data_NbSn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Pb
_chemical_formula_sum   'Nb1 Sn2 Pb1'
_cell_volume   100.73
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.54  0.54  0.54  1.0
  Sn  Sn3  1  0.85  0.85  0.85  1.0
  Pb  Pb1  1  0.69  0.69  0.69  1.0

data_NbSn2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbSn2Pb
_chemical_formula_sum   'Nb3 Sn6 Pb3'
_cell_volume   302.2
_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
  Nb  Nb0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.15  1.0
  Sn  Sn2  3  0.0  0.0  0.46  1.0
  Pb  Pb3  3  0.0  0.0  0.31  1.0

Nb Sn Sn Pb
NbPbSn2 crystallizes in the trigonal R3m space group. Nb(1) is bonded to three equivalent Pb(1) and one Sn(2) atom to form distorted NbSnPb3 trigonal pyramids that share  a cornercorner with one Pb(1)Nb3Sn2 trigonal bipyramid and corners with six equivalent Nb(1)SnPb3 trigonal pyramids. All Nb(1)-Pb(1) bond lengths are 3.03 Å. The Nb(1)-Sn(2) bond length is 1.96 Å. Pb(1) is bonded to three equivalent Nb(1), one Sn(1), and one Sn(2) atom to form distorted PbNb3Sn2 trigonal bipyramids that share corners with six equivalent Pb(1)Nb3Sn2 trigonal bipyramids and  a cornercorner with one Nb(1)SnPb3 trigonal pyramid. The Pb(1)-Sn(1) bond length is 1.96 Å. The Pb(1)-Sn(2) bond length is 1.96 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 Nb(1) and one Pb(1) atom.