data_YSc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   4.86
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Sb
_chemical_formula_sum   'Y1 Sc2 Sb1'
_cell_volume   103.51
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.94  0.43  0.4  1.0
  Sc  Sc2  1  0.85  0.43  0.62  1.0
  Sb  Sb0  1  0.9  0.0  0.01  1.0

data_YSc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.86
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Sb
_chemical_formula_sum   'Y1 Sc2 Sb1'
_cell_volume   103.51
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.85  0.43  0.62  1.0
  Sc  Sc2  1  0.94  0.43  0.4  1.0
  Sb  Sb3  1  0.9  0.0  0.01  1.0

Y Sc Sc Sb
YSc2Sb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YSc2Sb cluster. Y(1) is bonded in a single-bond geometry to one Sb(1) atom. The Y(1)-Sb(1) bond length is 0.39 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Sc(2) and one Sb(1) atom. The Sc(1)-Sc(2) bond length is 1.47 Å. The Sc(1)-Sb(1) bond length is 3.19 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Sc(1) atom. Sb(1) is bonded in a single-bond geometry to one Y(1) and one Sc(1) atom.