data_Li2ScTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScTc
_chemical_formula_sum   'Li2 Sc1 Tc1'
_cell_volume   63.96
_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  0.74  0.74  0.75  1.0
  Li  Li1  1  0.74  0.74  0.52  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.64  1.0

data_Li2ScTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2ScTc
_chemical_formula_sum   'Li4 Sc2 Tc2'
_cell_volume   127.92
_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  0.24  0.5  0.52  1.0
  Li  Li1  2  0.24  0.5  0.75  1.0
  Sc  Sc2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.64  1.0

Li Li Sc Tc
Li Li Sc Tc 0 3 + + o 0 1 o o o 0 2 + + + 1 3 + + o 2 3 o o - 
Li2ScTc is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2ScTc clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2), one Sc(1), and one Tc(1) atom. The Li(1)-Li(2) bond length is 1.19 Å. The Li(1)-Sc(1) bond length is 1.84 Å. The Li(1)-Tc(1) bond length is 1.41 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Li(1) and one Tc(1) atom. The Li(2)-Tc(1) bond length is 1.41 Å. Sc(1) is bonded in a 2-coordinate geometry to one Li(1) and one Tc(1) atom. The Sc(1)-Tc(1) bond length is 1.92 Å. Tc(1) is bonded in a 2-coordinate geometry to one Li(1), one Li(2), and one Sc(1) atom.