# 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  0.295180  0.293597  0.122431  1
  Si  Si2  1  0.250223  0.250770  0.417493  1
  Si  Si3  1  0.249735  0.249617  0.749013  1
  Si  Si4  1  0.250218  0.584022  0.084194  1
  Si  Si5  1  0.250711  0.587208  0.420694  1
  Si  Si6  1  0.249729  0.583322  0.750300  1
  Si  Si7  1  0.249144  0.916088  0.083167  1
  Si  Si8  1  0.249694  0.917721  0.415819  1
  Si  Si9  1  0.249670  0.913117  0.746517  1
  Si  Si10  1  0.583898  0.250543  0.084027  1
  Si  Si11  1  0.586079  0.251015  0.419694  1
  Si  Si12  1  0.583121  0.250176  0.750196  1
  Si  Si13  1  0.585043  0.585140  0.084430  1
  Si  Si14  1  0.583526  0.584007  0.417405  1
  Si  Si15  1  0.583279  0.583553  0.750887  1
  Si  Si16  1  0.582797  0.916987  0.083675  1
  Si  Si17  1  0.582913  0.917172  0.417015  1
  Si  Si18  1  0.582252  0.916366  0.750006  1
  Si  Si19  1  0.916381  0.248832  0.083245  1
  Si  Si20  1  0.916210  0.250063  0.417117  1
  Si  Si21  1  0.911198  0.250281  0.745166  1
  Si  Si22  1  0.917025  0.582729  0.083837  1
  Si  Si23  1  0.916729  0.583470  0.417083  1
  Si  Si24  1  0.916483  0.582401  0.750435  1
  Si  Si25  1  0.909923  0.910516  0.084273  1
  Si  Si26  1  0.916278  0.916458  0.416384  1
  Si  Si27  1  0.915867  0.916016  0.749528  1
  Si  Si28  1  0.988704  0.989547  0.996139  1
  Si  Si29  1  0.999581  0.000099  0.333129  1
  Si  Si30  1  0.999020  0.998954  0.665410  1
  Si  Si31  1  0.002125  0.330355  0.000630  1
  Si  Si32  1  0.999746  0.333715  0.334357  1
  Si  Si33  1  0.999324  0.333100  0.666451  1
  Si  Si34  1  0.999699  0.666214  0.000173  1
  Si  Si35  1  0.999654  0.666872  0.333568  1
  Si  Si36  1  0.999318  0.665796  0.666754  1
  Si  Si37  1  0.332690  0.000184  0.001311  1
  Si  Si38  1  0.332256  0.001769  0.331804  1
  Si  Si39  1  0.332711  0.999935  0.666442  1
  Si  Si40  1  0.341444  0.341440  0.997404  1
  Si  Si41  1  0.335351  0.334834  0.336780  1
  Si  Si42  1  0.333497  0.333484  0.666765  1
  Si  Si43  1  0.333244  0.666921  0.000324  1
  Si  Si44  1  0.333385  0.667908  0.334187  1
  Si  Si45  1  0.332941  0.667228  0.667230  1
  Si  Si46  1  0.666075  0.999726  0.999949  1
  Si  Si47  1  0.666411  0.999967  0.333569  1
  Si  Si48  1  0.665263  0.999423  0.666178  1
  Si  Si49  1  0.666959  0.333477  0.000286  1
  Si  Si50  1  0.667492  0.333737  0.333968  1
  Si  Si51  1  0.666813  0.333464  0.667374  1
  Si  Si52  1  0.666701  0.666340  0.999925  1
  Si  Si53  1  0.666611  0.667065  0.333594  1
  Si  Si54  1  0.666234  0.666593  0.666912  1
  Si  Si55  1  0.249344  0.086363  0.247839  1
  Si  Si56  1  0.249679  0.083260  0.582945  1
  Si  Si57  1  0.252472  0.075312  0.908582  1
  Si  Si58  1  0.253871  0.427163  0.261298  1
  Si  Si59  1  0.250052  0.417023  0.583901  1
  Si  Si60  1  0.248668  0.416535  0.917231  1
  Si  Si61  1  0.249800  0.750537  0.250324  1
  Si  Si62  1  0.250091  0.750462  0.583282  1
  Si  Si63  1  0.249656  0.749776  0.916731  1
  Si  Si64  1  0.583562  0.083683  0.250593  1
  Si  Si65  1  0.582571  0.083362  0.583223  1
  Si  Si66  1  0.583247  0.083261  0.916439  1
  Si  Si67  1  0.584591  0.417824  0.250993  1
  Si  Si68  1  0.583826  0.417408  0.584738  1
  Si  Si69  1  0.583504  0.416818  0.917248  1
  Si  Si70  1  0.583271  0.750917  0.250690  1
  Si  Si71  1  0.583074  0.750242  0.583737  1
  Si  Si72  1  0.582759  0.749540  0.917039  1
  Si  Si73  1  0.915628  0.082976  0.250299  1
