data_ScCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   137.06
_cell_angle_beta   137.06
_cell_angle_gamma   62.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Sn
_chemical_formula_sum   'Sc1 Co2 Sn1'
_cell_volume   61.05
_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
  Co  Co0  1  0.0  0.0  0.37  1.0
  Co  Co1  1  0.0  0.87  0.18  1.0
  Sn  Sn3  1  0.87  0.0  0.18  1.0

data_ScCo2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   5.11
_cell_angle_alpha   111.47
_cell_angle_beta   111.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Sn
_chemical_formula_sum   'Sc1 Co2 Sn1'
_cell_volume   61.05
_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
  Co  Co1  1  0.63  0.0  0.63  1.0
  Co  Co2  1  0.68  0.87  0.68  1.0
  Sn  Sn3  1  0.82  0.0  0.68  1.0

Sc Co Co Sn
Sc Co Co Sn 0 3 - o o 0 2 o - o 1 3 - o o 1 2 o - o 2 3 - + o 
Co2ScSn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Co2ScSn cluster. Sc(1) is bonded in a 2-coordinate geometry to one Co(2) and one Sn(1) atom. The Sc(1)-Co(2) bond length is 1.50 Å. The Sc(1)-Sn(1) bond length is 1.50 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Co(2) and one Sn(1) atom. The Co(1)-Co(2) bond length is 0.64 Å. The Co(1)-Sn(1) bond length is 0.64 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Sc(1), one Co(1), and one Sn(1) atom. The Co(2)-Sn(1) bond length is 0.69 Å. Sn(1) is bonded in a 3-coordinate geometry to one Sc(1), one Co(1), and one Co(2) atom.