data_YSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2
_chemical_formula_sum   'Y2 Sc4'
_cell_volume   163.28
_cell_formula_units_Z   2
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
  Y  Y4  1  0.71  0.9  0.02  1.0
  Y  Y5  1  0.71  0.1  0.34  1.0
  Sc  Sc0  1  0.71  0.13  0.02  1.0
  Sc  Sc1  1  0.71  0.87  0.34  1.0
  Sc  Sc2  1  0.71  0.95  0.34  1.0
  Sc  Sc3  1  0.71  0.05  0.02  1.0

data_YSc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.43
_cell_length_b   5.37
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YSc2
_chemical_formula_sum   'Y2 Sc4'
_cell_volume   163.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Y  Y0  2  0.1  0.34  0.1  1.0
  Sc  Sc1  2  0.05  0.66  0.05  1.0
  Sc  Sc2  2  0.13  0.66  0.13  1.0

Y Y Sc Sc Sc Sc
Y Y Sc Sc Sc Sc 0 5 o + o 1 4 o - o 2 5 o o o 3 4 o o o 
YSc2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two YSc2 clusters. Y(1) is bonded in a distorted single-bond geometry to one Sc(2) atom. The Y(1)-Sc(2) bond length is 1.36 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Sc(2) atom. The Sc(1)-Sc(2) bond length is 0.70 Å. In the second Sc site, Sc(2) is bonded in a distorted linear geometry to one Y(1) and one Sc(1) atom.