data_ReTc2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2Te
_chemical_formula_sum   'Re1 Tc2 Te1'
_cell_volume   64.77
_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
  Re  Re0  1  0.59  0.59  0.59  1.0
  Tc  Tc1  1  0.78  0.78  0.78  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.19  0.19  0.19  1.0

data_ReTc2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReTc2Te
_chemical_formula_sum   'Re3 Tc6 Te3'
_cell_volume   194.31
_cell_formula_units_Z   3
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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  -0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.22  1.0
  Re  Re2  3  0.0  0.0  0.41  1.0
  Te  Te3  3  0.0  0.0  0.81  1.0

Re Tc Tc Te
Re Tc Tc Te 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o o o 1 3 o + + 1 3 + o + 1 3 + + o 1 2 + + + 2 3 o o o 
ReTc2Te crystallizes in the trigonal R3m space group. Re(1) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Te(1) atoms. The Re(1)-Tc(1) bond length is 2.07 Å. All Re(1)-Te(1) bond lengths are 2.72 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Re(1), one Tc(2), and three equivalent Te(1) atoms. The Tc(1)-Tc(2) bond length is 2.42 Å. All Tc(1)-Te(1) bond lengths are 2.72 Å. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to one Tc(1) and one Te(1) atom. The Tc(2)-Te(1) bond length is 2.07 Å. Te(1) is bonded in a distorted single-bond geometry to three equivalent Re(1), one Tc(2), and three equivalent Tc(1) atoms.