# generated using pymatgen
data_Si216I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.40618400
_cell_length_b   16.40618400
_cell_length_c   16.40618400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si216I
_chemical_formula_sum   'Si216 I1'
_cell_volume   4415.93562766
_cell_formula_units_Z   1
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
  Si  Si1  1  0.295103  0.293674  0.122407  1
  Si  Si2  1  0.250030  0.250904  0.417294  1
  Si  Si3  1  0.249484  0.249748  0.748899  1
  Si  Si4  1  0.250031  0.584176  0.084061  1
  Si  Si5  1  0.250509  0.587327  0.420531  1
  Si  Si6  1  0.249515  0.583359  0.750215  1
  Si  Si7  1  0.248971  0.916231  0.082966  1
  Si  Si8  1  0.249493  0.917867  0.415703  1
  Si  Si9  1  0.249426  0.913247  0.746353  1
  Si  Si10  1  0.583726  0.250702  0.083866  1
  Si  Si11  1  0.585820  0.251133  0.419516  1
  Si  Si12  1  0.582896  0.250269  0.749956  1
  Si  Si13  1  0.584930  0.585371  0.084310  1
  Si  Si14  1  0.583300  0.584151  0.417239  1
  Si  Si15  1  0.583010  0.583701  0.750694  1
  Si  Si16  1  0.582626  0.917105  0.083504  1
  Si  Si17  1  0.582700  0.917353  0.416862  1
  Si  Si18  1  0.582000  0.916513  0.749806  1
  Si  Si19  1  0.916120  0.249007  0.083041  1
  Si  Si20  1  0.916027  0.250265  0.416904  1
  Si  Si21  1  0.910883  0.250400  0.744890  1
  Si  Si22  1  0.916754  0.582925  0.083705  1
  Si  Si23  1  0.916536  0.583696  0.416918  1
  Si  Si24  1  0.916236  0.582506  0.750247  1
  Si  Si25  1  0.909789  0.910715  0.084032  1
  Si  Si26  1  0.916163  0.916667  0.416116  1
  Si  Si27  1  0.915651  0.916125  0.749326  1
  Si  Si28  1  0.988522  0.989775  0.995943  1
  Si  Si29  1  0.999418  0.000343  0.332856  1
  Si  Si30  1  0.998779  0.999039  0.665190  1
  Si  Si31  1  0.001973  0.330478  0.000440  1
  Si  Si32  1  0.999539  0.333894  0.334114  1
  Si  Si33  1  0.999138  0.333218  0.666302  1
  Si  Si34  1  0.999492  0.666357  0.000045  1
  Si  Si35  1  0.999456  0.667068  0.333363  1
  Si  Si36  1  0.999051  0.665910  0.666551  1
  Si  Si37  1  0.332654  0.000218  0.001124  1
  Si  Si38  1  0.331997  0.001910  0.331610  1
  Si  Si39  1  0.332498  0.000085  0.666343  1
  Si  Si40  1  0.341486  0.341682  0.997416  1
  Si  Si41  1  0.335213  0.334955  0.336595  1
  Si  Si42  1  0.333208  0.333604  0.666601  1
  Si  Si43  1  0.333039  0.667096  0.000178  1
  Si  Si44  1  0.333190  0.668102  0.334089  1
  Si  Si45  1  0.332657  0.667282  0.667103  1
  Si  Si46  1  0.665901  0.999845  0.999767  1
  Si  Si47  1  0.666251  0.000112  0.333421  1
  Si  Si48  1  0.665009  0.999549  0.665925  1
  Si  Si49  1  0.666780  0.333701  0.000126  1
  Si  Si50  1  0.667288  0.333922  0.333896  1
  Si  Si51  1  0.666605  0.333533  0.667200  1
  Si  Si52  1  0.666546  0.666503  0.999751  1
  Si  Si53  1  0.666376  0.667273  0.333478  1
  Si  Si54  1  0.666009  0.666729  0.666730  1
  Si  Si55  1  0.249112  0.086512  0.247609  1
  Si  Si56  1  0.249430  0.083374  0.582859  1
  Si  Si57  1  0.252525  0.075381  0.908355  1
  Si  Si58  1  0.253798  0.427381  0.261172  1
  Si  Si59  1  0.249733  0.417114  0.583755  1
  Si  Si60  1  0.248534  0.416614  0.917244  1
  Si  Si61  1  0.249623  0.750668  0.250167  1
  Si  Si62  1  0.249859  0.750563  0.583136  1
  Si  Si63  1  0.249413  0.749892  0.916579  1
  Si  Si64  1  0.583376  0.083803  0.250463  1
  Si  Si65  1  0.582384  0.083518  0.582919  1
  Si  Si66  1  0.583053  0.083368  0.916272  1
  Si  Si67  1  0.584422  0.418028  0.250927  1
  Si  Si68  1  0.583606  0.417448  0.584568  1
  Si  Si69  1  0.583326  0.417062  0.917085  1
  Si  Si70  1  0.583107  0.751164  0.250572  1
  Si  Si71  1  0.582813  0.750386  0.583569  1
  Si  Si72  1  0.582591  0.749659  0.916845  1
  Si  Si73  1  0.915543  0.083236  0.249979  1
  Si  Si74  1  0.915796  0.083126  0.582265  1
  Si  Si75  1  0.912946  0.082014  0.914411  1
  Si  Si76  1  0.916664  0.416805  0.250269  1
  Si  Si77  1  0.916186  0.416959  0.583444  1
  Si  Si78  1  0.917912  0.415083  0.917627  1
  Si  Si79  1  0.916259  0.750076  0.250159  1
  Si  Si80  1  0.916132  0.749752  0.583210  1
  Si  Si81  1  0.915631  0.748907  0.916420  1
  Si  Si82  1  0.999063  0.165503  0.166063  1
  Si  Si83  1  0.999515  0.166759  0.499599  1
  Si  Si84  1  0.991186  0.164785  0.825033  1
  Si  Si85  1  0.000497  0.499509  0.166977  1
  Si  Si86  1  0.999324  0.500338  0.500582  1
  Si  Si87  1  0.999775  0.499226  0.833886  1
  Si  Si88  1  0.999093  0.833063  0.166477  1
  Si  Si89  1  0.999056  0.833090  0.499394  1
  Si  Si90  1  0.998590  0.831632  0.832050  1
  Si  Si91  1  0.344352  0.169149  0.175738  1
  Si  Si92  1  0.333057  0.167044  0.500212  1
  Si  Si93  1  0.332871  0.167366  0.832553  1
  Si  Si94  1  0.334535  0.502555  0.167994  1
  Si  Si95  1  0.333362  0.501261  0.501546  1
  Si  Si96  1  0.332448  0.499602  0.833774  1
  Si  Si97  1  0.332902  0.833763  0.166662  1
  Si  Si98  1  0.332553  0.834374  0.499601  1
  Si  Si99  1  0.332520  0.833561  0.833516  1
  Si  Si100  1  0.666641  0.166857  0.166967  1
  Si  Si101  1  0.666970  0.166524  0.500870  1
  Si  Si102  1  0.666101  0.166716  0.832918  1
  Si  Si103  1  0.667492  0.500754  0.167074  1
  Si  Si104  1  0.666468  0.500379  0.500364  1
  Si  Si105  1  0.666406  0.500058  0.833593  1
  Si  Si106  1  0.666066  0.833659  0.166698  1
  Si  Si107  1  0.665916  0.833552  0.499882  1
  Si  Si108  1  0.665164  0.832731  0.832819  1
  Si  Si109  1  0.083432  0.251661  0.250577  1
  Si  Si110  1  0.082634  0.250181  0.583016  1
  Si  Si111  1  0.073676  0.247632  0.905146  1
  Si  Si112  1  0.083110  0.584038  0.250581  1
  Si  Si113  1  0.082923  0.583406  0.583646  1
  Si  Si114  1  0.082904  0.583163  0.916787  1
  Si  Si115  1  0.082703  0.917672  0.248994  1
  Si  Si116  1  0.082570  0.916303  0.582081  1
  Si  Si117  1  0.081630  0.914561  0.915144  1
  Si  Si118  1  0.424422  0.252166  0.258172  1
  Si  Si119  1  0.416533  0.250353  0.583464  1
  Si  Si120  1  0.417176  0.249729  0.916889  1
  Si  Si121  1  0.417563  0.585441  0.251067  1
  Si  Si122  1  0.416688  0.584268  0.584484  1
  Si  Si123  1  0.416093  0.583439  0.917090  1
  Si  Si124  1  0.415778  0.917741  0.249780  1
  Si  Si125  1  0.415955  0.917058  0.583234  1
  Si  Si126  1  0.415973  0.917279  0.917121  1
  Si  Si127  1  0.749955  0.250378  0.250114  1
  Si  Si128  1  0.748599  0.250518  0.582546  1
  Si  Si129  1  0.749323  0.249993  0.916444  1
  Si  Si130  1  0.750203  0.584000  0.250529  1
  Si  Si131  1  0.749644  0.583548  0.583637  1
  Si  Si132  1  0.750058  0.582700  0.917023  1
  Si  Si133  1  0.749117  0.916768  0.250262  1
  Si  Si134  1  0.749245  0.916660  0.583052  1
  Si  Si135  1  0.748108  0.915708  0.916158  1
  Si  Si136  1  0.165355  0.000713  0.164122  1
  Si  Si137  1  0.165942  0.000388  0.499339  1
  Si  Si138  1  0.165273  0.994876  0.828115  1
  Si  Si139  1  0.169054  0.348224  0.181089  1
  Si  Si140  1  0.166310  0.333887  0.500469  1
  Si  Si141  1  0.166259  0.331553  0.833042  1
  Si  Si142  1  0.166233  0.667213  0.167099  1
  Si  Si143  1  0.165802  0.668652  0.501694  1
