# 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  0.274144  0.273935  0.106064  1
  Si  Si2  1  0.250078  0.250203  0.416896  1
  Si  Si3  1  0.249835  0.249752  0.749372  1
  Si  Si4  1  0.250089  0.583691  0.084036  1
  Si  Si5  1  0.250678  0.587059  0.420696  1
  Si  Si6  1  0.249989  0.583334  0.750000  1
  Si  Si7  1  0.249296  0.915920  0.083508  1
  Si  Si8  1  0.249625  0.917336  0.415902  1
  Si  Si9  1  0.249264  0.915253  0.748960  1
  Si  Si10  1  0.583518  0.250271  0.083775  1
  Si  Si11  1  0.584928  0.250466  0.418862  1
  Si  Si12  1  0.583328  0.250003  0.750011  1
  Si  Si13  1  0.583561  0.583744  0.084418  1
  Si  Si14  1  0.583438  0.583525  0.416896  1
  Si  Si15  1  0.583379  0.583521  0.750704  1
  Si  Si16  1  0.583332  0.916663  0.083349  1
  Si  Si17  1  0.583079  0.917051  0.416969  1
  Si  Si18  1  0.582290  0.916305  0.749938  1
  Si  Si19  1  0.916755  0.248910  0.083577  1
  Si  Si20  1  0.916662  0.250010  0.416665  1
  Si  Si21  1  0.912783  0.250065  0.746606  1
  Si  Si22  1  0.917329  0.582787  0.083904  1
  Si  Si23  1  0.916661  0.583334  0.416680  1
  Si  Si24  1  0.916432  0.582549  0.750243  1
  Si  Si25  1  0.910260  0.910873  0.083915  1
  Si  Si26  1  0.916662  0.916660  0.416658  1
  Si  Si27  1  0.915893  0.916133  0.749668  1
  Si  Si28  1  0.989614  0.990516  0.997191  1
  Si  Si29  1  0.999897  0.000062  0.333269  1
  Si  Si30  1  0.999130  0.999093  0.665768  1
  Si  Si31  1  0.002533  0.330661  0.001239  1
  Si  Si32  1  0.000147  0.333314  0.333347  1
  Si  Si33  1  0.999700  0.333198  0.666569  1
  Si  Si34  1  0.999939  0.666482  0.000144  1
  Si  Si35  1  0.999726  0.666801  0.333467  1
  Si  Si36  1  0.999559  0.665936  0.666628  1
  Si  Si37  1  0.333327  0.999639  0.001732  1
  Si  Si38  1  0.331699  0.001285  0.331553  1
  Si  Si39  1  0.332845  0.999934  0.667018  1
  Si  Si40  1  0.337788  0.338642  0.997719  1
  Si  Si41  1  0.334787  0.334848  0.336378  1
  Si  Si42  1  0.333392  0.333319  0.666557  1
  Si  Si43  1  0.333197  0.666689  0.000219  1
  Si  Si44  1  0.333367  0.667752  0.334251  1
  Si  Si45  1  0.333146  0.667242  0.667180  1
  Si  Si46  1  0.666520  0.999977  0.000063  1
  Si  Si47  1  0.666553  0.999971  0.333478  1
  Si  Si48  1  0.665268  0.999484  0.666079  1
  Si  Si49  1  0.666696  0.333330  0.000137  1
  Si  Si50  1  0.666855  0.333257  0.333621  1
  Si  Si51  1  0.667010  0.333392  0.667319  1
  Si  Si52  1  0.666025  0.665278  0.000154  1
  Si  Si53  1  0.666623  0.666828  0.333400  1
  Si  Si54  1  0.666559  0.666575  0.666746  1
  Si  Si55  1  0.248726  0.085913  0.247385  1
  Si  Si56  1  0.249991  0.083327  0.583336  1
  Si  Si57  1  0.252103  0.078092  0.912363  1
  Si  Si58  1  0.252805  0.426218  0.260436  1
  Si  Si59  1  0.249993  0.416678  0.583360  1
  Si  Si60  1  0.248374  0.416913  0.916492  1
  Si  Si61  1  0.249922  0.750144  0.250167  1
  Si  Si62  1  0.250013  0.751156  0.584130  1
  Si  Si63  1  0.249987  0.749989  0.916669  1
  Si  Si64  1  0.583359  0.083486  0.250422  1
  Si  Si65  1  0.582408  0.083279  0.582947  1
  Si  Si66  1  0.583340  0.083341  0.916666  1
  Si  Si67  1  0.584041  0.417417  0.250689  1
  Si  Si68  1  0.583842  0.417096  0.584521  1
  Si  Si69  1  0.582990  0.416770  0.917433  1
  Si  Si70  1  0.583352  0.750931  0.250609  1
  Si  Si71  1  0.583329  0.750005  0.583342  1
  Si  Si72  1  0.582862  0.749136  0.917057  1
  Si  Si73  1  0.916667  0.083346  0.249987  1
