data_ScGaSnPb
_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   ScGaSnPb
_chemical_formula_sum   'Sc1 Ga1 Sn1 Pb1'
_cell_volume   100.76
_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  Sc2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.54  0.54  0.54  1.0
  Sn  Sn3  1  0.69  0.69  0.69  1.0
  Pb  Pb1  1  0.85  0.85  0.85  1.0

data_ScGaSnPb
_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   ScGaSnPb
_chemical_formula_sum   'Sc3 Ga3 Sn3 Pb3'
_cell_volume   302.28
_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
  Sc  Sc0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.46  1.0
  Sn  Sn2  3  0.0  0.0  0.31  1.0
  Pb  Pb3  3  0.0  0.0  0.15  1.0

Sc Ga Sn Pb
ScGaPbSn crystallizes in the trigonal R3m space group. Sc(1) is bonded in a distorted single-bond geometry to one Pb(1) and three equivalent Sn(1) atoms. The Sc(1)-Pb(1) bond length is 1.96 Å. All Sc(1)-Sn(1) bond lengths are 3.03 Å. Ga(1) is bonded to three equivalent Pb(1) and one Sn(1) atom to form distorted GaSnPb3 trigonal pyramids that share corners with three equivalent Sn(1)Sc3GaPb trigonal bipyramids and corners with six equivalent Ga(1)SnPb3 trigonal pyramids. All Ga(1)-Pb(1) bond lengths are 3.03 Å. The Ga(1)-Sn(1) bond length is 1.96 Å. Pb(1) is bonded in a distorted linear geometry to one Sc(1), three equivalent Ga(1), and one Sn(1) atom. The Pb(1)-Sn(1) bond length is 1.96 Å. Sn(1) is bonded to three equivalent Sc(1), one Ga(1), and one Pb(1) atom to form distorted SnSc3GaPb trigonal bipyramids that share corners with six equivalent Sn(1)Sc3GaPb trigonal bipyramids and corners with three equivalent Ga(1)SnPb3 trigonal pyramids.