data_Zn2BTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   143.0
_cell_angle_beta   105.71
_cell_angle_gamma   86.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BTe
_chemical_formula_sum   'Zn2 B1 Te1'
_cell_volume   82.3
_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
  Zn  Zn2  1  0.0  0.0  0.22  1.0
  Zn  Zn3  1  0.67  0.0  0.24  1.0
  B  B0  1  0.0  0.0  0.8  1.0
  Te  Te1  1  0.0  0.19  0.45  1.0

data_Zn2BTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   74.29
_cell_angle_beta   71.5
_cell_angle_gamma   71.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BTe
_chemical_formula_sum   'Zn2 B1 Te1'
_cell_volume   82.3
_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
  Zn  Zn0  1  0.0  0.0  0.22  1.0
  Zn  Zn1  1  0.0  0.33  0.24  1.0
  B  B2  1  0.0  0.0  0.8  1.0
  Te  Te3  1  0.19  0.0  0.26  1.0

Zn Zn B Te