# generated using pymatgen
data_Si216S
_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   Si216S
_chemical_formula_sum   'Si216 S1'
_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  0.249308  0.247368  0.082197  1
  Si  Si2  1  0.249909  0.250521  0.416807  1
  Si  Si3  1  0.250657  0.250370  0.749235  1
  Si  Si4  1  0.250004  0.582997  0.082993  1
  Si  Si5  1  0.250046  0.583523  0.415799  1
  Si  Si6  1  0.250542  0.583111  0.749873  1
  Si  Si7  1  0.252912  0.914668  0.081945  1
  Si  Si8  1  0.250050  0.917222  0.416206  1
  Si  Si9  1  0.251367  0.915614  0.747929  1
  Si  Si10  1  0.583196  0.250637  0.083228  1
  Si  Si11  1  0.582577  0.250747  0.417315  1
  Si  Si12  1  0.583967  0.250250  0.750309  1
  Si  Si13  1  0.581322  0.585370  0.082972  1
  Si  Si14  1  0.583114  0.583974  0.416595  1
  Si  Si15  1  0.583747  0.583630  0.749891  1
  Si  Si16  1  0.583661  0.916994  0.083070  1
  Si  Si17  1  0.583734  0.917454  0.416015  1
  Si  Si18  1  0.584354  0.916826  0.749579  1
  Si  Si19  1  0.904926  0.261797  0.087794  1
  Si  Si20  1  0.915970  0.251358  0.417886  1
  Si  Si21  1  0.917293  0.250092  0.750980  1
  Si  Si22  1  0.916544  0.583955  0.083425  1
  Si  Si23  1  0.916369  0.585053  0.417811  1
  Si  Si24  1  0.917021  0.583507  0.750139  1
  Si  Si25  1  0.917820  0.915957  0.083067  1
  Si  Si26  1  0.916877  0.917261  0.416848  1
  Si  Si27  1  0.917103  0.917629  0.750355  1
  Si  Si28  1  0.001850  0.991177  0.993504  1
  Si  Si29  1  0.000615  0.000306  0.333778  1
  Si  Si30  1  0.000385  0.000404  0.666569  1
  Si  Si31  1  0.999064  0.332586  0.001688  1
  Si  Si32  1  0.998249  0.339824  0.339196  1
  Si  Si33  1  0.000068  0.333551  0.667200  1
  Si  Si34  1  0.000192  0.666561  0.999785  1
  Si  Si35  1  0.000064  0.667048  0.333630  1
  Si  Si36  1  0.000006  0.666442  0.666265  1
  Si  Si37  1  0.335401  0.999285  0.998350  1
  Si  Si38  1  0.333284  0.000875  0.333171  1
  Si  Si39  1  0.334441  0.999965  0.665331  1
  Si  Si40  1  0.332641  0.332300  0.000031  1
  Si  Si41  1  0.332735  0.333568  0.332849  1
  Si  Si42  1  0.333521  0.333851  0.666236  1
  Si  Si43  1  0.333808  0.665993  0.999713  1
  Si  Si44  1  0.333342  0.667069  0.332880  1
  Si  Si45  1  0.333565  0.666682  0.666339  1
  Si  Si46  1  0.666976  0.000328  0.999968  1
  Si  Si47  1  0.667077  0.000906  0.332878  1
  Si  Si48  1  0.667692  0.000717  0.666987  1
  Si  Si49  1  0.666419  0.334156  0.000175  1
  Si  Si50  1  0.665359  0.334432  0.334306  1
  Si  Si51  1  0.666635  0.334019  0.667230  1
  Si  Si52  1  0.666721  0.666806  0.999970  1
  Si  Si53  1  0.666155  0.668030  0.333642  1
  Si  Si54  1  0.666881  0.667314  0.666742  1
  Si  Si55  1  0.250379  0.084990  0.250253  1
  Si  Si56  1  0.250491  0.083613  0.583050  1
  Si  Si57  1  0.259539  0.080687  0.906765  1
  Si  Si58  1  0.248539  0.415101  0.248770  1
  Si  Si59  1  0.250155  0.417128  0.583267  1
  Si  Si60  1  0.249937  0.416119  0.916659  1
  Si  Si61  1  0.250276  0.750256  0.249333  1
  Si  Si62  1  0.250615  0.749644  0.582185  1
  Si  Si63  1  0.251087  0.749234  0.916076  1
  Si  Si64  1  0.583347  0.083999  0.249862  1
  Si  Si65  1  0.584696  0.083454  0.582793  1
  Si  Si66  1  0.583953  0.083630  0.916491  1
  Si  Si67  1  0.582448  0.417508  0.250173  1
  Si  Si68  1  0.583217  0.417075  0.583604  1
  Si  Si69  1  0.583404  0.416982  0.916517  1
  Si  Si70  1  0.582916  0.750639  0.249664  1
  Si  Si71  1  0.583728  0.750455  0.583023  1
