# generated using pymatgen
data_SnI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35439720
_cell_length_b   8.35439720
_cell_length_c   8.35439720
_cell_angle_alpha   120.61524559
_cell_angle_beta   120.61524559
_cell_angle_gamma   88.93762623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnI3
_chemical_formula_sum   'Sn2 I6'
_cell_volume   408.40571754
_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  0.50000000  0.50000000  0.00000000  1.0
  I  I2  1  0.32404500  0.17595500  0.50000000  1.0
  I  I3  1  0.67595500  0.82404500  0.50000000  1.0
  I  I4  1  0.82404500  0.32404500  0.14808900  1.0
  I  I5  1  0.17595500  0.67595500  0.85191100  1.0
  I  I6  1  0.75000000  0.75000000  0.00000000  1.0
  I  I7  1  0.25000000  0.25000000  0.00000000  1.0