data_ScTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcSe2
_chemical_formula_sum   'Sc1 Tc1 Se2'
_cell_volume   68.32
_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
  Tc  Tc3  1  0.0  0.0  0.26  1.0
  Se  Se1  1  0.62  0.62  0.72  1.0
  Se  Se2  1  0.62  0.62  0.81  1.0

data_ScTcSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTcSe2
_chemical_formula_sum   'Sc2 Tc2 Se4'
_cell_volume   136.64
_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  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.26  1.0
  Se  Se2  2  0.12  0.5  0.72  1.0
  Se  Se3  2  0.12  0.5  0.81  1.0

Sc Tc Se Se
ScTcSe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScTcSe2 clusters. Sc(1) is bonded in a 2-coordinate geometry to one Tc(1) and one Se(2) atom. The Sc(1)-Tc(1) bond length is 1.73 Å. The Sc(1)-Se(2) bond length is 2.16 Å. Tc(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 single-bond geometry to one Se(2) atom. The Se(1)-Se(2) bond length is 0.55 Å. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to one Sc(1) and one Se(1) atom.