data_Sr2LiSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   135.78
_cell_angle_beta   135.78
_cell_angle_gamma   64.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiSc
_chemical_formula_sum   'Sr2 Li1 Sc1'
_cell_volume   150.26
_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  Sr2  1  0.0  0.0  0.75  1.0
  Sr  Sr3  1  0.0  0.56  0.87  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.56  0.0  0.87  1.0

data_Sr2LiSc
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   6.79
_cell_angle_alpha   112.11
_cell_angle_beta   112.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiSc
_chemical_formula_sum   'Sr2 Li1 Sc1'
_cell_volume   150.26
_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  Sr0  1  0.25  0.0  0.25  1.0
  Sr  Sr1  1  0.68  0.56  0.68  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.13  0.0  0.68  1.0

Sr Sr Li Sc
LiSr2Sc crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Sc(1) atom. The Li(1)-Sr(1) bond length is 1.70 Å. The Li(1)-Sr(2) bond length is 2.48 Å. The Li(1)-Sc(1) bond length is 2.48 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Li(1), one Sr(2), and one Sc(1) atom. The Sr(1)-Sr(2) bond length is 3.22 Å. The Sr(1)-Sc(1) bond length is 3.22 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), and four equivalent Sc(1) atoms. There are a spread of Sr(2)-Sc(1) bond distances ranging from 3.21-4.02 Å. Sc(1) is bonded in a 1-coordinate geometry to one Li(1), one Sr(1), and four equivalent Sr(2) atoms.