data_Li2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcNi
_chemical_formula_sum   'Li2 Tc1 Ni1'
_cell_volume   52.78
_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  0.75  0.0  0.15  1.0
  Li  Li1  1  0.0  0.75  0.15  1.0
  Tc  Tc3  1  0.75  0.75  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Li2TcNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TcNi
_chemical_formula_sum   'Li4 Tc2 Ni2'
_cell_volume   105.56
_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  4  0.38  0.38  0.15  1.0
  Tc  Tc1  2  0.25  0.5  -0.0  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Li Li Tc Ni
Li Li Tc Ni 0 2 o - o 0 1 + - o 0 3 + o o 1 2 - o o 1 3 o + o 2 3 + + o 
Li2TcNi is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2TcNi clusters. Li(1) is bonded in a 2-coordinate geometry to one Tc(1) and one Ni(1) atom. The Li(1)-Tc(1) bond length is 1.09 Å. The Li(1)-Ni(1) bond length is 1.09 Å. Tc(1) is bonded in a 2-coordinate geometry to two equivalent Li(1) atoms. Ni(1) is bonded in a 2-coordinate geometry to two equivalent Li(1) atoms.