data_SnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35
_cell_length_b   10.35
_cell_length_c   10.35
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2
_chemical_formula_sum   'Sn8 Te16'
_cell_volume   784.63
_cell_formula_units_Z   8
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
  Sn  Sn0  1  0.31  0.31  0.33  1.0
  Sn  Sn1  1  0.33  0.33  0.33  1.0
  Sn  Sn2  1  0.31  0.33  0.31  1.0
  Sn  Sn3  1  0.33  0.31  0.31  1.0
  Sn  Sn4  1  0.99  0.99  0.97  1.0
  Sn  Sn5  1  0.97  0.97  0.97  1.0
  Sn  Sn6  1  0.99  0.97  0.99  1.0
  Sn  Sn7  1  0.97  0.99  0.99  1.0
  Te  Te8  1  0.83  0.49  0.49  1.0
  Te  Te9  1  0.49  0.83  0.49  1.0
  Te  Te10  1  0.83  0.83  0.83  1.0
  Te  Te11  1  0.49  0.49  0.83  1.0
  Te  Te12  1  0.98  0.98  0.85  1.0
  Te  Te13  1  0.11  0.98  0.98  1.0
  Te  Te14  1  0.98  0.11  0.98  1.0
  Te  Te15  1  0.98  0.85  0.98  1.0
  Te  Te16  1  0.85  0.98  0.98  1.0
  Te  Te17  1  0.98  0.98  0.11  1.0
  Te  Te18  1  0.32  0.32  0.45  1.0
  Te  Te19  1  0.19  0.32  0.32  1.0
  Te  Te20  1  0.32  0.19  0.32  1.0
  Te  Te21  1  0.32  0.45  0.32  1.0
  Te  Te22  1  0.45  0.32  0.32  1.0
  Te  Te23  1  0.32  0.32  0.19  1.0

data_SnTe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.35
_cell_length_b   10.35
_cell_length_c   25.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnTe2
_chemical_formula_sum   'Sn24 Te48'
_cell_volume   2353.88
_cell_formula_units_Z   24
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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sn  Sn0  9  0.01  0.02  0.68  1.0
  Sn  Sn1  9  0.02  0.01  0.01  1.0
  Sn  Sn2  3  0.0  0.0  0.03  1.0
  Sn  Sn3  3  0.0  0.0  0.67  1.0
  Te  Te4  9  0.04  0.09  0.98  1.0
  Te  Te5  9  0.04  0.09  0.64  1.0
  Te  Te6  9  0.09  0.04  0.72  1.0
  Te  Te7  9  0.09  0.04  0.06  1.0
  Te  Te8  9  0.11  0.55  0.06  1.0
  Te  Te9  3  0.0  0.0  0.17  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te