data_ScAlTlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlTlSn
_chemical_formula_sum   'Sc1 Al1 Tl1 Sn1'
_cell_volume   98.49
_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  0.83  0.83  0.83  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.5  0.5  0.5  1.0
  Sn  Sn2  1  0.67  0.67  0.67  1.0

data_ScAlTlSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScAlTlSn
_chemical_formula_sum   'Sc3 Al3 Tl3 Sn3'
_cell_volume   295.48
_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  0.17  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Tl  Tl2  3  0.0  0.0  0.5  1.0
  Sn  Sn3  3  0.0  0.0  0.33  1.0

Sc Al Tl Sn
ScTlAlSn crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 5-coordinate geometry to three equivalent Tl(1), one Al(1), and one Sn(1) atom. All Sc(1)-Tl(1) bond lengths are 2.99 Å. The Sc(1)-Al(1) bond length is 2.12 Å. The Sc(1)-Sn(1) bond length is 2.12 Å. Tl(1) is bonded to three equivalent Sc(1) and one Sn(1) atom to form distorted TlSc3Sn trigonal pyramids that share corners with three equivalent Sn(1)ScAl3Tl trigonal bipyramids, corners with six equivalent Tl(1)Sc3Sn trigonal pyramids, and edges with three equivalent Al(1)ScSn3 trigonal pyramids. The Tl(1)-Sn(1) bond length is 2.12 Å. Al(1) is bonded to one Sc(1) and three equivalent Sn(1) atoms to form distorted AlScSn3 trigonal pyramids that share  a cornercorner with one Sn(1)ScAl3Tl trigonal bipyramid, corners with six equivalent Al(1)ScSn3 trigonal pyramids, and edges with three equivalent Tl(1)Sc3Sn trigonal pyramids. All Al(1)-Sn(1) bond lengths are 2.99 Å. Sn(1) is bonded to one Sc(1), one Tl(1), and three equivalent Al(1) atoms to form distorted SnScAl3Tl trigonal bipyramids that share corners with six equivalent Sn(1)ScAl3Tl trigonal bipyramids,  a cornercorner with one Al(1)ScSn3 trigonal pyramid, and corners with three equivalent Tl(1)Sc3Sn trigonal pyramids.