data_BaTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   139.43
_cell_angle_beta   123.79
_cell_angle_gamma   71.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTeAs2
_chemical_formula_sum   'Ba1 Te1 As2'
_cell_volume   114.52
_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  Ba2  1  0.0  0.0  0.87  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.83  0.79  1.0
  As  As1  1  0.08  0.0  0.08  1.0

data_BaTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   5.65
_cell_length_c   6.0
_cell_angle_alpha   118.11
_cell_angle_beta   110.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTeAs2
_chemical_formula_sum   'Ba1 Te1 As2'
_cell_volume   114.52
_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  0.13  0.13  0.13  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.92  0.0  1.0
  As  As3  1  0.21  0.04  0.04  1.0

Ba Te As As
Ba Te As As 0 2 o - o 0 1 o o + 1 3 o o o 1 2 o - - 
BaAs2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaAs2Te cluster. Ba(1) is bonded in a 2-coordinate geometry to one As(1) and one Te(1) atom. The Ba(1)-As(1) bond length is 0.74 Å. The Ba(1)-Te(1) bond length is 0.80 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Te(1) atom. The As(2)-Te(1) bond length is 0.45 Å. Te(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one As(2) atom.