data_SnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   8.36
_cell_angle_alpha   101.86
_cell_angle_beta   101.86
_cell_angle_gamma   36.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2
_chemical_formula_sum   'Sn2 Te4'
_cell_volume   204.46
_cell_formula_units_Z   2
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  0.6  0.0  0.19  1.0
  Sn  Sn1  1  0.91  0.0  0.98  1.0
  Te  Te2  1  0.52  0.0  0.65  1.0
  Te  Te3  1  0.85  0.0  0.05  1.0
  Te  Te4  1  0.66  0.0  0.11  1.0
  Te  Te5  1  0.99  0.0  0.51  1.0

data_SnTe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.07
_cell_length_b   6.49
_cell_length_c   8.36
_cell_angle_alpha   101.86
_cell_angle_beta   90.0
_cell_angle_gamma   108.27
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnTe2
_chemical_formula_sum   'Sn2 Te4'
_cell_volume   204.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.15  0.39  1.0
  Te  Te1  2  0.0  0.09  0.47  1.0
  Te  Te2  2  0.0  0.24  0.93  1.0

Sn Sn Te Te Te Te