data_ScSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Se
_chemical_formula_sum   'Sc1 Sn2 Se1'
_cell_volume   100.66
_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  0.48  1.0
  Sn  Sn2  1  0.0  0.0  0.08  1.0
  Sn  Sn3  1  0.74  0.74  0.27  1.0
  Se  Se1  1  0.74  0.74  0.65  1.0

data_ScSn2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSn2Se
_chemical_formula_sum   'Sc2 Sn4 Se2'
_cell_volume   201.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.48  1.0
  Sn  Sn1  2  0.0  0.0  0.08  1.0
  Sn  Sn2  2  0.24  0.5  0.27  1.0
  Se  Se3  2  0.24  0.5  0.65  1.0

Sc Sn Sn Se
ScSn2Se crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScSn2Se clusters. Sc(1) is bonded in a 2-coordinate geometry to one Sn(2) and one Se(1) atom. The Sc(1)-Sn(2) bond length is 2.19 Å. The Sc(1)-Se(1) bond length is 1.90 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.01 Å. In the second Sn site, Sn(2) is bonded in a 1-coordinate geometry to one Sc(1) and one Sn(1) atom. Se(1) is bonded in a single-bond geometry to one Sc(1) atom.