data_Ba2ZnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   5.19
_cell_angle_alpha   90.57
_cell_angle_beta   90.57
_cell_angle_gamma   40.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnTe
_chemical_formula_sum   'Ba2 Zn1 Te1'
_cell_volume   158.05
_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  0.0  0.64  1.0
  Ba  Ba1  1  0.63  0.0  0.24  1.0
  Zn  Zn3  1  0.52  0.0  0.67  1.0
  Te  Te2  1  0.03  0.0  0.23  1.0

data_Ba2ZnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   5.19
_cell_length_c   6.88
_cell_angle_alpha   90.57
_cell_angle_beta   110.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnTe
_chemical_formula_sum   'Ba2 Zn1 Te1'
_cell_volume   158.05
_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  0.24  0.63  1.0
  Ba  Ba1  1  0.0  0.64  0.13  1.0
  Zn  Zn2  1  0.0  0.67  0.52  1.0
  Te  Te3  1  0.0  0.23  0.03  1.0

Ba Ba Zn Te