  Si  Si74  1  0.916334  0.083351  0.582900  1
  Si  Si75  1  0.913550  0.081699  0.915009  1
  Si  Si76  1  0.916682  0.416654  0.250015  1
  Si  Si77  1  0.916465  0.416660  0.583451  1
  Si  Si78  1  0.918448  0.415237  0.918123  1
  Si  Si79  1  0.916653  0.749999  0.250021  1
  Si  Si80  1  0.916664  0.749981  0.583337  1
  Si  Si81  1  0.915957  0.749016  0.916664  1
  Si  Si82  1  0.000660  0.165456  0.165525  1
  Si  Si83  1  0.999982  0.166716  0.499882  1
  Si  Si84  1  0.993566  0.164770  0.827457  1
  Si  Si85  1  0.001072  0.499239  0.166953  1
  Si  Si86  1  0.999591  0.500138  0.500410  1
  Si  Si87  1  0.000037  0.499467  0.833847  1
  Si  Si88  1  0.999446  0.833069  0.166442  1
  Si  Si89  1  0.999872  0.833207  0.499789  1
  Si  Si90  1  0.999017  0.831909  0.832462  1
  Si  Si91  1  0.342105  0.168583  0.173498  1
  Si  Si92  1  0.333230  0.166761  0.500081  1
  Si  Si93  1  0.333171  0.167028  0.832991  1
  Si  Si94  1  0.333984  0.502097  0.168549  1
  Si  Si95  1  0.333662  0.500958  0.501494  1
  Si  Si96  1  0.332838  0.499590  0.833350  1
  Si  Si97  1  0.333279  0.833242  0.166746  1
  Si  Si98  1  0.332828  0.834140  0.499909  1
  Si  Si99  1  0.333023  0.833709  0.833705  1
  Si  Si100  1  0.666681  0.166621  0.166819  1
  Si  Si101  1  0.666968  0.166359  0.500616  1
  Si  Si102  1  0.666534  0.166673  0.833289  1
  Si  Si103  1  0.667184  0.500190  0.167008  1
  Si  Si104  1  0.666690  0.500002  0.500156  1
  Si  Si105  1  0.666436  0.499859  0.833961  1
  Si  Si106  1  0.666600  0.833318  0.166779  1
  Si  Si107  1  0.666562  0.833407  0.499953  1
  Si  Si108  1  0.665370  0.832550  0.833039  1
  Si  Si109  1  0.084793  0.251298  0.249409  1
  Si  Si110  1  0.083322  0.250003  0.583330  1
  Si  Si111  1  0.076290  0.247973  0.907780  1
  Si  Si112  1  0.083414  0.583682  0.250904  1
  Si  Si113  1  0.083315  0.583338  0.583351  1
  Si  Si114  1  0.083329  0.583334  0.916676  1
  Si  Si115  1  0.083113  0.917323  0.249162  1
  Si  Si116  1  0.083127  0.916408  0.582848  1
  Si  Si117  1  0.081623  0.914785  0.915913  1
  Si  Si118  1  0.422272  0.251834  0.256287  1
  Si  Si119  1  0.416672  0.250000  0.583342  1
  Si  Si120  1  0.417091  0.249691  0.916775  1
  Si  Si121  1  0.417481  0.585028  0.250988  1
  Si  Si122  1  0.416952  0.584015  0.584403  1
  Si  Si123  1  0.416140  0.582804  0.917251  1
  Si  Si124  1  0.416031  0.917243  0.249984  1
  Si  Si125  1  0.416191  0.916735  0.583611  1
  Si  Si126  1  0.416546  0.916938  0.917375  1
  Si  Si127  1  0.750010  0.250000  0.250006  1
  Si  Si128  1  0.749141  0.250215  0.582771  1
  Si  Si129  1  0.749990  0.249993  0.916671  1
  Si  Si130  1  0.750183  0.583467  0.250248  1
  Si  Si131  1  0.750001  0.583330  0.583347  1
  Si  Si132  1  0.750345  0.582473  0.917182  1
  Si  Si133  1  0.749764  0.916674  0.250171  1
  Si  Si134  1  0.749859  0.916660  0.583304  1
  Si  Si135  1  0.748336  0.915720  0.916240  1
  Si  Si136  1  0.165287  0.000588  0.163924  1
  Si  Si137  1  0.166582  0.000105  0.499912  1
  Si  Si138  1  0.165027  0.997363  0.831120  1
  Si  Si139  1  0.171426  0.345489  0.178499  1
  Si  Si140  1  0.166618  0.333430  0.500104  1
  Si  Si141  1  0.166218  0.332196  0.832565  1
  Si  Si142  1  0.166492  0.666810  0.167079  1
  Si  Si143  1  0.166359  0.668804  0.502129  1
  Si  Si144  1  0.166630  0.666554  0.833325  1
  Si  Si145  1  0.500002  0.000041  0.166805  1
