# generated using pymatgen
data_I3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88515600
_cell_length_b   7.69054000
_cell_length_c   13.81376706
_cell_angle_alpha   56.53709270
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   I3O8
_chemical_formula_sum   'I12 O32'
_cell_volume   698.83042862
_cell_formula_units_Z   4
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
  I  I0  1  0.76947700  0.33278500  0.90709500  1.0
  I  I1  1  0.73052300  0.33278500  0.40709500  1.0
  I  I2  1  0.23052300  0.66721500  0.09290500  1.0
  I  I3  1  0.26947700  0.66721500  0.59290500  1.0
  I  I4  1  0.26210300  0.44336100  0.89610200  1.0
  I  I5  1  0.23789700  0.44336100  0.39610200  1.0
  I  I6  1  0.73789700  0.55663900  0.10389800  1.0
  I  I7  1  0.76210300  0.55663900  0.60389800  1.0
  I  I8  1  0.95466500  0.94303800  0.81183000  1.0
  I  I9  1  0.54533500  0.94303800  0.31183000  1.0
  I  I10  1  0.04533500  0.05696200  0.18817000  1.0
  I  I11  1  0.45466500  0.05696200  0.68817000  1.0
  O  O12  1  0.70678500  0.51612500  0.94750600  1.0
  O  O13  1  0.79321500  0.51612500  0.44750600  1.0
  O  O14  1  0.29321500  0.48387500  0.05249400  1.0
  O  O15  1  0.20678500  0.48387500  0.55249400  1.0
  O  O16  1  0.56410800  0.22380900  0.91728400  1.0
  O  O17  1  0.93589200  0.22380900  0.41728400  1.0
  O  O18  1  0.43589200  0.77619100  0.08271600  1.0
  O  O19  1  0.06410800  0.77619100  0.58271600  1.0
  O  O20  1  0.17683500  0.18279200  0.99107700  1.0
  O  O21  1  0.32316500  0.18279200  0.49107700  1.0
  O  O22  1  0.82316500  0.81720800  0.00892300  1.0
  O  O23  1  0.67683500  0.81720800  0.50892300  1.0
  O  O24  1  0.05589800  0.57666500  0.86395200  1.0
  O  O25  1  0.44410200  0.57666500  0.36395200  1.0
  O  O26  1  0.94410200  0.42333500  0.13604800  1.0
  O  O27  1  0.55589800  0.42333500  0.63604800  1.0
  O  O28  1  0.25275100  0.42447900  0.75896800  1.0
  O  O29  1  0.24724900  0.42447900  0.25896800  1.0
  O  O30  1  0.74724900  0.57552100  0.24103200  1.0
  O  O31  1  0.75275100  0.57552100  0.74103200  1.0
  O  O32  1  0.54963700  0.92816900  0.83297800  1.0
  O  O33  1  0.95036300  0.92816900  0.33297800  1.0
  O  O34  1  0.45036300  0.07183100  0.16702200  1.0
  O  O35  1  0.04963700  0.07183100  0.66702200  1.0
  O  O36  1  0.15520200  0.91327900  0.88959200  1.0
  O  O37  1  0.34479800  0.91327900  0.38959200  1.0
  O  O38  1  0.84479800  0.08672100  0.11040800  1.0
  O  O39  1  0.65520200  0.08672100  0.61040800  1.0
  O  O40  1  0.88754800  0.20097000  0.78521000  1.0
  O  O41  1  0.61245200  0.20097000  0.28521000  1.0
  O  O42  1  0.11245200  0.79903000  0.21479000  1.0
  O  O43  1  0.38754800  0.79903000  0.71479000  1.0