data_LiTc2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Au
_chemical_formula_sum   'Li1 Tc2 Au1'
_cell_volume   61.77
_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  Li1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.65  0.0  0.26  1.0
  Tc  Tc3  1  0.65  0.0  0.99  1.0
  Au  Au0  1  0.0  0.0  0.62  1.0

data_LiTc2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Au
_chemical_formula_sum   'Li1 Tc2 Au1'
_cell_volume   61.77
_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  0.0  1.0
  Tc  Tc1  1  0.65  0.0  0.26  1.0
  Tc  Tc2  1  0.65  0.0  0.99  1.0
  Au  Au3  1  0.0  0.0  0.62  1.0

Li Tc Tc Au
LiTc2Au crystallizes in the triclinic P1 space group. Li(1) is bonded in a 2-coordinate geometry to two equivalent Tc(1) and two equivalent Tc(2) atoms. There is one shorter (2.56 Å) and one longer (2.94 Å) Li(1)-Tc(1) bond length. There is one shorter (0.92 Å) and one longer (1.70 Å) Li(1)-Tc(2) bond length. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Tc(2), four equivalent Tc(1), and one Au(1) atom. The Tc(1)-Tc(2) bond length is 2.53 Å. All Tc(1)-Tc(1) bond lengths are 2.61 Å. The Tc(1)-Au(1) bond length is 3.48 Å. In the second Tc site, Tc(2) is bonded in a distorted linear geometry to two equivalent Li(1), one Tc(1), and one Au(1) atom. The Tc(2)-Au(1) bond length is 3.48 Å. Au(1) is bonded in a 6-coordinate geometry to one Tc(1), one Tc(2), and four equivalent Au(1) atoms. All Au(1)-Au(1) bond lengths are 2.61 Å.