data_ZnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24
_cell_length_b   8.24
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe3
_chemical_formula_sum   'Zn4 Te12'
_cell_volume   457.5
_cell_formula_units_Z   4
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  Zn12  1  0.0  0.0  0.89  1.0
  Zn  Zn13  1  0.0  0.0  0.0  1.0
  Zn  Zn14  1  0.12  0.38  0.83  1.0
  Zn  Zn15  1  0.0  0.76  0.94  1.0
  Te  Te0  1  0.94  0.57  0.89  1.0
  Te  Te1  1  0.94  0.57  0.0  1.0
  Te  Te2  1  0.06  0.57  0.89  1.0
  Te  Te3  1  0.12  0.0  0.89  1.0
  Te  Te4  1  0.12  0.0  0.0  1.0
  Te  Te5  1  0.06  0.57  0.0  1.0
  Te  Te6  1  0.16  0.01  0.83  1.0
  Te  Te7  1  0.96  0.13  0.94  1.0
  Te  Te8  1  0.84  0.01  0.83  1.0
  Te  Te9  1  0.0  0.26  0.83  1.0
  Te  Te10  1  0.12  0.88  0.94  1.0
  Te  Te11  1  0.29  0.13  0.94  1.0

data_ZnTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.78
_cell_length_b   8.24
_cell_length_c   8.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe3
_chemical_formula_sum   'Zn4 Te12'
_cell_volume   457.5
_cell_formula_units_Z   4
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
  Zn  Zn1  1  0.83  0.12  0.38  1.0
  Zn  Zn2  1  0.89  0.0  0.0  1.0
  Zn  Zn3  1  0.94  0.0  0.76  1.0
  Te  Te4  1  0.0  0.06  0.57  1.0
  Te  Te5  1  0.0  0.12  0.0  1.0
  Te  Te6  1  0.0  0.94  0.57  1.0
  Te  Te7  1  0.83  0.0  0.26  1.0
  Te  Te8  1  0.83  0.16  0.01  1.0
  Te  Te9  1  0.83  0.84  0.01  1.0
  Te  Te10  1  0.89  0.06  0.57  1.0
  Te  Te11  1  0.89  0.12  0.0  1.0
  Te  Te12  1  0.89  0.94  0.57  1.0
  Te  Te13  1  0.94  0.12  0.88  1.0
  Te  Te14  1  0.94  0.29  0.13  1.0
  Te  Te15  1  0.94  0.96  0.13  1.0

Zn Zn Zn Zn Te Te Te Te Te Te Te Te Te Te Te Te
Zn Zn Zn Zn Te Te Te Te Te Te Te Te Te Te Te Te 0 1 o o + 0 7 o o o 0 11 - o o 0 12 - o o 1 8 o o o 1 11 - o - 2 13 o o o 3 14 o o o 4 6 + o o 4 5 o o + 5 9 + o o 6 9 o o + 7 10 o o o 7 8 o o + 7 14 o - o 7 15 o o o 8 14 o - - 8 15 o o - 10 15 o o o 11 12 o o o 11 13 + o o 