data_Sc5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Sn
_chemical_formula_sum   'Sc5 Sn1'
_cell_volume   140.63
_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  0.26  0.34  0.0  1.0
  Sc  Sc1  1  0.26  0.66  0.25  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.26  0.34  0.25  1.0
  Sc  Sc4  1  0.26  0.66  0.0  1.0
  Sn  Sn5  1  0.26  0.0  0.25  1.0

data_Sc5Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.52
_cell_length_c   7.26
_cell_angle_alpha   108.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Sn
_chemical_formula_sum   'Sc5 Sn1'
_cell_volume   140.63
_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  0.66  0.92  1.0
  Sc  Sc1  1  -0.0  0.34  0.6  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.25  0.34  0.6  1.0
  Sc  Sc4  1  0.25  0.66  0.92  1.0
  Sn  Sn5  1  0.25  0.0  0.26  1.0

Sc Sc Sc Sc Sc Sn
Sc Sc Sc Sc Sc Sn 0 3 o o o 0 2 o o o 0 5 o o o 1 4 o o o 1 5 o + o 2 5 o o o 3 5 o o o 4 5 o + o 
Sc5Sn is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc5Sn cluster. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 1-coordinate geometry to one Sc(3) and one Sc(4) atom. The Sc(1)-Sc(3) bond length is 1.47 Å. The Sc(1)-Sc(4) bond length is 1.15 Å. In the second Sc site, Sc(2) is bonded in a distorted L-shaped geometry to one Sc(5) and one Sn(1) atom. The Sc(2)-Sc(5) bond length is 1.15 Å. The Sc(2)-Sn(1) bond length is 2.45 Å. In the third Sc site, Sc(3) is bonded in a distorted L-shaped geometry to one Sc(1) and one Sn(1) atom. The Sc(3)-Sn(1) bond length is 2.21 Å. In the fourth Sc site, Sc(4) is bonded in a 1-coordinate geometry to one Sc(1) and one Sn(1) atom. The Sc(4)-Sn(1) bond length is 2.45 Å. In the fifth Sc site, Sc(5) is bonded in a distorted single-bond geometry to one Sc(2) and one Sn(1) atom. The Sc(5)-Sn(1) bond length is 2.73 Å. Sn(1) is bonded in a 4-coordinate geometry to one Sc(2), one Sc(3), one Sc(4), and one Sc(5) atom.