data_SnI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnI2
_chemical_formula_sum   'Sn2 I4'
_cell_volume   267.41
_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  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.77  0.77  0.36  1.0
  I  I0  1  0.24  0.24  0.0  1.0
  I  I1  1  0.29  0.29  0.0  1.0
  I  I2  1  0.01  0.52  0.36  1.0
  I  I3  1  0.52  0.01  0.36  1.0

data_SnI2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   10.65
_cell_length_b   10.65
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnI2
_chemical_formula_sum   'Sn4 I8'
_cell_volume   534.82
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Sn  Sn1  2  0.27  0.5  0.36  1.0
  I  I2  4  0.27  0.26  0.36  1.0
  I  I3  2  0.24  0.0  -0.0  1.0
  I  I4  2  0.29  0.0  -0.0  1.0

Sn Sn I I I I
Sn Sn I I I I 0 1 - - o 0 2 o o o 0 3 o o o 1 5 o + o 1 4 + o o 2 3 o o o 