data_LiLaSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93
_cell_length_b   10.93
_cell_length_c   10.93
_cell_angle_alpha   17.82
_cell_angle_beta   17.82
_cell_angle_gamma   17.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaSc2
_chemical_formula_sum   'Li1 La1 Sc2'
_cell_volume   106.86
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  La  La0  1  0.0  0.0  0.13  1.0
  Sc  Sc2  1  0.0  0.0  0.17  1.0
  Sc  Sc3  1  0.0  0.0  0.09  1.0

data_LiLaSc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   100.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaSc2
_chemical_formula_sum   'Li2 La2 Sc4'
_cell_volume   213.71
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.87  1.0
  Sc  Sc2  2  0.0  0.0  0.83  1.0
  Sc  Sc3  2  0.0  0.0  0.91  1.0

Li La Sc Sc
LiLaSc2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiLaSc2 clusters. Li(1) is bonded in a single-bond geometry to one Sc(2) atom. The Li(1)-Sc(2) bond length is 1.02 Å. La(1) is bonded in a linear geometry to one Sc(1) and one Sc(2) atom. The La(1)-Sc(1) bond length is 0.43 Å. The La(1)-Sc(2) bond length is 0.43 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one La(1) atom. In the second Sc site, Sc(2) is bonded in a linear geometry to one Li(1) and one La(1) atom.