data_SrLi2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.97
_cell_length_b   10.97
_cell_length_c   10.97
_cell_angle_alpha   18.63
_cell_angle_beta   18.63
_cell_angle_gamma   18.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Sc
_chemical_formula_sum   'Sr1 Li2 Sc1'
_cell_volume   117.68
_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
  Sr  Sr3  1  0.0  0.0  0.12  1.0
  Li  Li0  1  0.0  0.0  0.35  1.0
  Li  Li1  1  0.0  0.0  0.19  1.0
  Sc  Sc2  1  0.0  0.0  0.84  1.0

data_SrLi2Sc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   3.55
_cell_length_c   10.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLi2Sc
_chemical_formula_sum   'Sr2 Li4 Sc2'
_cell_volume   235.37
_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
  Sr  Sr0  2  0.0  0.0  0.88  1.0
  Li  Li1  2  0.0  0.0  0.65  1.0
  Li  Li2  2  0.0  0.0  0.81  1.0
  Sc  Sc3  2  0.0  0.0  0.16  1.0

Sr Li Li Sc
Sr Li Li Sc 0 2 o o o 0 3 o o - 1 2 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
Li2SrSc crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2SrSc clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Li(2) atom. The Li(1)-Li(2) bond length is 1.81 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Li(1) and one Sr(1) atom. The Li(2)-Sr(1) bond length is 0.76 Å. Sr(1) is bonded in a single-bond geometry to one Li(2) and one Sc(1) atom. The Sr(1)-Sc(1) bond length is 3.13 Å. Sc(1) is bonded in a single-bond geometry to one Sr(1) atom.