  Si  Si72  1  0.584365  0.750088  0.916213  1
  Si  Si73  1  0.911588  0.080966  0.254590  1
  Si  Si74  1  0.916850  0.083935  0.583698  1
  Si  Si75  1  0.919440  0.084326  0.919546  1
  Si  Si76  1  0.915204  0.419685  0.251720  1
  Si  Si77  1  0.916630  0.417126  0.584212  1
  Si  Si78  1  0.917148  0.416799  0.917573  1
  Si  Si79  1  0.916841  0.750157  0.250255  1
  Si  Si80  1  0.917018  0.750895  0.583877  1
  Si  Si81  1  0.917216  0.749963  0.916237  1
  Si  Si82  1  0.975827  0.190075  0.191711  1
  Si  Si83  1  0.999844  0.167531  0.500452  1
  Si  Si84  1  0.001316  0.166676  0.833928  1
  Si  Si85  1  0.999655  0.500630  0.167048  1
  Si  Si86  1  0.999467  0.502418  0.502234  1
  Si  Si87  1  0.000105  0.500032  0.833597  1
  Si  Si88  1  0.000431  0.832687  0.166584  1
  Si  Si89  1  0.000242  0.833738  0.500114  1
  Si  Si90  1  0.000274  0.830420  0.829781  1
  Si  Si91  1  0.334040  0.166825  0.166178  1
  Si  Si92  1  0.333683  0.167300  0.500084  1
  Si  Si93  1  0.339179  0.167512  0.827433  1
  Si  Si94  1  0.332654  0.499329  0.166571  1
  Si  Si95  1  0.333131  0.500512  0.499715  1
  Si  Si96  1  0.333513  0.499699  0.833453  1
  Si  Si97  1  0.335066  0.832310  0.166010  1
  Si  Si98  1  0.333682  0.833614  0.499231  1
  Si  Si99  1  0.334120  0.833115  0.832823  1
  Si  Si100  1  0.666525  0.167658  0.166923  1
  Si  Si101  1  0.666441  0.167707  0.500606  1
  Si  Si102  1  0.667580  0.167403  0.834037  1
  Si  Si103  1  0.663233  0.503986  0.167435  1
  Si  Si104  1  0.666350  0.500809  0.500424  1
  Si  Si105  1  0.666920  0.500388  0.833530  1
  Si  Si106  1  0.666729  0.833607  0.166500  1
  Si  Si107  1  0.666810  0.834388  0.499942  1
  Si  Si108  1  0.667617  0.833918  0.833281  1
  Si  Si109  1  0.081812  0.257076  0.259378  1
  Si  Si110  1  0.083591  0.250524  0.583690  1
  Si  Si111  1  0.084879  0.248671  0.917715  1
  Si  Si112  1  0.083349  0.583820  0.250061  1
  Si  Si113  1  0.083763  0.584264  0.584076  1
  Si  Si114  1  0.083757  0.583103  0.916704  1
  Si  Si115  1  0.083186  0.916378  0.249861  1
  Si  Si116  1  0.083722  0.916873  0.583333  1
  Si  Si117  1  0.085417  0.911251  0.910789  1
  Si  Si118  1  0.416728  0.250359  0.250000  1
  Si  Si119  1  0.417152  0.250391  0.583430  1
  Si  Si120  1  0.417342  0.250125  0.916174  1
  Si  Si121  1  0.416061  0.583309  0.249585  1
  Si  Si122  1  0.416862  0.583600  0.582999  1
  Si  Si123  1  0.417146  0.583088  0.916303  1
  Si  Si124  1  0.416667  0.917441  0.249473  1
  Si  Si125  1  0.417513  0.916671  0.582331  1
  Si  Si126  1  0.418485  0.915954  0.915781  1
  Si  Si127  1  0.748472  0.251929  0.250890  1
  Si  Si128  1  0.749935  0.250582  0.584344  1
  Si  Si129  1  0.751177  0.250300  0.918034  1
  Si  Si130  1  0.749285  0.585025  0.250442  1
  Si  Si131  1  0.750149  0.583971  0.583642  1
  Si  Si132  1  0.750302  0.584006  0.916440  1
  Si  Si133  1  0.750382  0.917099  0.249519  1
  Si  Si134  1  0.750473  0.917528  0.583237  1
  Si  Si135  1  0.750954  0.917459  0.916772  1
  Si  Si136  1  0.172262  0.995590  0.169240  1
  Si  Si137  1  0.166915  0.000224  0.500140  1
  Si  Si138  1  0.168525  0.998558  0.830770  1
  Si  Si139  1  0.164296  0.330818  0.166045  1
  Si  Si140  1  0.166512  0.334137  0.500303  1
  Si  Si141  1  0.166744  0.332797  0.833493  1
  Si  Si142  1  0.166943  0.666567  0.166475  1
  Si  Si143  1  0.166777  0.666488  0.499523  1
  Si  Si144  1  0.167154  0.666161  0.833156  1
