data_TaCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   6.34
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   114.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoTe2
_chemical_formula_sum   'Ta4 Co4 Te8'
_cell_volume   383.69
_cell_formula_units_Z   4
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  0.39  0.14  0.19  1.0
  Ta  Ta1  1  0.53  0.31  0.35  1.0
  Ta  Ta2  1  0.91  0.2  0.9  1.0
  Ta  Ta3  1  0.78  0.03  0.73  1.0
  Co  Co4  1  0.36  0.95  0.68  1.0
  Co  Co5  1  0.94  0.39  0.41  1.0
  Co  Co6  1  0.98  0.22  0.14  1.0
  Co  Co7  1  0.32  0.12  0.95  1.0
  Te  Te8  1  0.22  0.71  0.55  1.0
  Te  Te9  1  0.6  0.8  0.09  1.0
  Te  Te10  1  0.7  0.54  0.99  1.0
  Te  Te11  1  0.08  0.63  0.54  1.0
  Te  Te12  1  0.92  0.75  0.39  1.0
  Te  Te13  1  0.77  0.58  0.24  1.0
  Te  Te14  1  0.39  0.59  0.7  1.0
  Te  Te15  1  0.53  0.76  0.84  1.0

data_TaCoTe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.34
_cell_length_b   7.79
_cell_length_c   8.54
_cell_angle_alpha   114.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaCoTe2
_chemical_formula_sum   'Ta4 Co4 Te8'
_cell_volume   383.69
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.03  0.85  0.76  1.0
  Ta  Ta1  2  0.14  0.31  0.38  1.0
  Co  Co2  2  0.05  0.09  0.83  1.0
  Co  Co3  2  0.22  0.36  0.79  1.0
  Te  Te4  2  0.37  0.95  0.55  1.0
  Te  Te5  2  0.41  0.2  0.62  1.0
  Te  Te6  2  0.42  0.66  0.24  1.0
  Te  Te7  2  0.46  0.49  0.93  1.0

Ta Ta Ta Ta Co Co Co Co Te Te Te Te Te Te Te Te
Ta Ta Ta Ta Co Co Co Co Te Te Te Te Te Te Te Te 0 7 o o - 0 1 o o o 2 3 o o o 2 6 o o + 4 8 o o o 4 15 o o o 4 14 o o o 5 13 o o o 5 12 o o o 5 11 + o o 8 11 o o o 8 14 o o o 9 15 o o - 9 10 o o - 9 13 o o o 10 15 o o o 10 13 o o + 11 12 - o o 12 13 o o o 14 15 o o o 
TaCoTe2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one Ta(2), two equivalent Co(2), and one Te(2) atom. The Ta(1)-Ta(2) bond length is 1.70 Å. There is one shorter (1.72 Å) and one longer (3.42 Å) Ta(1)-Co(2) bond length. The Ta(1)-Te(2) bond length is 3.09 Å. In the second Ta site, Ta(2) is bonded in a distorted bent 120 degrees geometry to one Ta(1) and one Te(4) atom. The Ta(2)-Te(4) bond length is 3.07 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to one Te(1) and one Te(4) atom. The Co(1)-Te(1) bond length is 1.94 Å. The Co(1)-Te(4) bond length is 1.92 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to two equivalent Ta(1) and one Te(2) atom. The Co(2)-Te(2) bond length is 3.01 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Co(1), one Te(1), and one Te(3) atom. The Te(1)-Te(1) bond length is 1.28 Å. The Te(1)-Te(3) bond length is 1.61 Å. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ta(1), one Co(2), one Te(2), and two equivalent Te(4) atoms. The Te(2)-Te(2) bond length is 2.11 Å. There is one shorter (1.82 Å) and one longer (1.98 Å) Te(2)-Te(4) bond length. In the third Te site, Te(3) is bonded in a distorted water-like geometry to one Te(1) and one Te(4) atom. The Te(3)-Te(4) bond length is 1.66 Å. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to one Ta(2), one Co(1), one Te(3), and two equivalent Te(2) atoms.