data_TcAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgTe2
_chemical_formula_sum   'Tc1 Ag1 Te2'
_cell_volume   85.94
_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
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.02  1.0
  Te  Te2  1  0.63  0.63  0.67  1.0
  Te  Te3  1  0.63  0.63  0.37  1.0

data_TcAgTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcAgTe2
_chemical_formula_sum   'Tc2 Ag2 Te4'
_cell_volume   171.88
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.02  1.0
  Te  Te2  2  0.13  0.5  0.37  1.0
  Te  Te3  2  0.13  0.5  0.67  1.0

Tc Ag Te Te
Tc Ag Te Te 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - - 0 3 - - o 1 2 - - - 1 3 - - o 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
TcAgTe2 crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a single-bond geometry to one Ag(1) and three equivalent Te(1) atoms. The Tc(1)-Ag(1) bond length is 0.16 Å. There is one shorter (3.12 Å) and two longer (3.55 Å) Tc(1)-Te(1) bond lengths. Ag(1) is bonded in a single-bond geometry to one Tc(1) and one Te(2) atom. The Ag(1)-Te(2) bond length is 3.26 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to three equivalent Tc(1), one Te(2), and four equivalent Te(1) atoms. The Te(1)-Te(2) bond length is 2.47 Å. All Te(1)-Te(1) bond lengths are 3.27 Å. In the second Te site, Te(2) is bonded to one Ag(1), one Te(1), and four equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing TeAgTe5 octahedra. The corner-sharing octahedra are not tilted. All Te(2)-Te(2) bond lengths are 3.27 Å.