data_LiTcAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.22
_cell_angle_alpha   96.83
_cell_angle_beta   96.83
_cell_angle_gamma   31.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAg2
_chemical_formula_sum   'Li1 Tc1 Ag2'
_cell_volume   65.57
_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  Li2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.42  0.0  0.59  1.0
  Ag  Ag0  1  0.86  0.0  0.89  1.0
  Ag  Ag1  1  0.99  0.0  0.29  1.0

data_LiTcAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.93
_cell_length_c   5.22
_cell_angle_alpha   96.83
_cell_angle_beta   90.0
_cell_angle_gamma   105.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAg2
_chemical_formula_sum   'Li1 Tc1 Ag2'
_cell_volume   65.57
_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  0.0  0.58  0.41  1.0
  Ag  Ag2  1  0.0  0.01  0.71  1.0
  Ag  Ag3  1  0.0  0.14  0.11  1.0

Li Tc Ag Ag
Li Tc Ag Ag 0 2 - o - 0 3 - o o 1 3 - o o 1 1 + - o 1 2 o o o 
LiTcAg2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted bent 120 degrees geometry to one Tc(1), one Ag(1), and one Ag(2) atom. The Li(1)-Tc(1) bond length is 3.16 Å. The Li(1)-Ag(1) bond length is 0.83 Å. The Li(1)-Ag(2) bond length is 1.52 Å. Tc(1) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Tc(1), one Ag(1), and one Ag(2) atom. Both Tc(1)-Tc(1) bond lengths are 2.67 Å. The Tc(1)-Ag(1) bond length is 2.52 Å. The Tc(1)-Ag(2) bond length is 2.52 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Li(1) and one Tc(1) atom. In the second Ag site, Ag(2) is bonded in a single-bond geometry to one Li(1) and one Tc(1) atom.