data_ScSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   140.34
_cell_angle_beta   107.32
_cell_angle_gamma   86.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnSe2
_chemical_formula_sum   'Sc1 Sn1 Se2'
_cell_volume   104.01
_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
  Sn  Sn3  1  0.0  0.0  0.1  1.0
  Se  Se1  1  0.0  0.33  0.26  1.0
  Se  Se2  1  0.9  0.0  0.84  1.0

data_ScSnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   72.68
_cell_angle_beta   70.17
_cell_angle_gamma   70.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnSe2
_chemical_formula_sum   'Sc1 Sn1 Se2'
_cell_volume   104.01
_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
  Sn  Sn1  1  0.0  0.0  0.1  1.0
  Se  Se2  1  0.0  0.1  0.84  1.0
  Se  Se3  1  0.33  0.0  0.93  1.0

Sc Sn Se Se
ScSnSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScSnSe2 cluster. Sc(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1), one Se(1), and one Se(2) atom. The Sc(1)-Sn(1) bond length is 0.57 Å. The Sc(1)-Se(1) bond length is 1.17 Å. The Sc(1)-Se(2) bond length is 0.88 Å. Sn(1) is bonded in a single-bond geometry to one Sc(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one Sc(1) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one Sc(1) atom.