data_BaTa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Te
_chemical_formula_sum   'Ba1 Ta2 Te1'
_cell_volume   104.88
_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  0.77  1.0
  Ta  Ta1  1  0.86  0.86  0.26  1.0
  Ta  Ta2  1  0.86  0.86  0.28  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaTa2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTa2Te
_chemical_formula_sum   'Ba2 Ta4 Te2'
_cell_volume   209.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.77  1.0
  Ta  Ta1  2  0.36  0.5  0.26  1.0
  Ta  Ta2  2  0.36  0.5  0.28  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Ba Ta Ta Te
BaTa2Te crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaTa2Te clusters. Ba(1) is bonded in a single-bond geometry to one Te(1) atom. The Ba(1)-Te(1) bond length is 1.74 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a bent 150 degrees geometry to one Ta(2) and one Te(1) atom. The Ta(1)-Ta(2) bond length is 0.16 Å. The Ta(1)-Te(1) bond length is 2.08 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Ta(1) atom. Te(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Ta(1) atom.