# 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  0.259248  0.243119  0.085233  1
  Si  Si2  1  0.251219  0.248064  0.418642  1
  Si  Si3  1  0.250061  0.249662  0.750005  1
  Si  Si4  1  0.249964  0.583607  0.083638  1
  Si  Si5  1  0.249478  0.583139  0.416283  1
  Si  Si6  1  0.249642  0.582642  0.750100  1
  Si  Si7  1  0.250069  0.916263  0.083332  1
  Si  Si8  1  0.250452  0.914971  0.417494  1
  Si  Si9  1  0.249688  0.916735  0.750824  1
  Si  Si10  1  0.583704  0.249442  0.083209  1
  Si  Si11  1  0.584358  0.249454  0.416731  1
  Si  Si12  1  0.583437  0.249612  0.749703  1
  Si  Si13  1  0.583379  0.583237  0.082976  1
  Si  Si14  1  0.583291  0.582613  0.416152  1
  Si  Si15  1  0.582338  0.583425  0.749075  1
  Si  Si16  1  0.584031  0.915793  0.082860  1
  Si  Si17  1  0.583696  0.916066  0.416549  1
  Si  Si18  1  0.583051  0.916399  0.749786  1
  Si  Si19  1  0.917747  0.251461  0.081969  1
  Si  Si20  1  0.918003  0.249740  0.415736  1
  Si  Si21  1  0.916123  0.249889  0.749369  1
  Si  Si22  1  0.910542  0.588989  0.081211  1
  Si  Si23  1  0.916804  0.582719  0.415815  1
  Si  Si24  1  0.915749  0.584199  0.748206  1
  Si  Si25  1  0.916760  0.916990  0.083024  1
  Si  Si26  1  0.916520  0.916081  0.416531  1
  Si  Si27  1  0.916289  0.916903  0.749643  1
  Si  Si28  1  0.000206  0.000792  0.000171  1
  Si  Si29  1  0.000032  0.999026  0.333570  1
  Si  Si30  1  0.000014  0.000089  0.666950  1
  Si  Si31  1  0.988397  0.337974  0.987635  1
  Si  Si32  1  0.003116  0.331927  0.332383  1
  Si  Si33  1  0.999719  0.333074  0.666207  1
  Si  Si34  1  0.998972  0.667871  0.998860  1
  Si  Si35  1  0.999869  0.666655  0.332847  1
  Si  Si36  1  0.999622  0.667113  0.665473  1
  Si  Si37  1  0.332791  0.000174  0.999996  1
  Si  Si38  1  0.334876  0.997510  0.334386  1
  Si  Si39  1  0.333578  0.999316  0.667429  1
  Si  Si40  1  0.334444  0.332870  0.000867  1
  Si  Si41  1  0.335870  0.331653  0.336067  1
  Si  Si42  1  0.333472  0.332889  0.666634  1
  Si  Si43  1  0.333227  0.666534  0.999817  1
  Si  Si44  1  0.333276  0.666129  0.333022  1
  Si  Si45  1  0.333012  0.665838  0.666708  1
  Si  Si46  1  0.666827  0.999902  0.999863  1
  Si  Si47  1  0.667236  0.999596  0.333426  1
  Si  Si48  1  0.666704  0.999556  0.666587  1
  Si  Si49  1  0.666450  0.333185  0.999610  1
  Si  Si50  1  0.667403  0.332836  0.332947  1
  Si  Si51  1  0.664878  0.332660  0.664213  1
  Si  Si52  1  0.665288  0.667605  0.999320  1
  Si  Si53  1  0.666963  0.665601  0.332946  1
  Si  Si54  1  0.666378  0.666431  0.666049  1
  Si  Si55  1  0.251881  0.080043  0.251500  1
  Si  Si56  1  0.250315  0.082273  0.584299  1
  Si  Si57  1  0.248834  0.085002  0.918085  1
  Si  Si58  1  0.254827  0.418774  0.255424  1
  Si  Si59  1  0.250069  0.416077  0.583343  1
  Si  Si60  1  0.250437  0.414911  0.916234  1
  Si  Si61  1  0.250263  0.749792  0.249781  1
  Si  Si62  1  0.249805  0.749345  0.583816  1
  Si  Si63  1  0.249497  0.749659  0.916493  1
  Si  Si64  1  0.584295  0.082722  0.250009  1
  Si  Si65  1  0.583624  0.082853  0.583408  1
  Si  Si66  1  0.583346  0.082859  0.916485  1
  Si  Si67  1  0.583809  0.416098  0.249889  1
  Si  Si68  1  0.582988  0.416493  0.581938  1
  Si  Si69  1  0.583188  0.416448  0.916247  1
  Si  Si70  1  0.583877  0.749078  0.249731  1
  Si  Si71  1  0.583070  0.749555  0.582938  1
  Si  Si72  1  0.582244  0.750412  0.915950  1
  Si  Si73  1  0.917563  0.083067  0.249588  1