  Si  Si144  1  0.166061  0.666511  0.833337  1
  Si  Si145  1  0.499264  0.000965  0.166738  1
  Si  Si146  1  0.498850  0.000225  0.499906  1
  Si  Si147  1  0.499097  0.000279  0.833400  1
  Si  Si148  1  0.501517  0.334640  0.167862  1
  Si  Si149  1  0.500854  0.334008  0.501570  1
  Si  Si150  1  0.499778  0.333555  0.833555  1
  Si  Si151  1  0.500424  0.668100  0.167085  1
  Si  Si152  1  0.499517  0.667322  0.500328  1
  Si  Si153  1  0.499056  0.666731  0.833561  1
  Si  Si154  1  0.831880  0.999639  0.166668  1
  Si  Si155  1  0.832612  0.999677  0.499382  1
  Si  Si156  1  0.830428  0.998725  0.831627  1
  Si  Si157  1  0.833625  0.333242  0.166711  1
  Si  Si158  1  0.832866  0.333548  0.500200  1
  Si  Si159  1  0.832912  0.333236  0.833558  1
  Si  Si160  1  0.833218  0.666637  0.166690  1
  Si  Si161  1  0.832757  0.666756  0.500015  1
  Si  Si162  1  0.832616  0.665860  0.833072  1
  Si  Si163  1  0.068761  0.069121  0.080360  1
  Si  Si164  1  0.082908  0.083896  0.415909  1
  Si  Si165  1  0.081787  0.082424  0.748193  1
  Si  Si166  1  0.085265  0.416456  0.084337  1
  Si  Si167  1  0.082865  0.417459  0.417790  1
  Si  Si168  1  0.082859  0.415961  0.750525  1
  Si  Si169  1  0.082588  0.749838  0.083410  1
  Si  Si170  1  0.082931  0.750504  0.416393  1
  Si  Si171  1  0.082569  0.748950  0.749210  1
  Si  Si172  1  0.416792  0.085322  0.083333  1
  Si  Si173  1  0.415975  0.083805  0.416638  1
  Si  Si174  1  0.416099  0.083561  0.749840  1
  Si  Si175  1  0.421744  0.422343  0.084430  1
  Si  Si176  1  0.417901  0.418246  0.419164  1
  Si  Si177  1  0.416151  0.416730  0.750515  1
  Si  Si178  1  0.416340  0.750451  0.083509  1
  Si  Si179  1  0.416506  0.751198  0.417078  1
  Si  Si180  1  0.416004  0.750260  0.750502  1
  Si  Si181  1  0.749110  0.083137  0.083234  1
  Si  Si182  1  0.749452  0.083514  0.416727  1
  Si  Si183  1  0.748008  0.082984  0.748684  1
  Si  Si184  1  0.750220  0.416725  0.083685  1
  Si  Si185  1  0.750176  0.417374  0.417058  1
  Si  Si186  1  0.749661  0.416856  0.750681  1
  Si  Si187  1  0.747980  0.748459  0.083794  1
  Si  Si188  1  0.749570  0.750351  0.416825  1
  Si  Si189  1  0.749341  0.749717  0.750004  1
  Si  Si190  1  0.127550  0.123203  0.954558  1
  Si  Si191  1  0.166534  0.168089  0.333367  1
  Si  Si192  1  0.165716  0.166352  0.665951  1
  Si  Si193  1  0.166630  0.500753  0.000746  1
  Si  Si194  1  0.165522  0.506343  0.339855  1
  Si  Si195  1  0.166047  0.499830  0.667092  1
  Si  Si196  1  0.165590  0.832873  0.999589  1
  Si  Si197  1  0.165950  0.834193  0.332791  1
  Si  Si198  1  0.165315  0.831743  0.664729  1
  Si  Si199  1  0.500856  0.167226  0.000095  1
  Si  Si200  1  0.504575  0.166591  0.338538  1
  Si  Si201  1  0.499593  0.166814  0.666593  1
  Si  Si202  1  0.503383  0.503919  0.000159  1
  Si  Si203  1  0.500205  0.500907  0.334007  1
  Si  Si204  1  0.499745  0.500488  0.667585  1
  Si  Si205  1  0.499547  0.833544  0.000034  1
  Si  Si206  1  0.499362  0.834500  0.333415  1
  Si  Si207  1  0.498812  0.833356  0.666582  1
  Si  Si208  1  0.832220  0.166150  0.999503  1
  Si  Si209  1  0.832699  0.166840  0.333513  1
  Si  Si210  1  0.829972  0.165825  0.663605  1
  Si  Si211  1  0.833898  0.499202  0.000135  1
  Si  Si212  1  0.833401  0.500442  0.333523  1
  Si  Si213  1  0.832696  0.499764  0.666876  1
  Si  Si214  1  0.829150  0.829699  0.999026  1
  Si  Si215  1  0.832733  0.833419  0.333058  1
  Si  Si216  1  0.832389  0.832902  0.666202  1
  I  I217  1  0.173734  0.209547  0.074938  1