data_TaSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.02
_cell_angle_alpha   105.32
_cell_angle_beta   105.32
_cell_angle_gamma   111.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiTe2
_chemical_formula_sum   'Ta1 Si1 Te2'
_cell_volume   90.53
_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
  Ta  Ta1  1  0.95  0.0  0.0  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.53  0.84  0.78  1.0
  Te  Te3  1  0.53  0.16  0.78  1.0

data_TaSiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   111.33
_cell_angle_beta   105.32
_cell_angle_gamma   105.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiTe2
_chemical_formula_sum   'Ta1 Si1 Te2'
_cell_volume   90.53
_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
  Ta  Ta0  1  0.0  0.95  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.78  0.53  0.16  1.0
  Te  Te3  1  0.78  0.53  0.84  1.0

Ta Si Te Te
TaSiTe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaSiTe2 cluster. Ta(1) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Te(1) atom. The Ta(1)-Si(1) bond length is 0.26 Å. The Ta(1)-Te(1) bond length is 1.87 Å. Si(1) is bonded in a single-bond geometry to one Ta(1) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted L-shaped geometry to one Ta(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 1.67 Å. In the second Te site, Te(2) is bonded in a 1-coordinate geometry to one Te(1) atom.