# generated using pymatgen
data_TiI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95968879
_cell_length_b   8.08152068
_cell_length_c   8.08151931
_cell_angle_alpha   62.46210870
_cell_angle_beta   89.29539480
_cell_angle_gamma   89.29539779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiI4
_chemical_formula_sum   'Ti2 I8'
_cell_volume   403.00487343
_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
  Ti  Ti0  1  0.75000000  0.34262101  0.65737899  1.0
  Ti  Ti1  1  0.25000000  0.65737899  0.34262101  1.0
  I  I2  1  0.92839375  0.49752678  0.28081148  1.0
  I  I3  1  0.57160625  0.71918852  0.50247322  1.0
  I  I4  1  0.07160625  0.50247322  0.71918852  1.0
  I  I5  1  0.42839375  0.28081148  0.49752678  1.0
  I  I6  1  0.60594989  0.26349464  0.98214578  1.0
  I  I7  1  0.89405011  0.01785422  0.73650536  1.0
  I  I8  1  0.39405011  0.73650536  0.01785422  1.0
  I  I9  1  0.10594989  0.98214578  0.26349464  1.0