data_Tc4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc4Te
_chemical_formula_sum   'Tc16 Te4'
_cell_volume   351.96
_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
  Tc  Tc0  1  0.84  0.84  0.84  1.0
  Tc  Tc1  1  0.39  0.61  0.61  1.0
  Tc  Tc2  1  0.61  0.39  0.61  1.0
  Tc  Tc3  1  0.61  0.61  0.39  1.0
  Tc  Tc4  1  0.0  0.0  0.78  1.0
  Tc  Tc5  1  0.0  0.0  0.11  1.0
  Tc  Tc6  1  0.0  0.78  0.0  1.0
  Tc  Tc7  1  0.0  0.11  0.0  1.0
  Tc  Tc8  1  0.78  0.0  0.0  1.0
  Tc  Tc9  1  0.11  0.0  0.0  1.0
  Tc  Tc10  1  0.45  0.0  0.22  1.0
  Tc  Tc11  1  0.0  0.45  0.22  1.0
  Tc  Tc12  1  0.0  0.22  0.45  1.0
  Tc  Tc13  1  0.45  0.22  0.0  1.0
  Tc  Tc14  1  0.22  0.45  0.0  1.0
  Tc  Tc15  1  0.22  0.0  0.45  1.0
  Te  Te16  1  0.38  0.38  0.38  1.0
  Te  Te17  1  0.93  0.07  0.07  1.0
  Te  Te18  1  0.07  0.93  0.07  1.0
  Te  Te19  1  0.07  0.07  0.93  1.0

data_Tc4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.58
_cell_length_b   12.58
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tc4Te
_chemical_formula_sum   'Tc48 Te12'
_cell_volume   1055.88
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.0  0.22  0.22  1.0
  Tc  Tc1  9  0.07  0.14  0.93  1.0
  Tc  Tc2  9  0.07  0.93  0.54  1.0
  Tc  Tc3  9  0.07  0.04  0.04  1.0
  Tc  Tc4  3  0.0  0.0  0.84  1.0
  Te  Te5  9  0.04  0.09  0.02  1.0
  Te  Te6  3  0.0  0.0  0.38  1.0

Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Te Te Te Te
Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Te Te Te Te 0 17 o + + 0 8 o + + 0 6 + o + 0 19 + + o 0 4 + + o 0 5 + + + 0 9 + + + 0 18 + o + 0 7 + + + 1 16 o o o 1 11 o o o 1 12 o o o 2 16 o o o 2 10 o o o 2 15 o o o 3 16 o o o 3 13 o o o 3 14 o o o 4 19 o o o 4 13 o o + 4 14 o o + 5 17 - o o 5 18 o - o 5 10 o o o 5 11 o o o 5 12 o o o 5 15 o o o 6 18 o o o 6 10 o + o 6 15 o + o 7 17 - o o 7 19 o o - 7 11 o o o 7 12 o o o 7 13 o o o 7 14 o o o 8 17 o o o 8 11 + o o 8 12 + o o 9 18 o - o 9 19 o o - 9 10 o o o 9 13 o o o 9 14 o o o 9 15 o o o 10 18 o - o 10 13 o o o 10 16 o o o 10 15 o o o 11 17 - o o 11 16 o o o 11 12 o o o 11 14 o o o 12 17 - o o 12 15 o o o 12 16 o o o 13 19 o o - 13 16 o o o 13 14 o o o 14 16 o o o 14 19 o o - 15 18 o - o 15 16 o o o 
Tc4Te crystallizes in the trigonal R3m space group. There are five inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 12-coordinate geometry to three equivalent Tc(2), three equivalent Tc(3), three equivalent Tc(4), and three equivalent Te(2) atoms. All Tc(1)-Tc(2) bond lengths are 2.82 Å. All Tc(1)-Tc(3) bond lengths are 1.71 Å. All Tc(1)-Tc(4) bond lengths are 1.73 Å. All Tc(1)-Te(2) bond lengths are 1.70 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Tc(1), two equivalent Tc(5), and one Te(1) atom. Both Tc(2)-Tc(5) bond lengths are 2.91 Å. The Tc(2)-Te(1) bond length is 1.99 Å. In the third Tc site, Tc(3) is bonded in a single-bond geometry to one Tc(1), four equivalent Tc(5), and one Te(2) atom. There are two shorter (2.82 Å) and two longer (3.56 Å) Tc(3)-Tc(5) bond lengths. The Tc(3)-Te(2) bond length is 0.95 Å. In the fourth Tc site, Tc(4) is bonded in a distorted bent 120 degrees geometry to one Tc(1), two equivalent Tc(5), and two equivalent Te(2) atoms. Both Tc(4)-Tc(5) bond lengths are 2.59 Å. Both Tc(4)-Te(2) bond lengths are 0.89 Å. In the fifth Tc site, Tc(5) is bonded in a 10-coordinate geometry to one Tc(2), one Tc(4), two equivalent Tc(3), four equivalent Tc(5), one Te(1), and one Te(2) atom. There are two shorter (2.82 Å) and two longer (3.50 Å) Tc(5)-Tc(5) bond lengths. The Tc(5)-Te(1) bond length is 3.07 Å. The Tc(5)-Te(2) bond length is 2.58 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to three equivalent Tc(2) and six equivalent Tc(5) atoms. In the second Te site, Te(2) is bonded in a distorted trigonal planar geometry to one Tc(1), one Tc(3), two equivalent Tc(4), and two equivalent Tc(5) atoms.