data_Li2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcOs
_chemical_formula_sum   'Li2 Tc1 Os1'
_cell_volume   58.82
_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  0.47  0.47  0.04  1.0
  Li  Li1  1  0.0  0.0  0.73  1.0
  Tc  Tc3  1  0.0  0.0  0.9  1.0
  Os  Os2  1  0.47  0.47  0.48  1.0

data_Li2TcOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TcOs
_chemical_formula_sum   'Li4 Tc2 Os2'
_cell_volume   117.64
_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  0.73  1.0
  Li  Li1  2  0.47  0.0  0.04  1.0
  Tc  Tc2  2  0.0  0.0  0.9  1.0
  Os  Os3  2  0.47  0.0  0.48  1.0

Li Li Tc Os
Li Li Tc Os 0 2 o o - 0 2 o + - 0 2 + o - 0 2 + + - 0 3 o o o 1 2 o o o 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 3 3 + o o 3 3 o + o 
Li2TcOs crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to four equivalent Tc(1) and one Os(1) atom. There are a spread of Li(1)-Tc(1) bond distances ranging from 2.18-2.38 Å. The Li(1)-Os(1) bond length is 3.01 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Tc(1) and four equivalent Os(1) atoms. The Li(2)-Tc(1) bond length is 1.20 Å. There are a spread of Li(2)-Os(1) bond distances ranging from 2.57-2.74 Å. Tc(1) is bonded in a distorted single-bond geometry to one Li(2) and four equivalent Li(1) atoms. Os(1) is bonded in a 5-coordinate geometry to one Li(1) and four equivalent Li(2) atoms.