data_Ba2ZnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.26
_cell_angle_alpha   140.34
_cell_angle_beta   140.34
_cell_angle_gamma   57.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnTe
_chemical_formula_sum   'Ba2 Zn1 Te1'
_cell_volume   154.31
_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  0.46  0.0  0.18  1.0
  Ba  Ba1  1  0.0  0.0  0.37  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.46  0.18  1.0

data_Ba2ZnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.26
_cell_angle_alpha   109.83
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnTe
_chemical_formula_sum   'Ba2 Zn1 Te1'
_cell_volume   154.31
_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  0.18  0.72  0.72  1.0
  Ba  Ba1  1  0.37  0.37  0.37  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.72  0.18  0.72  1.0

Ba Ba Zn Te
Ba2ZnTe crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 1-coordinate geometry to one Zn(1) and four equivalent Te(1) atoms. The Ba(1)-Zn(1) bond length is 2.47 Å. There are a spread of Ba(1)-Te(1) bond distances ranging from 3.21-3.75 Å. In the second Ba site, Ba(2) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and two equivalent Te(1) atoms. The Ba(2)-Zn(1) bond length is 2.66 Å. There is one shorter (3.01 Å) and one longer (3.97 Å) Ba(2)-Te(1) bond length. Zn(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Te(1) atom. The Zn(1)-Te(1) bond length is 2.47 Å. Te(1) is bonded in a 7-coordinate geometry to two equivalent Ba(2), four equivalent Ba(1), and one Zn(1) atom.