data_BaTeRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTeRu3
_chemical_formula_sum   'Ba1 Te1 Ru3'
_cell_volume   121.24
_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
  Ba  Ba4  1  0.47  0.47  0.47  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.0  0.47  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.47  1.0
  Ru  Ru2  1  0.47  0.0  0.0  1.0

data_BaTeRu3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaTeRu3
_chemical_formula_sum   'Ba3 Te3 Ru9'
_cell_volume   363.73
_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
  Ba  Ba0  3  0.0  0.0  0.47  1.0
  Te  Te1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  9  0.18  0.35  0.82  1.0

Ba Te Ru Ru Ru
Ba Te Ru Ru Ru 0 1 o o o 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o o 0 2 o o + 0 2 + o o 0 2 + o + 0 4 o o o 0 4 o o + 0 4 o + o 0 4 o + + 1 4 - o o 1 4 o o o 1 2 o - o 1 2 o o o 1 3 o o - 1 3 o o o 
BaRu3Te is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded to twelve equivalent Ru(1) atoms to form BaRu12 cuboctahedra that share corners with twelve equivalent Ba(1)Ru12 cuboctahedra, faces with six equivalent Ba(1)Ru12 cuboctahedra, and faces with eight equivalent Te(1)Ru6 octahedra. There are a spread of Ba(1)-Ru(1) bond distances ranging from 3.32-3.68 Å. Ru(1) is bonded to four equivalent Ba(1) and two equivalent Te(1) atoms to form a mixture of distorted face, corner, and edge-sharing RuBa4Te2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. There is one shorter (2.35 Å) and one longer (2.60 Å) Ru(1)-Te(1) bond length. Te(1) is bonded to six equivalent Ru(1) atoms to form TeRu6 octahedra that share corners with six equivalent Te(1)Ru6 octahedra and faces with eight equivalent Ba(1)Ru12 cuboctahedra. The corner-sharing octahedra are not tilted.