data_BaZn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.29
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Te
_chemical_formula_sum   'Ba1 Zn2 Te1'
_cell_volume   124.47
_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  0.66  0.15  0.19  1.0
  Zn  Zn2  1  0.77  0.15  0.03  1.0
  Zn  Zn3  1  0.48  0.0  0.0  1.0
  Te  Te1  1  0.82  0.0  0.57  1.0

data_BaZn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.31
_cell_length_c   6.72
_cell_angle_alpha   90.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Te
_chemical_formula_sum   'Ba1 Zn2 Te1'
_cell_volume   124.47
_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  0.85  0.34  0.81  1.0
  Zn  Zn1  1  0.0  0.52  1.0  1.0
  Zn  Zn2  1  0.85  0.23  0.97  1.0
  Te  Te3  1  0.0  0.18  0.43  1.0

Ba Zn Zn Te
BaZn2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaZn2Te cluster. Ba(1) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one Te(1) atom. The Ba(1)-Zn(1) bond length is 1.22 Å. The Ba(1)-Zn(2) bond length is 1.64 Å. The Ba(1)-Te(1) bond length is 2.72 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.41 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one Ba(1) and one Zn(1) atom. Te(1) is bonded in a distorted single-bond geometry to one Ba(1) atom.