  Si  Si146  1  0.498970  0.999987  0.499871  1
  Si  Si147  1  0.499691  0.000062  0.833636  1
  Si  Si148  1  0.501131  0.334009  0.167775  1
  Si  Si149  1  0.500923  0.333744  0.501519  1
  Si  Si150  1  0.500071  0.333420  0.833399  1
  Si  Si151  1  0.500488  0.667780  0.167263  1
  Si  Si152  1  0.499940  0.666834  0.500122  1
  Si  Si153  1  0.499375  0.666282  0.833819  1
  Si  Si154  1  0.832739  0.999745  0.166917  1
  Si  Si155  1  0.833226  0.999920  0.499866  1
  Si  Si156  1  0.830915  0.998885  0.831954  1
  Si  Si157  1  0.833508  0.333159  0.166571  1
  Si  Si158  1  0.833227  0.333259  0.499958  1
  Si  Si159  1  0.833698  0.333349  0.833929  1
  Si  Si160  1  0.833489  0.666346  0.166777  1
  Si  Si161  1  0.833336  0.666705  0.500048  1
  Si  Si162  1  0.832964  0.665936  0.833291  1
  Si  Si163  1  0.071361  0.071122  0.078956  1
  Si  Si164  1  0.083370  0.083422  0.416542  1
  Si  Si165  1  0.082122  0.082543  0.748662  1
  Si  Si166  1  0.086197  0.415875  0.084647  1
  Si  Si167  1  0.082896  0.417059  0.417554  1
  Si  Si168  1  0.083322  0.416660  0.749999  1
  Si  Si169  1  0.083270  0.749971  0.083353  1
  Si  Si170  1  0.083308  0.750065  0.416650  1
  Si  Si171  1  0.082849  0.749049  0.749606  1
  Si  Si172  1  0.417381  0.084322  0.083742  1
  Si  Si173  1  0.415705  0.083202  0.416353  1
  Si  Si174  1  0.416658  0.083335  0.750008  1
  Si  Si175  1  0.418680  0.419374  0.085126  1
  Si  Si176  1  0.417848  0.417708  0.418934  1
  Si  Si177  1  0.416649  0.416658  0.750024  1
  Si  Si178  1  0.416668  0.750006  0.083347  1
  Si  Si179  1  0.416724  0.750924  0.417212  1
  Si  Si180  1  0.416414  0.750162  0.750650  1
  Si  Si181  1  0.749987  0.083323  0.083336  1
  Si  Si182  1  0.749996  0.083335  0.416674  1
  Si  Si183  1  0.748330  0.082928  0.748957  1
  Si  Si184  1  0.750054  0.416634  0.083377  1
  Si  Si185  1  0.750010  0.416672  0.416675  1
  Si  Si186  1  0.750051  0.416648  0.751036  1
  Si  Si187  1  0.748029  0.747782  0.083728  1
  Si  Si188  1  0.749996  0.750008  0.416672  1
  Si  Si189  1  0.749794  0.749792  0.750103  1
  Si  Si190  1  0.143474  0.142596  0.975931  1
  Si  Si191  1  0.166458  0.167501  0.333288  1
  Si  Si192  1  0.166262  0.166292  0.666477  1
  Si  Si193  1  0.166613  0.500561  0.000595  1
  Si  Si194  1  0.165987  0.505768  0.339815  1
  Si  Si195  1  0.166611  0.499992  0.666605  1
  Si  Si196  1  0.166194  0.833022  0.999674  1
  Si  Si197  1  0.166199  0.833701  0.332907  1
  Si  Si198  1  0.165866  0.832885  0.666477  1
  Si  Si199  1  0.500552  0.166904  0.000189  1
  Si  Si200  1  0.502941  0.166489  0.337162  1
  Si  Si201  1  0.499879  0.166740  0.666716  1
  Si  Si202  1  0.501011  0.501385  0.001020  1
  Si  Si203  1  0.500118  0.500417  0.333835  1
  Si  Si204  1  0.500189  0.500394  0.667381  1
  Si  Si205  1  0.500014  0.833217  0.000126  1
  Si  Si206  1  0.499654  0.834183  0.333606  1
  Si  Si207  1  0.499419  0.833000  0.666607  1
  Si  Si208  1  0.833084  0.166399  0.999779  1
  Si  Si209  1  0.833252  0.166585  0.333360  1
  Si  Si210  1  0.831017  0.166092  0.664749  1
  Si  Si211  1  0.834254  0.499248  0.000364  1
  Si  Si212  1  0.833382  0.500022  0.333439  1
  Si  Si213  1  0.832956  0.499634  0.666937  1
  Si  Si214  1  0.829273  0.829688  0.999191  1
  Si  Si215  1  0.833282  0.833412  0.333262  1
  Si  Si216  1  0.832889  0.832953  0.666468  1
  S  S217  1  0.164640  0.208326  0.085291  1
