data_BaTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.56
_cell_angle_alpha   99.15
_cell_angle_beta   99.15
_cell_angle_gamma   38.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Re
_chemical_formula_sum   'Ba1 Ta2 Re1'
_cell_volume   105.89
_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  0.37  0.0  0.26  1.0
  Ta  Ta2  1  0.52  0.0  0.38  1.0
  Ta  Ta3  1  0.89  0.0  0.88  1.0
  Re  Re1  1  0.73  0.0  0.64  1.0

data_BaTa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.14
_cell_length_c   6.56
_cell_angle_alpha   99.15
_cell_angle_beta   90.0
_cell_angle_gamma   109.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Re
_chemical_formula_sum   'Ba1 Ta2 Re1'
_cell_volume   105.89
_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  0.63  0.74  1.0
  Ta  Ta1  1  0.0  0.11  0.12  1.0
  Ta  Ta2  1  0.0  0.48  0.62  1.0
  Re  Re3  1  0.0  0.27  0.36  1.0

Ba Ta Ta Re
BaTa2Re crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaTa2Re cluster. Ba(1) is bonded in a single-bond geometry to one Ta(1) atom. The Ba(1)-Ta(1) bond length is 1.00 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted linear geometry to one Ba(1) and one Re(1) atom. The Ta(1)-Re(1) bond length is 1.88 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Re(1) atom. The Ta(2)-Re(1) bond length is 1.64 Å. Re(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom.