data_Li2TaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.96
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   99.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaTc
_chemical_formula_sum   'Li2 Ta1 Tc1'
_cell_volume   63.46
_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  0.03  0.48  0.59  1.0
  Li  Li1  1  0.93  0.48  0.11  1.0
  Ta  Ta2  1  0.98  0.0  0.35  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Li2TaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.76
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaTc
_chemical_formula_sum   'Li2 Ta1 Tc1'
_cell_volume   63.46
_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  0.07  0.89  0.52  1.0
  Li  Li1  1  0.97  0.41  0.52  1.0
  Ta  Ta2  1  0.02  0.65  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Li Li Ta Tc
Li Li Ta Tc 0 2 - o o 0 2 - + o 0 1 - o o 0 1 - o + 0 0 + o o 1 1 + o o 1 3 + o o 1 3 + + o 1 2 o o o 1 2 o + o 2 3 + o o 
Li2TaTc crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Ta(1), and two equivalent Tc(1) atoms. Both Li(1)-Li(1) bond lengths are 2.72 Å. There is one shorter (2.27 Å) and one longer (2.53 Å) Li(1)-Li(2) bond length. There is one shorter (2.64 Å) and one longer (2.82 Å) Li(1)-Ta(1) bond length. There is one shorter (3.08 Å) and one longer (3.24 Å) Li(1)-Tc(1) bond length. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Ta(1), and two equivalent Tc(1) atoms. Both Li(2)-Li(2) bond lengths are 2.72 Å. There is one shorter (2.64 Å) and one longer (2.82 Å) Li(2)-Ta(1) bond length. There is one shorter (2.45 Å) and one longer (2.65 Å) Li(2)-Tc(1) bond length. Ta(1) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Li(2), and one Tc(1) atom. The Ta(1)-Tc(1) bond length is 1.68 Å. Tc(1) is bonded in a 1-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Ta(1) atom.