# generated using pymatgen
data_SnI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58387907
_cell_length_b   7.58387907
_cell_length_c   4.61945766
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnI2
_chemical_formula_sum   'Sn2 I4'
_cell_volume   265.68913167
_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  0.00000000  -0.00000000  0.00000000  1.0
  Sn  Sn1  1  0.50000100  0.50000100  0.50000100  1.0
  I  I2  1  0.29597520  0.29597520  -0.00000000  1.0
  I  I3  1  0.70402380  0.70402380  -0.00000000  1.0
  I  I4  1  0.79597720  0.20402280  0.50000100  1.0
  I  I5  1  0.20402280  0.79597720  0.50000100  1.0