data_TiTc2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   8.56
_cell_angle_alpha   20.86
_cell_angle_beta   20.86
_cell_angle_gamma   20.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2Te
_chemical_formula_sum   'Ti1 Tc2 Te1'
_cell_volume   69.48
_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
  Ti  Ti3  1  0.0  0.0  0.47  1.0
  Tc  Tc0  1  0.0  0.0  0.08  1.0
  Tc  Tc1  1  0.0  0.0  0.69  1.0
  Te  Te2  1  0.0  0.0  0.51  1.0

data_TiTc2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   3.1
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   102.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTc2Te
_chemical_formula_sum   'Ti2 Tc4 Te2'
_cell_volume   138.97
_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
  Ti  Ti0  2  0.0  0.0  0.53  1.0
  Tc  Tc1  2  0.0  0.0  0.31  1.0
  Tc  Tc2  2  0.0  0.0  0.92  1.0
  Te  Te3  2  0.0  0.0  0.49  1.0

Ti Tc Tc Te
TiTc2Te crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a single-bond geometry to one Tc(1) and one Te(1) atom. The Ti(1)-Tc(1) bond length is 3.34 Å. The Ti(1)-Te(1) bond length is 0.34 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one Ti(1), one Tc(2), and six equivalent Tc(1) atoms to form a mixture of distorted edge and corner-sharing TcTiTc7 hexagonal bipyramids. The Tc(1)-Tc(2) bond length is 3.29 Å. All Tc(1)-Tc(1) bond lengths are 3.10 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Tc(1) and one Te(1) atom. The Tc(2)-Te(1) bond length is 1.59 Å. Te(1) is bonded in a single-bond geometry to one Ti(1) and one Tc(2) atom.