data_SiTcTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcTe2
_chemical_formula_sum   'Si1 Tc1 Te2'
_cell_volume   81.09
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.67  1.0
  Te  Te2  1  0.66  0.66  0.33  1.0
  Te  Te3  1  0.66  0.66  0.01  1.0

data_SiTcTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTcTe2
_chemical_formula_sum   'Si2 Tc2 Te4'
_cell_volume   162.19
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.67  1.0
  Te  Te2  2  0.16  0.5  0.01  1.0
  Te  Te3  2  0.16  0.5  0.33  1.0

Si Tc Te Te
Si Tc Te Te 0 3 - - o 0 1 o o - 0 2 - - o 1 2 - - o 1 3 - - + 1 1 + o o 1 1 o + o 2 3 o o o 
TcSiTe2 crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a 2-coordinate geometry to one Si(1) and three equivalent Te(1) atoms. The Tc(1)-Si(1) bond length is 2.42 Å. There is one shorter (2.96 Å) and two longer (3.51 Å) Tc(1)-Te(1) bond lengths. Si(1) is bonded in a distorted single-bond geometry to one Tc(1), one Te(1), and one Te(2) atom. The Si(1)-Te(1) bond length is 2.90 Å. The Si(1)-Te(2) bond length is 1.59 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 9-coordinate geometry to three equivalent Tc(1), one Si(1), one Te(2), and four equivalent Te(1) atoms. The Te(1)-Te(2) bond length is 2.35 Å. All Te(1)-Te(1) bond lengths are 3.32 Å. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Si(1) and one Te(1) atom.