data_Zn4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   8.09
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4Te
_chemical_formula_sum   'Zn16 Te4'
_cell_volume   407.59
_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  Zn4  1  0.95  0.05  0.05  1.0
  Zn  Zn5  1  0.05  0.95  0.05  1.0
  Zn  Zn6  1  0.05  0.05  0.95  1.0
  Zn  Zn7  1  0.62  0.62  0.62  1.0
  Zn  Zn8  1  0.38  0.0  0.0  1.0
  Zn  Zn9  1  0.96  0.0  0.0  1.0
  Zn  Zn10  1  0.0  0.96  0.0  1.0
  Zn  Zn11  1  0.0  0.38  0.0  1.0
  Zn  Zn12  1  0.0  0.0  0.96  1.0
  Zn  Zn13  1  0.0  0.0  0.38  1.0
  Zn  Zn14  1  0.34  0.67  0.0  1.0
  Zn  Zn15  1  0.34  0.0  0.67  1.0
  Zn  Zn16  1  0.67  0.34  0.0  1.0
  Zn  Zn17  1  0.0  0.34  0.67  1.0
  Zn  Zn18  1  0.0  0.67  0.34  1.0
  Zn  Zn19  1  0.67  0.0  0.34  1.0
  Te  Te0  1  0.55  0.45  0.45  1.0
  Te  Te1  1  0.45  0.55  0.45  1.0
  Te  Te2  1  0.45  0.45  0.55  1.0
  Te  Te3  1  0.22  0.22  0.22  1.0

data_Zn4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.21
_cell_length_b   13.21
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4Te
_chemical_formula_sum   'Zn48 Te12'
_cell_volume   1222.77
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  -0.0  0.34  0.34  1.0
  Zn  Zn1  9  0.01  0.03  0.99  1.0
  Zn  Zn2  9  0.03  0.06  0.02  1.0
  Zn  Zn3  9  0.21  0.41  0.79  1.0
  Zn  Zn4  3  0.0  0.0  0.62  1.0
  Te  Te5  9  0.07  0.03  0.48  1.0
  Te  Te6  3  0.0  0.0  0.22  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Te Te Te Te
Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Te Te Te Te 0 5 o o o 0 7 + o o 0 9 + o o 0 19 + o o 1 6 o o o 1 4 o + o 1 9 o + o 1 19 o + o 2 8 o o o 2 4 o o + 2 7 o o + 2 19 o o + 3 17 o o o 3 18 o o o 3 16 o o o 4 6 o - o 4 11 o o - 4 19 o o o 4 8 o o - 4 10 o - o 4 12 o o o 4 15 o o o 5 6 + - o 5 8 + o - 5 7 + o o 5 9 + o o 5 19 + o o 6 8 o + - 6 9 o + o 6 19 o + o 7 12 - o o 7 14 o o o 7 13 o o - 7 19 o o o 7 8 o o - 7 10 o o o 8 19 o o + 9 13 o o o 9 15 - o o 9 14 o - o 9 19 o o o 9 11 o o o 10 13 o o - 10 15 o + o 11 14 o - o 11 12 o o + 12 14 + o o 13 15 - o o 16 18 o o o 16 17 o o o 17 18 o o o 