data_SnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08
_cell_length_b   8.08
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe3
_chemical_formula_sum   'Sn2 Te6'
_cell_volume   277.54
_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  0.25  0.9  0.19  1.0
  Sn  Sn1  1  0.25  0.1  0.56  1.0
  Te  Te2  1  0.25  0.18  0.56  1.0
  Te  Te3  1  0.25  0.82  0.19  1.0
  Te  Te4  1  0.81  0.51  0.56  1.0
  Te  Te5  1  0.69  0.49  0.19  1.0
  Te  Te6  1  0.69  0.51  0.56  1.0
  Te  Te7  1  0.81  0.49  0.19  1.0

data_SnTe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.75
_cell_length_b   8.08
_cell_length_c   8.08
_cell_angle_alpha   116.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnTe3
_chemical_formula_sum   'Sn2 Te6'
_cell_volume   277.54
_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  0.19  0.0  0.1  1.0
  Te  Te1  2  0.19  0.0  0.18  1.0
  Te  Te2  2  0.19  0.44  0.51  1.0
  Te  Te3  2  0.19  0.56  0.51  1.0

Sn Sn Te Te Te Te Te Te