data_LiScSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScSi2
_chemical_formula_sum   'Li1 Sc1 Si2'
_cell_volume   61.6
_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  Li0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.97  0.97  0.0  1.0
  Si  Si2  1  0.97  0.0  0.98  1.0
  Si  Si3  1  0.0  0.97  0.98  1.0

data_LiScSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiScSi2
_chemical_formula_sum   'Li2 Sc2 Si4'
_cell_volume   123.2
_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
  Sc  Sc1  2  0.47  0.5  -0.0  1.0
  Si  Si2  4  0.49  0.49  0.98  1.0

Li Sc Si Si
Li Sc Si Si 0 2 - o - 0 3 o - - 1 3 + o - 1 2 o + - 
LiScSi2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiScSi2 clusters. Li(1) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Si(1) atoms. The Li(1)-Sc(1) bond length is 0.16 Å. Both Li(1)-Si(1) bond lengths are 0.13 Å. Sc(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Si(1) atoms. Both Sc(1)-Si(1) bond lengths are 0.13 Å. Si(1) is bonded in a 2-coordinate geometry to one Li(1) and one Sc(1) atom.