  Si  Si74  1  0.916019  0.083013  0.582471  1
  Si  Si75  1  0.913248  0.081888  0.914638  1
  Si  Si76  1  0.916929  0.416567  0.250406  1
  Si  Si77  1  0.916312  0.416789  0.583589  1
  Si  Si78  1  0.918148  0.414983  0.917760  1
  Si  Si79  1  0.916424  0.749850  0.250364  1
  Si  Si80  1  0.916403  0.749606  0.583415  1
  Si  Si81  1  0.915799  0.748804  0.916602  1
  Si  Si82  1  0.999132  0.165303  0.166445  1
  Si  Si83  1  0.999736  0.166597  0.499803  1
  Si  Si84  1  0.991544  0.164707  0.825362  1
  Si  Si85  1  0.000758  0.499312  0.167165  1
  Si  Si86  1  0.999497  0.500188  0.500792  1
  Si  Si87  1  0.000087  0.499100  0.834031  1
  Si  Si88  1  0.999213  0.832837  0.166690  1
  Si  Si89  1  0.999304  0.832972  0.499643  1
  Si  Si90  1  0.998776  0.831522  0.832260  1
  Si  Si91  1  0.344558  0.169108  0.175989  1
  Si  Si92  1  0.333327  0.166953  0.500354  1
  Si  Si93  1  0.332929  0.167175  0.832721  1
  Si  Si94  1  0.334664  0.502333  0.168140  1
  Si  Si95  1  0.333665  0.501196  0.501690  1
  Si  Si96  1  0.332627  0.499544  0.833868  1
  Si  Si97  1  0.333095  0.833644  0.166842  1
  Si  Si98  1  0.332757  0.834229  0.499705  1
  Si  Si99  1  0.332785  0.833436  0.833656  1
  Si  Si100  1  0.666830  0.166723  0.167117  1
  Si  Si101  1  0.667147  0.166389  0.501162  1
  Si  Si102  1  0.666337  0.166595  0.833143  1
  Si  Si103  1  0.667664  0.500535  0.167165  1
  Si  Si104  1  0.666722  0.500276  0.500522  1
  Si  Si105  1  0.666606  0.499875  0.833793  1
  Si  Si106  1  0.666222  0.833438  0.166834  1
  Si  Si107  1  0.666173  0.833398  0.500059  1
  Si  Si108  1  0.665371  0.832569  0.833036  1
  Si  Si109  1  0.083608  0.251469  0.250821  1
  Si  Si110  1  0.082818  0.250054  0.583192  1
  Si  Si111  1  0.073991  0.247635  0.905454  1
  Si  Si112  1  0.083309  0.583878  0.250750  1
  Si  Si113  1  0.083139  0.583290  0.583806  1
  Si  Si114  1  0.083181  0.583074  0.916945  1
  Si  Si115  1  0.082812  0.917406  0.249254  1
  Si  Si116  1  0.082811  0.916224  0.582283  1
  Si  Si117  1  0.081862  0.914405  0.915348  1
  Si  Si118  1  0.424621  0.252060  0.258422  1
  Si  Si119  1  0.416851  0.250223  0.583637  1
  Si  Si120  1  0.417259  0.249567  0.916983  1
  Si  Si121  1  0.417737  0.585195  0.251188  1
  Si  Si122  1  0.416984  0.584204  0.584630  1
  Si  Si123  1  0.416315  0.583273  0.917223  1
  Si  Si124  1  0.415991  0.917632  0.249929  1
  Si  Si125  1  0.416181  0.916910  0.583340  1
  Si  Si126  1  0.416079  0.917233  0.917336  1
  Si  Si127  1  0.750224  0.250132  0.250300  1
  Si  Si128  1  0.748828  0.250405  0.582776  1
  Si  Si129  1  0.749583  0.249819  0.916677  1
  Si  Si130  1  0.750395  0.583759  0.250625  1
  Si  Si131  1  0.749905  0.583414  0.583850  1
  Si  Si132  1  0.750241  0.582546  0.917214  1
  Si  Si133  1  0.749244  0.916547  0.250451  1
  Si  Si134  1  0.749450  0.916509  0.583300  1
  Si  Si135  1  0.748314  0.915599  0.916338  1
  Si  Si136  1  0.165514  0.000415  0.164470  1
  Si  Si137  1  0.166175  0.000234  0.499500  1
  Si  Si138  1  0.165464  0.994689  0.828291  1
  Si  Si139  1  0.169249  0.347970  0.181190  1
  Si  Si140  1  0.166545  0.333764  0.500687  1
  Si  Si141  1  0.166469  0.331438  0.833076  1
  Si  Si142  1  0.166415  0.667058  0.167224  1
  Si  Si143  1  0.166012  0.668538  0.501853  1
  Si  Si144  1  0.166294  0.666437  0.833479  1
  Si  Si145  1  0.499409  0.000883  0.166867  1
