data_Ba2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   138.62
_cell_angle_beta   138.62
_cell_angle_gamma   59.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TeRu
_chemical_formula_sum   'Ba2 Te1 Ru1'
_cell_volume   135.01
_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  Ba0  1  0.0  0.0  0.88  1.0
  Ba  Ba1  1  0.0  0.4  0.94  1.0
  Te  Te3  1  0.4  0.0  0.94  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Ba2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   6.78
_cell_angle_alpha   110.69
_cell_angle_beta   110.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TeRu
_chemical_formula_sum   'Ba2 Te1 Ru1'
_cell_volume   135.01
_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  Ba0  1  0.12  0.0  0.12  1.0
  Ba  Ba1  1  0.46  0.4  0.46  1.0
  Te  Te2  1  0.06  0.0  0.46  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ba Ba Te Ru
Ba2RuTe crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to one Ba(2), one Ru(1), and one Te(1) atom. The Ba(1)-Ba(2) bond length is 2.39 Å. The Ba(1)-Ru(1) bond length is 0.84 Å. The Ba(1)-Te(1) bond length is 2.39 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ru(1), and four equivalent Te(1) atoms. The Ba(2)-Ru(1) bond length is 3.79 Å. There are a spread of Ba(2)-Te(1) bond distances ranging from 2.69-4.09 Å. Ru(1) is bonded in a single-bond geometry to one Ba(1) and one Ba(2) atom. Te(1) is bonded in a 4-coordinate geometry to one Ba(1) and four equivalent Ba(2) atoms.