data_TlTeRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTeRu3
_chemical_formula_sum   'Tl1 Te1 Ru3'
_cell_volume   126.42
_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
  Tl  Tl3  1  0.51  0.51  0.51  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.51  0.0  0.51  1.0
  Ru  Ru1  1  0.51  0.51  0.0  1.0
  Ru  Ru2  1  0.0  0.51  0.51  1.0

data_TlTeRu3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlTeRu3
_chemical_formula_sum   'Tl3 Te3 Ru9'
_cell_volume   379.25
_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
  Tl  Tl0  3  0.0  0.0  0.51  1.0
  Te  Te1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  9  0.17  0.34  0.34  1.0

Tl Te Ru Ru Ru
Tl Te Ru Ru Ru 0 4 o o o 0 4 + o o 0 2 o o o 0 2 o + o 0 3 o o o 0 3 o o + 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - o - 1 2 - o o 1 2 o o - 1 2 o o o 1 4 o - - 1 4 o - o 1 4 o o - 1 4 o o o 
Ru3TlTe is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ru(1) is bonded in a linear geometry to two equivalent Tl(1) and four equivalent Te(1) atoms. There is one shorter (2.46 Å) and one longer (2.56 Å) Ru(1)-Tl(1) bond length. There are a spread of Ru(1)-Te(1) bond distances ranging from 3.48-3.62 Å. Tl(1) is bonded to six equivalent Ru(1) atoms to form TlRu6 octahedra that share corners with six equivalent Tl(1)Ru6 octahedra and faces with eight equivalent Te(1)Ru12 cuboctahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to twelve equivalent Ru(1) atoms to form distorted TeRu12 cuboctahedra that share corners with twelve equivalent Te(1)Ru12 cuboctahedra, faces with six equivalent Te(1)Ru12 cuboctahedra, and faces with eight equivalent Tl(1)Ru6 octahedra.