  Si  Si74  1  0.916533  0.082874  0.583298  1
  Si  Si75  1  0.916616  0.083823  0.916675  1
  Si  Si76  1  0.919780  0.415533  0.247215  1
  Si  Si77  1  0.916568  0.416378  0.582789  1
  Si  Si78  1  0.906726  0.419450  0.907017  1
  Si  Si79  1  0.916238  0.750021  0.249489  1
  Si  Si80  1  0.916212  0.749909  0.582427  1
  Si  Si81  1  0.916016  0.750856  0.915630  1
  Si  Si82  1  0.001774  0.167432  0.167681  1
  Si  Si83  1  0.000157  0.165786  0.500244  1
  Si  Si84  1  0.000039  0.167742  0.833893  1
  Si  Si85  1  0.993418  0.508964  0.164356  1
  Si  Si86  1  0.999983  0.499735  0.499595  1
  Si  Si87  1  0.998400  0.500895  0.830976  1
  Si  Si88  1  0.999773  0.833399  0.166354  1
  Si  Si89  1  0.999968  0.833147  0.499916  1
  Si  Si90  1  0.999732  0.834092  0.832841  1
  Si  Si91  1  0.339223  0.160262  0.168445  1
  Si  Si92  1  0.334513  0.165431  0.501446  1
  Si  Si93  1  0.333052  0.166502  0.833775  1
  Si  Si94  1  0.333892  0.499621  0.166041  1
  Si  Si95  1  0.332914  0.499370  0.499479  1
  Si  Si96  1  0.333402  0.499185  0.833292  1
  Si  Si97  1  0.333611  0.833037  0.166514  1
  Si  Si98  1  0.333706  0.832006  0.500506  1
  Si  Si99  1  0.332965  0.832998  0.833424  1
  Si  Si100  1  0.667253  0.166424  0.166530  1
  Si  Si101  1  0.667177  0.166015  0.499924  1
  Si  Si102  1  0.666417  0.166208  0.833079  1
  Si  Si103  1  0.666624  0.499752  0.166239  1
  Si  Si104  1  0.667052  0.499403  0.498804  1
  Si  Si105  1  0.665309  0.500178  0.832105  1
  Si  Si106  1  0.666119  0.833705  0.166713  1
  Si  Si107  1  0.666721  0.832753  0.499777  1
  Si  Si108  1  0.666377  0.833378  0.832979  1
  Si  Si109  1  0.088292  0.238068  0.262035  1
  Si  Si110  1  0.083375  0.249374  0.583386  1
  Si  Si111  1  0.082253  0.252831  0.917235  1
  Si  Si112  1  0.083157  0.584150  0.248707  1
  Si  Si113  1  0.083198  0.583143  0.582930  1
  Si  Si114  1  0.081991  0.585538  0.913602  1
  Si  Si115  1  0.083492  0.916114  0.249996  1
  Si  Si116  1  0.082986  0.914617  0.585394  1
  Si  Si117  1  0.083124  0.917123  0.916633  1
  Si  Si118  1  0.418156  0.248670  0.250772  1
  Si  Si119  1  0.417456  0.249308  0.584145  1
  Si  Si120  1  0.416977  0.249588  0.916726  1
  Si  Si121  1  0.416882  0.582898  0.249743  1
  Si  Si122  1  0.416149  0.582717  0.582849  1
  Si  Si123  1  0.416426  0.582920  0.916529  1
  Si  Si124  1  0.417910  0.914973  0.250204  1
  Si  Si125  1  0.416685  0.916065  0.583532  1
  Si  Si126  1  0.415940  0.916657  0.916641  1
  Si  Si127  1  0.751052  0.249883  0.249395  1
  Si  Si128  1  0.750372  0.249708  0.582647  1
  Si  Si129  1  0.749359  0.249721  0.916057  1
  Si  Si130  1  0.750499  0.582450  0.249593  1
  Si  Si131  1  0.749630  0.583287  0.582213  1
  Si  Si132  1  0.747879  0.584556  0.915225  1
  Si  Si133  1  0.750226  0.916493  0.249696  1
  Si  Si134  1  0.749915  0.916366  0.582942  1
  Si  Si135  1  0.749880  0.916939  0.916089  1
  Si  Si136  1  0.167007  0.999520  0.166975  1
  Si  Si137  1  0.167448  0.996022  0.503495  1
  Si  Si138  1  0.166594  0.000882  0.834030  1
  Si  Si139  1  0.191025  0.310569  0.190440  1
  Si  Si140  1  0.167004  0.332436  0.500183  1
  Si  Si141  1  0.166194  0.333340  0.832495  1
  Si  Si142  1  0.166530  0.667404  0.166061  1
  Si  Si143  1  0.166492  0.666617  0.499873  1
  Si  Si144  1  0.166056  0.667841  0.831571  1
  Si  Si145  1  0.502164  0.997704  0.167178  1
