data_Ba2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   122.08
_cell_angle_beta   122.08
_cell_angle_gamma   86.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TeAs
_chemical_formula_sum   'Ba2 Te1 As1'
_cell_volume   143.49
_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  Ba1  1  0.88  0.0  0.17  1.0
  Ba  Ba2  1  0.0  0.88  0.17  1.0
  Te  Te3  1  0.0  0.0  0.33  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Ba2TeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   133.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2TeAs
_chemical_formula_sum   'Ba4 Te2 As2'
_cell_volume   286.98
_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  4  0.06  0.06  0.29  1.0
  Te  Te1  2  0.0  0.0  0.33  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Ba Ba Te As
Ba2AsTe is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2AsTe clusters. Ba(1) is bonded in a 3-coordinate geometry to one Ba(1), one As(1), and one Te(1) atom. The Ba(1)-Ba(1) bond length is 1.00 Å. The Ba(1)-As(1) bond length is 1.50 Å. The Ba(1)-Te(1) bond length is 0.86 Å. As(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) atoms. Te(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) atoms.