data_BaTa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Ti
_chemical_formula_sum   'Ba1 Ta2 Ti1'
_cell_volume   92.9
_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  0.81  0.0  0.59  1.0
  Ta  Ta1  1  0.0  0.0  0.96  1.0
  Ta  Ta2  1  0.81  0.0  0.83  1.0
  Ti  Ti3  1  0.0  0.0  0.78  1.0

data_BaTa2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Ti
_chemical_formula_sum   'Ba1 Ta2 Ti1'
_cell_volume   92.9
_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  0.81  0.0  0.59  1.0
  Ta  Ta1  1  0.0  0.0  0.96  1.0
  Ta  Ta2  1  0.81  0.0  0.83  1.0
  Ti  Ti3  1  0.0  0.0  0.78  1.0

Ba Ta Ta Ti
BaTiTa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaTiTa2 cluster. Ba(1) is bonded in a single-bond geometry to one Ti(1) atom. The Ba(1)-Ti(1) bond length is 2.03 Å. Ti(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Ta(2) atom. The Ti(1)-Ta(2) bond length is 0.83 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Ta(2) atom. The Ta(1)-Ta(2) bond length is 1.40 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Ti(1) and one Ta(1) atom.