# generated using pymatgen
data_CsSnI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36120441
_cell_length_b   8.66038717
_cell_length_c   8.66038717
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSnI3
_chemical_formula_sum   'Cs2 Sn2 I6'
_cell_volume   477.10499927
_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
  Cs  Cs0  1  0.00000000  -0.00000000  0.50000000  1.0
  Cs  Cs1  1  0.00000000  0.50000000  0.00000000  1.0
  Sn  Sn2  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn3  1  0.50000000  -0.00000000  0.00000000  1.0
  I  I4  1  0.50000000  0.80658712  0.69341288  1.0
  I  I5  1  0.50000000  0.69341288  0.19341288  1.0
  I  I6  1  0.00000000  0.50000000  0.50000000  1.0
  I  I7  1  0.00000000  -0.00000000  0.00000000  1.0
  I  I8  1  0.50000000  0.19341288  0.30658712  1.0
  I  I9  1  0.50000000  0.30658712  0.80658712  1.0