data_BaBiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   134.64
_cell_angle_beta   134.64
_cell_angle_gamma   66.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiTe
_chemical_formula_sum   'Ba1 Bi1 Te1'
_cell_volume   117.2
_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  0.34  1.0
  Bi  Bi1  1  0.0  0.0  0.63  1.0
  Te  Te2  1  0.0  0.0  0.72  1.0

data_BaBiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   123.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaBiTe
_chemical_formula_sum   'Ba2 Bi2 Te2'
_cell_volume   234.39
_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  0.34  1.0
  Bi  Bi1  2  0.0  0.0  0.63  1.0
  Te  Te2  2  0.0  0.0  0.72  1.0

Ba Bi Te
Ba Bi Te 0 1 o o o 1 2 o o o 
BaBiTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaBiTe clusters. Ba(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Ba(1)-Bi(1) bond length is 1.82 Å. Bi(1) is bonded in a linear geometry to one Ba(1) and one Te(1) atom. The Bi(1)-Te(1) bond length is 0.55 Å. Te(1) is bonded in a distorted single-bond geometry to one Bi(1) atom.