data_ScSn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   3.46
_cell_angle_alpha   93.6
_cell_angle_beta   93.6
_cell_angle_gamma   108.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Pb
_chemical_formula_sum   'Sc1 Sn2 Pb1'
_cell_volume   104.13
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.47  0.71  0.72  1.0
  Sn  Sn3  1  0.47  0.29  0.72  1.0
  Pb  Pb0  1  0.31  0.0  0.0  1.0

data_ScSn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   108.3
_cell_angle_beta   93.6
_cell_angle_gamma   93.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Pb
_chemical_formula_sum   'Sc1 Sn2 Pb1'
_cell_volume   104.13
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.72  0.47  0.71  1.0
  Sn  Sn2  1  0.72  0.47  0.29  1.0
  Pb  Pb3  1  -0.0  0.31  0.0  1.0

Sc Sn Sn Pb
ScPbSn2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a distorted single-bond geometry to one Pb(1) and one Sn(1) atom. The Sc(1)-Pb(1) bond length is 1.74 Å. The Sc(1)-Sn(1) bond length is 3.00 Å. Pb(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sn(2), and two equivalent Sn(1) atoms. The Pb(1)-Sn(2) bond length is 1.96 Å. There is one shorter (2.30 Å) and one longer (3.29 Å) Pb(1)-Sn(1) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Pb(1), and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.38 Å. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Pb(1) and one Sn(1) atom.