data_TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu
_chemical_formula_sum   'Te4 Ru4'
_cell_volume   235.36
_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
  Te  Te4  1  0.0  0.0  0.93  1.0
  Te  Te5  1  0.0  0.0  0.8  1.0
  Te  Te6  1  0.41  0.39  0.8  1.0
  Te  Te7  1  0.0  0.78  0.93  1.0
  Ru  Ru0  1  0.41  0.39  0.32  1.0
  Ru  Ru1  1  0.0  0.78  0.19  1.0
  Ru  Ru2  1  0.0  0.78  0.41  1.0
  Ru  Ru3  1  0.41  0.39  0.54  1.0

data_TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu
_chemical_formula_sum   'Te4 Ru4'
_cell_volume   235.36
_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
  Te  Te0  1  -0.0  0.78  0.93  1.0
  Te  Te1  1  0.0  0.0  0.8  1.0
  Te  Te2  1  0.0  0.0  0.93  1.0
  Te  Te3  1  0.41  0.39  0.8  1.0
  Ru  Ru4  1  -0.0  0.78  0.19  1.0
  Ru  Ru5  1  -0.0  0.78  0.41  1.0
  Ru  Ru6  1  0.41  0.39  0.32  1.0
  Ru  Ru7  1  0.41  0.39  0.54  1.0

Te Te Te Te Ru Ru Ru Ru
RuTe crystallizes in the triclinic P1 space group. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to one Ru(4), two equivalent Ru(2), and three equivalent Ru(3) atoms. The Ru(1)-Ru(4) bond length is 2.57 Å. There is one shorter (2.97 Å) and one longer (3.04 Å) Ru(1)-Ru(2) bond length. There are a spread of Ru(1)-Ru(3) bond distances ranging from 2.70-3.46 Å. In the second Ru site, Ru(2) is bonded to one Ru(3), two equivalent Ru(1), one Te(1), and one Te(4) atom to form distorted corner-sharing RuTe2Ru3 trigonal bipyramids. The Ru(2)-Ru(3) bond length is 2.57 Å. The Ru(2)-Te(1) bond length is 3.18 Å. The Ru(2)-Te(4) bond length is 3.00 Å. In the third Ru site, Ru(3) is bonded in a 6-coordinate geometry to one Ru(2), two equivalent Ru(4), and three equivalent Ru(1) atoms. There is one shorter (2.97 Å) and one longer (3.04 Å) Ru(3)-Ru(4) bond length. In the fourth Ru site, Ru(4) is bonded in a 4-coordinate geometry to one Ru(1), two equivalent Ru(3), and one Te(3) atom. The Ru(4)-Te(3) bond length is 3.00 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted L-shaped geometry to one Ru(2), one Te(2), one Te(3), and one Te(4) atom. The Te(1)-Te(2) bond length is 1.58 Å. The Te(1)-Te(3) bond length is 2.49 Å. The Te(1)-Te(4) bond length is 1.06 Å. In the second Te site, Te(2) is bonded in a 2-coordinate geometry to one Te(1) and two equivalent Te(3) atoms. There is one shorter (1.92 Å) and one longer (2.90 Å) Te(2)-Te(3) bond length. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Ru(4), one Te(1), one Te(4), and two equivalent Te(2) atoms. The Te(3)-Te(4) bond length is 2.97 Å. In the fourth Te site, Te(4) is bonded in a single-bond geometry to one Ru(2), one Te(1), and one Te(3) atom.