data_Li2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcOs
_chemical_formula_sum   'Li2 Tc1 Os1'
_cell_volume   60.49
_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  0.42  0.0  0.12  1.0
  Li  Li1  1  0.0  0.0  0.9  1.0
  Tc  Tc3  1  0.0  0.0  0.45  1.0
  Os  Os2  1  0.42  0.0  0.64  1.0

data_Li2TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcOs
_chemical_formula_sum   'Li2 Tc1 Os1'
_cell_volume   60.49
_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  0.9  1.0
  Li  Li1  1  0.42  0.0  0.12  1.0
  Tc  Tc2  1  0.0  0.0  0.45  1.0
  Os  Os3  1  0.42  0.0  0.64  1.0

Li Li Tc Os
Li Li Tc Os 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o - 0 1 + o - 1 1 + + o 1 1 o + o 1 1 + o o 1 3 - o o 1 3 o o o 2 2 o + o 2 2 + o o 2 3 - o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 
Li2TcOs crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 9-coordinate geometry to two equivalent Li(2), six equivalent Li(1), and one Tc(1) atom. There is one shorter (2.34 Å) and one longer (2.56 Å) Li(1)-Li(2) bond length. There are four shorter (2.67 Å) and two longer (2.85 Å) Li(1)-Li(1) bond lengths. The Li(1)-Tc(1) bond length is 3.37 Å. In the second Li site, Li(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), six equivalent Li(2), and two equivalent Os(1) atoms. There are four shorter (2.67 Å) and two longer (2.85 Å) Li(2)-Li(2) bond lengths. There is one shorter (2.68 Å) and one longer (2.87 Å) Li(2)-Os(1) bond length. Tc(1) is bonded in a 2-coordinate geometry to one Li(1) and two equivalent Os(1) atoms. There is one shorter (2.09 Å) and one longer (2.33 Å) Tc(1)-Os(1) bond length. Os(1) is bonded in a 4-coordinate geometry to two equivalent Li(2) and two equivalent Tc(1) atoms.