data_ZnBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   7.47
_cell_angle_alpha   105.99
_cell_angle_beta   105.99
_cell_angle_gamma   57.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBi2Te
_chemical_formula_sum   'Zn1 Bi2 Te1'
_cell_volume   116.57
_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  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.16  0.0  0.45  1.0
  Bi  Bi1  1  0.2  0.0  0.64  1.0
  Te  Te2  1  0.68  0.0  0.54  1.0

data_ZnBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.41
_cell_length_c   7.47
_cell_angle_alpha   105.99
_cell_angle_beta   90.0
_cell_angle_gamma   118.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBi2Te
_chemical_formula_sum   'Zn1 Bi2 Te1'
_cell_volume   116.57
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.8  0.36  1.0
  Bi  Bi2  1  0.0  0.84  0.55  1.0
  Te  Te3  1  0.0  0.32  0.46  1.0

Zn Bi Bi Te