# generated using pymatgen
data_CsTiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26941971
_cell_length_b   8.26949141
_cell_length_c   6.99856540
_cell_angle_alpha   89.99713547
_cell_angle_beta   90.00471957
_cell_angle_gamma   120.07915210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTiI3
_chemical_formula_sum   'Cs2 Ti2 I6'
_cell_volume   414.13939965
_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  0.66641500  0.33358121  0.25004315  1.0
  Cs  Cs1  1  0.33358606  0.66641986  0.74995672  1.0
  Ti  Ti2  1  0.00000119  0.00000111  0.00000050  1.0
  Ti  Ti3  1  0.00000073  0.00000088  0.49999949  1.0
  I  I4  1  0.83685028  0.16328172  0.74993848  1.0
  I  I5  1  0.67465349  0.83715046  0.25009040  1.0
  I  I6  1  0.16315597  0.83672300  0.25006081  1.0
  I  I7  1  0.32534003  0.16284596  0.74991047  1.0
  I  I8  1  0.83715483  0.67477178  0.74999203  1.0
  I  I9  1  0.16284241  0.32522404  0.25000794  1.0