data_LaScSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   138.55
_cell_angle_beta   138.55
_cell_angle_gamma   60.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScSb2
_chemical_formula_sum   'La1 Sc1 Sb2'
_cell_volume   109.87
_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
  La  La0  1  0.24  0.0  0.74  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.48  1.0
  Sb  Sb2  1  0.0  0.24  0.74  1.0

data_LaScSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.33
_cell_angle_alpha   110.73
_cell_angle_beta   110.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScSb2
_chemical_formula_sum   'La1 Sc1 Sb2'
_cell_volume   109.87
_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
  La  La0  1  0.74  0.5  0.5  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.48  0.48  0.48  1.0
  Sb  Sb3  1  0.5  0.74  0.5  1.0

La Sc Sb Sb
LaScSb2 crystallizes in the triclinic P1 space group. La(1) is bonded in a distorted single-bond geometry to two equivalent Sc(1), one Sb(1), and one Sb(2) atom. There is one shorter (2.96 Å) and one longer (3.74 Å) La(1)-Sc(1) bond length. The La(1)-Sb(1) bond length is 1.13 Å. The La(1)-Sb(2) bond length is 1.51 Å. Sc(1) is bonded in a 5-coordinate geometry to two equivalent La(1), one Sb(1), and two equivalent Sb(2) atoms. The Sc(1)-Sb(1) bond length is 3.02 Å. There is one shorter (2.96 Å) and one longer (3.74 Å) Sc(1)-Sb(2) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one La(1), one Sc(1), and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.13 Å. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one La(1), two equivalent Sc(1), and one Sb(1) atom.