb3 trigonal pyramid. The Pb(1)-Sn(1) bond length is 2.00 Å. The Pb(1)-Sn(2) bond length is 2.00 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Pb(1) atom. In the second Sn site, Sn(2) is bonded in a linear geometry to one Hf(1) and one Pb(1) atom.