  Si  Si146  1  0.500459  0.999177  0.500301  1
  Si  Si147  1  0.499826  0.999543  0.833502  1
  Si  Si148  1  0.500515  0.332533  0.166883  1
  Si  Si149  1  0.500611  0.332291  0.500234  1
  Si  Si150  1  0.500129  0.332879  0.833046  1
  Si  Si151  1  0.500056  0.666385  0.166413  1
  Si  Si152  1  0.500006  0.665745  0.499806  1
  Si  Si153  1  0.499225  0.666538  0.832875  1
  Si  Si154  1  0.833535  0.000017  0.166625  1
  Si  Si155  1  0.833446  0.999644  0.499775  1
  Si  Si156  1  0.833410  0.000377  0.833176  1
  Si  Si157  1  0.833796  0.333448  0.165450  1
  Si  Si158  1  0.833989  0.332732  0.499142  1
  Si  Si159  1  0.827298  0.332598  0.827371  1
  Si  Si160  1  0.829561  0.669857  0.166349  1
  Si  Si161  1  0.833258  0.666247  0.499000  1
  Si  Si162  1  0.832676  0.667110  0.832469  1
  Si  Si163  1  0.083752  0.083490  0.084167  1
  Si  Si164  1  0.082882  0.076956  0.422267  1
  Si  Si165  1  0.083022  0.083726  0.750481  1
  Si  Si166  1  0.060897  0.440720  0.059187  1
  Si  Si167  1  0.083620  0.415876  0.417087  1
  Si  Si168  1  0.082763  0.416703  0.749391  1
  Si  Si169  1  0.082859  0.750199  0.082697  1
  Si  Si170  1  0.083140  0.749805  0.416493  1
  Si  Si171  1  0.082568  0.750316  0.749361  1
  Si  Si172  1  0.420116  0.079283  0.083279  1
  Si  Si173  1  0.417390  0.082366  0.417132  1
  Si  Si174  1  0.416576  0.082932  0.750611  1
  Si  Si175  1  0.417669  0.416218  0.083546  1
  Si  Si176  1  0.418108  0.415761  0.418050  1
  Si  Si177  1  0.416913  0.416208  0.749685  1
  Si  Si178  1  0.416752  0.749679  0.083099  1
  Si  Si179  1  0.416861  0.748961  0.416666  1
  Si  Si180  1  0.416057  0.749708  0.749725  1
  Si  Si181  1  0.750356  0.083186  0.082983  1
  Si  Si182  1  0.750642  0.083120  0.416387  1
  Si  Si183  1  0.749919  0.083140  0.749751  1
  Si  Si184  1  0.749857  0.416685  0.082610  1
  Si  Si185  1  0.751158  0.416286  0.415581  1
  Si  Si186  1  0.746320  0.417112  0.746120  1
  Si  Si187  1  0.747999  0.751837  0.082381  1
  Si  Si188  1  0.749852  0.749480  0.416088  1
  Si  Si189  1  0.749494  0.750157  0.749259  1
  Si  Si190  1  0.165837  0.169472  0.002389  1
  Si  Si191  1  0.169774  0.156359  0.342634  1
  Si  Si192  1  0.166697  0.166288  0.666812  1
  Si  Si193  1  0.169125  0.504533  0.994272  1
  Si  Si194  1  0.165192  0.500154  0.333378  1
  Si  Si195  1  0.166409  0.499752  0.666235  1
  Si  Si196  1  0.166403  0.833494  0.999683  1
  Si  Si197  1  0.166778  0.832855  0.333304  1
  Si  Si198  1  0.166794  0.832689  0.667656  1
  Si  Si199  1  0.500293  0.165934  0.000095  1
  Si  Si200  1  0.501126  0.165732  0.333970  1
  Si  Si201  1  0.500235  0.165880  0.667180  1
  Si  Si202  1  0.500088  0.499888  0.999755  1
  Si  Si203  1  0.499957  0.499160  0.333084  1
  Si  Si204  1  0.499669  0.499532  0.665753  1
  Si  Si205  1  0.499438  0.833555  0.999812  1
  Si  Si206  1  0.500737  0.831955  0.333547  1
  Si  Si207  1  0.499879  0.832783  0.666606  1
  Si  Si208  1  0.833383  0.167256  0.000042  1
  Si  Si209  1  0.834085  0.166339  0.332916  1
  Si  Si210  1  0.833205  0.166280  0.666315  1
  Si  Si211  1  0.830407  0.501592  0.998129  1
  Si  Si212  1  0.835324  0.498496  0.331510  1
  Si  Si213  1  0.832581  0.500010  0.665346  1
  Si  Si214  1  0.833005  0.834036  0.999570  1
  Si  Si215  1  0.833175  0.833045  0.333123  1
  Si  Si216  1  0.833181  0.833307  0.666174  1
  S  S217  1  0.081533  0.331243  0.124836  1
