data_ScAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   25.96
_cell_angle_beta   25.96
_cell_angle_gamma   25.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAsSe2
_chemical_formula_sum   'Sc1 As1 Se2'
_cell_volume   90.53
_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  Sc1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.77  1.0
  Se  Se2  1  0.0  0.0  0.16  1.0
  Se  Se3  1  0.0  0.0  0.38  1.0

data_ScAsSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.32
_cell_length_b   3.65
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   105.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScAsSe2
_chemical_formula_sum   'Sc2 As2 Se4'
_cell_volume   181.07
_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
  As  As1  2  0.0  0.0  0.23  1.0
  Se  Se2  2  0.0  0.0  0.84  1.0
  Se  Se3  2  0.0  0.0  0.62  1.0

Sc As Se Se
Sc As Se Se 0 2 o o o 0 1 o o - 2 3 o o o 
ScAsSe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScAsSe2 clusters. Sc(1) is bonded in a linear geometry to one As(1) and one Se(1) atom. The Sc(1)-As(1) bond length is 1.86 Å. The Sc(1)-Se(1) bond length is 1.32 Å. As(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 Sc(1) and one Se(2) atom. The Se(1)-Se(2) bond length is 1.77 Å. In the second Se site, Se(2) is bonded in a single-bond geometry to one Se(1) atom.