  Si  Si146  1  0.499116  0.000081  0.500085  1
  Si  Si147  1  0.499291  0.000128  0.833581  1
  Si  Si148  1  0.501617  0.334459  0.167955  1
  Si  Si149  1  0.501123  0.333930  0.501725  1
  Si  Si150  1  0.499897  0.333422  0.833700  1
  Si  Si151  1  0.500561  0.667880  0.167221  1
  Si  Si152  1  0.499779  0.667226  0.500462  1
  Si  Si153  1  0.499311  0.666574  0.833710  1
  Si  Si154  1  0.832006  0.999423  0.166919  1
  Si  Si155  1  0.832803  0.999540  0.499657  1
  Si  Si156  1  0.830701  0.998623  0.831862  1
  Si  Si157  1  0.833861  0.333034  0.166856  1
  Si  Si158  1  0.832999  0.333398  0.500320  1
  Si  Si159  1  0.833138  0.333104  0.833769  1
  Si  Si160  1  0.833432  0.666403  0.166845  1
  Si  Si161  1  0.833017  0.666597  0.500191  1
  Si  Si162  1  0.832809  0.665697  0.833278  1
  Si  Si163  1  0.068779  0.068750  0.080855  1
  Si  Si164  1  0.083094  0.083705  0.416131  1
  Si  Si165  1  0.082037  0.082317  0.748412  1
  Si  Si166  1  0.085507  0.416258  0.084438  1
  Si  Si167  1  0.083066  0.417306  0.418033  1
  Si  Si168  1  0.083130  0.415849  0.750584  1
  Si  Si169  1  0.082756  0.749697  0.083577  1
  Si  Si170  1  0.083098  0.750376  0.416599  1
  Si  Si171  1  0.082764  0.748869  0.749422  1
  Si  Si172  1  0.416881  0.085279  0.083489  1
  Si  Si173  1  0.416223  0.083661  0.416823  1
  Si  Si174  1  0.416208  0.083386  0.750055  1
  Si  Si175  1  0.421748  0.422062  0.084495  1
  Si  Si176  1  0.418104  0.418101  0.419313  1
  Si  Si177  1  0.416381  0.416678  0.750652  1
  Si  Si178  1  0.416514  0.750313  0.083672  1
  Si  Si179  1  0.416700  0.751022  0.417175  1
  Si  Si180  1  0.416286  0.750142  0.750668  1
  Si  Si181  1  0.749321  0.082970  0.083440  1
  Si  Si182  1  0.749574  0.083320  0.417026  1
  Si  Si183  1  0.748261  0.082863  0.748913  1
  Si  Si184  1  0.750423  0.416504  0.083802  1
  Si  Si185  1  0.750337  0.417217  0.417155  1
  Si  Si186  1  0.749897  0.416716  0.750882  1
  Si  Si187  1  0.748184  0.748249  0.083968  1
  Si  Si188  1  0.749782  0.750157  0.416999  1
  Si  Si189  1  0.749571  0.749562  0.750220  1
  Si  Si190  1  0.127451  0.123107  0.954850  1
  Si  Si191  1  0.166760  0.167901  0.333608  1
  Si  Si192  1  0.165970  0.166221  0.666078  1
  Si  Si193  1  0.166854  0.500607  0.000865  1
  Si  Si194  1  0.165694  0.506179  0.340065  1
  Si  Si195  1  0.166317  0.499728  0.667201  1
  Si  Si196  1  0.165808  0.832709  0.999771  1
  Si  Si197  1  0.166114  0.833996  0.332992  1
  Si  Si198  1  0.165548  0.831628  0.664905  1
  Si  Si199  1  0.500993  0.167121  0.000215  1
  Si  Si200  1  0.504815  0.166465  0.338733  1
  Si  Si201  1  0.499771  0.166679  0.666887  1
  Si  Si202  1  0.503491  0.503646  0.000296  1
  Si  Si203  1  0.500429  0.500709  0.334140  1
  Si  Si204  1  0.499975  0.500432  0.667751  1
  Si  Si205  1  0.499688  0.833451  0.000192  1
  Si  Si206  1  0.499564  0.834332  0.333524  1
  Si  Si207  1  0.499070  0.833225  0.666712  1
  Si  Si208  1  0.832508  0.165978  0.999737  1
  Si  Si209  1  0.832837  0.166578  0.333801  1
  Si  Si210  1  0.830235  0.165743  0.663862  1
  Si  Si211  1  0.834123  0.499033  0.000288  1
  Si  Si212  1  0.833625  0.500217  0.333619  1
  Si  Si213  1  0.832937  0.499630  0.667092  1
  Si  Si214  1  0.829298  0.829541  0.999226  1
  Si  Si215  1  0.832893  0.833228  0.333248  1
  Si  Si216  1  0.832624  0.832748  0.666421  1
  I  I217  1  0.174213  0.208306  0.075814  1
