data_LiScTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   157.86
_cell_angle_beta   157.86
_cell_angle_gamma   31.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScTa
_chemical_formula_sum   'Li1 Sc1 Ta1'
_cell_volume   61.71
_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  0.12  1.0
  Sc  Sc1  1  0.0  0.0  0.64  1.0
  Ta  Ta2  1  0.0  0.0  0.82  1.0

data_LiScTa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   105.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiScTa
_chemical_formula_sum   'Li2 Sc2 Ta2'
_cell_volume   123.43
_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  0.88  1.0
  Sc  Sc1  2  0.0  0.0  0.36  1.0
  Ta  Ta2  2  0.0  0.0  0.18  1.0

Li Sc Ta
Li Sc Ta 0 2 o o - 1 2 o o o 
LiScTa crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiScTa clusters. Li(1) is bonded in a single-bond geometry to one Ta(1) atom. The Li(1)-Ta(1) bond length is 2.22 Å. Sc(1) is bonded in a single-bond geometry to one Ta(1) atom. The Sc(1)-Ta(1) bond length is 1.41 Å. Ta(1) is bonded in a linear geometry to one Li(1) and one Sc(1) atom.