data_YScSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   116.5
_cell_angle_beta   116.5
_cell_angle_gamma   96.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScSb2
_chemical_formula_sum   'Y1 Sc1 Sb2'
_cell_volume   97.71
_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  0.4  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.68  0.7  1.0
  Sb  Sb1  1  0.68  0.0  0.7  1.0

data_YScSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.8
_cell_length_b   7.58
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   131.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YScSb2
_chemical_formula_sum   'Y2 Sc2 Sb4'
_cell_volume   195.43
_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
  Y  Y0  2  0.0  0.0  0.6  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.16  0.16  0.3  1.0

Y Sc Sb Sb
YScSb2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 5-coordinate geometry to one Sc(1) and four equivalent Sb(1) atoms. The Y(1)-Sc(1) bond length is 2.05 Å. There are two shorter (2.68 Å) and two longer (3.10 Å) Y(1)-Sb(1) bond lengths. Sc(1) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Sb(1) atoms. Both Sc(1)-Sb(1) bond lengths are 1.66 Å. Sb(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one Sc(1) atom.