  Si  Si145  1  0.500418  0.000463  0.166406  1
  Si  Si146  1  0.500771  0.000578  0.499649  1
  Si  Si147  1  0.501332  0.000143  0.832720  1
  Si  Si148  1  0.499817  0.333751  0.166704  1
  Si  Si149  1  0.499484  0.334187  0.500207  1
  Si  Si150  1  0.500408  0.333715  0.833356  1
  Si  Si151  1  0.499072  0.667417  0.166755  1
  Si  Si152  1  0.500008  0.667300  0.499875  1
  Si  Si153  1  0.500567  0.666750  0.833313  1
  Si  Si154  1  0.833281  0.999956  0.165335  1
  Si  Si155  1  0.833545  0.001048  0.500021  1
  Si  Si156  1  0.835174  0.001592  0.835300  1
  Si  Si157  1  0.824319  0.343560  0.169530  1
  Si  Si158  1  0.832644  0.334237  0.501105  1
  Si  Si159  1  0.833923  0.333654  0.834248  1
  Si  Si160  1  0.833271  0.667290  0.166827  1
  Si  Si161  1  0.833129  0.668166  0.500772  1
  Si  Si162  1  0.833597  0.667048  0.833174  1
  Si  Si163  1  0.107947  0.058804  0.060317  1
  Si  Si164  1  0.083271  0.083728  0.417475  1
  Si  Si165  1  0.084143  0.083289  0.749795  1
  Si  Si166  1  0.082544  0.416520  0.083656  1
  Si  Si167  1  0.083430  0.420762  0.420047  1
  Si  Si168  1  0.083748  0.416689  0.750248  1
  Si  Si169  1  0.083912  0.749736  0.082847  1
  Si  Si170  1  0.083578  0.750305  0.416705  1
  Si  Si171  1  0.084281  0.748310  0.748091  1
  Si  Si172  1  0.417267  0.083320  0.082642  1
  Si  Si173  1  0.417004  0.083820  0.416684  1
  Si  Si174  1  0.420564  0.082942  0.746302  1
  Si  Si175  1  0.416233  0.416245  0.082943  1
  Si  Si176  1  0.416122  0.417012  0.416386  1
  Si  Si177  1  0.416955  0.416715  0.749859  1
  Si  Si178  1  0.417383  0.749676  0.082510  1
  Si  Si179  1  0.416959  0.750423  0.415980  1
  Si  Si180  1  0.417360  0.749834  0.749535  1
  Si  Si181  1  0.749735  0.084086  0.083456  1
  Si  Si182  1  0.748805  0.084343  0.417883  1
  Si  Si183  1  0.751121  0.083743  0.750970  1
  Si  Si184  1  0.744580  0.422880  0.082802  1
  Si  Si185  1  0.749618  0.417479  0.417197  1
  Si  Si186  1  0.750358  0.416791  0.750612  1
  Si  Si187  1  0.750113  0.750238  0.083072  1
  Si  Si188  1  0.750035  0.751065  0.416766  1
  Si  Si189  1  0.750629  0.750634  0.749771  1
  Si  Si190  1  0.179054  0.162540  0.988458  1
  Si  Si191  1  0.165901  0.167298  0.334294  1
  Si  Si192  1  0.167186  0.166937  0.666411  1
  Si  Si193  1  0.166561  0.499406  0.000193  1
  Si  Si194  1  0.166652  0.500022  0.332789  1
  Si  Si195  1  0.166782  0.500216  0.666810  1
  Si  Si196  1  0.167731  0.832365  0.999056  1
  Si  Si197  1  0.166915  0.833486  0.333076  1
  Si  Si198  1  0.167355  0.832613  0.665329  1
  Si  Si199  1  0.500537  0.167037  0.999649  1
  Si  Si200  1  0.500085  0.167288  0.333355  1
  Si  Si201  1  0.502527  0.167311  0.664834  1
  Si  Si202  1  0.499828  0.499970  0.000032  1
  Si  Si203  1  0.499386  0.500674  0.333451  1
  Si  Si204  1  0.500070  0.500494  0.666706  1
  Si  Si205  1  0.501226  0.833030  0.999556  1
  Si  Si206  1  0.500059  0.834310  0.332887  1
  Si  Si207  1  0.500559  0.833673  0.666365  1
  Si  Si208  1  0.834513  0.168129  0.003026  1
  Si  Si209  1  0.830964  0.168406  0.335484  1
  Si  Si210  1  0.833795  0.167334  0.667324  1
  Si  Si211  1  0.833152  0.501038  0.999969  1
  Si  Si212  1  0.832373  0.502446  0.334782  1
  Si  Si213  1  0.833249  0.500451  0.667192  1
  Si  Si214  1  0.833820  0.833496  0.999808  1
  Si  Si215  1  0.833678  0.834123  0.333189  1
  Si  Si216  1  0.833723  0.834602  0.666806  1
  S  S217  1  0.042517  0.168461  0.082616  1