data_TaTeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTeRu2
_chemical_formula_sum   'Ta1 Te1 Ru2'
_cell_volume   70.2
_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  Ta2  1  0.0  0.0  0.5  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.58  0.58  0.98  1.0
  Ru  Ru1  1  0.58  0.58  0.02  1.0

data_TaTeRu2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.0
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TaTeRu2
_chemical_formula_sum   'Ta2 Te2 Ru4'
_cell_volume   140.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.5  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.02  0.0  0.58  1.0

Ta Te Ru Ru
Ta Te Ru Ru 0 3 - - o 0 2 - - o 0 0 + o o 0 0 o + o 0 1 o o o 0 1 o o + 1 2 - - - 1 2 - o - 1 2 o - - 1 3 - - o 1 3 - o o 1 3 o - o 2 3 o o + 
TaRu2Te crystallizes in the monoclinic Cm space group. Ta(1) is bonded to four equivalent Ta(1) and two equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing TaTa4Te2 octahedra. The corner-sharing octahedra are not tilted. All Ta(1)-Ta(1) bond lengths are 3.17 Å. There is one shorter (3.49 Å) and one longer (3.51 Å) Ta(1)-Te(1) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Ru(2) and four equivalent Te(1) atoms. The Ru(1)-Ru(2) bond length is 0.28 Å. There are a spread of Ru(1)-Te(1) bond distances ranging from 1.87-2.61 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Ru(1) and four equivalent Te(1) atoms. There are a spread of Ru(2)-Te(1) bond distances ranging from 1.87-2.61 Å. Te(1) is bonded in a distorted q4 geometry to two equivalent Ta(1), four equivalent Ru(1), and four equivalent Ru(2) atoms.