# 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  0.249936  0.249067  0.083699  1
  Si  Si2  1  0.254051  0.249969  0.420027  1
  Si  Si3  1  0.250165  0.250351  0.750323  1
  Si  Si4  1  0.249602  0.582802  0.083017  1
  Si  Si5  1  0.250489  0.582732  0.416548  1
  Si  Si6  1  0.250292  0.583515  0.749928  1
  Si  Si7  1  0.256456  0.911052  0.082876  1
  Si  Si8  1  0.250917  0.916266  0.417292  1
  Si  Si9  1  0.250272  0.916914  0.750607  1
  Si  Si10  1  0.583118  0.250560  0.082923  1
  Si  Si11  1  0.583640  0.250196  0.416814  1
  Si  Si12  1  0.581533  0.250914  0.748021  1
  Si  Si13  1  0.583134  0.583859  0.082621  1
  Si  Si14  1  0.583646  0.583622  0.416033  1
  Si  Si15  1  0.583287  0.584008  0.749633  1
  Si  Si16  1  0.583608  0.916808  0.083192  1
  Si  Si17  1  0.584434  0.916566  0.416955  1
  Si  Si18  1  0.583950  0.917227  0.749812  1
  Si  Si19  1  0.892506  0.274255  0.060825  1
  Si  Si20  1  0.917088  0.249885  0.417710  1
  Si  Si21  1  0.916669  0.250724  0.749812  1
  Si  Si22  1  0.916727  0.583915  0.082786  1
  Si  Si23  1  0.917213  0.583665  0.416915  1
  Si  Si24  1  0.916263  0.587226  0.746279  1
  Si  Si25  1  0.917486  0.916238  0.083549  1
  Si  Si26  1  0.917674  0.915370  0.418011  1
  Si  Si27  1  0.917163  0.917775  0.751111  1
  Si  Si28  1  0.001416  0.001017  0.003152  1
  Si  Si29  1  0.001807  0.997408  0.335758  1
  Si  Si30  1  0.000595  0.000426  0.667416  1
  Si  Si31  1  0.995465  0.345604  0.988537  1
  Si  Si32  1  0.000519  0.332494  0.334492  1
  Si  Si33  1  0.000229  0.333788  0.666526  1
  Si  Si34  1  0.000344  0.667118  0.999736  1
  Si  Si35  1  0.000502  0.666748  0.333531  1
  Si  Si36  1  0.000684  0.669103  0.664914  1
  Si  Si37  1  0.334399  0.999713  0.999978  1
  Si  Si38  1  0.335838  0.999012  0.334871  1
  Si  Si39  1  0.333779  0.999902  0.667243  1
  Si  Si40  1  0.332686  0.333165  0.000247  1
  Si  Si41  1  0.333237  0.333326  0.332848  1
  Si  Si42  1  0.333545  0.333451  0.666870  1
  Si  Si43  1  0.333268  0.666419  0.000060  1
  Si  Si44  1  0.334072  0.665981  0.333581  1
  Si  Si45  1  0.333838  0.666741  0.666733  1
  Si  Si46  1  0.666720  0.000419  0.999855  1
  Si  Si47  1  0.667246  0.000278  0.333386  1
  Si  Si48  1  0.667853  0.000309  0.666928  1
  Si  Si49  1  0.665506  0.334364  0.999021  1
  Si  Si50  1  0.666783  0.333545  0.333361  1
  Si  Si51  1  0.665779  0.334012  0.665395  1
  Si  Si52  1  0.666339  0.667777  0.999718  1
  Si  Si53  1  0.667539  0.666612  0.333023  1
  Si  Si54  1  0.667037  0.667222  0.666514  1
  Si  Si55  1  0.253241  0.081847  0.251749  1
  Si  Si56  1  0.250569  0.083333  0.584250  1
  Si  Si57  1  0.250293  0.083713  0.917473  1
  Si  Si58  1  0.248358  0.415289  0.248840  1
  Si  Si59  1  0.250614  0.416834  0.583247  1
  Si  Si60  1  0.249570  0.416613  0.916658  1
  Si  Si61  1  0.251044  0.749083  0.250242  1
  Si  Si62  1  0.250504  0.749943  0.583586  1
  Si  Si63  1  0.250452  0.750070  0.916511  1
  Si  Si64  1  0.583446  0.083477  0.250401  1
  Si  Si65  1  0.584232  0.083558  0.583907  1
  Si  Si66  1  0.583371  0.083890  0.916211  1
  Si  Si67  1  0.583749  0.416847  0.249429  1
  Si  Si68  1  0.582924  0.417325  0.582252  1
  Si  Si69  1  0.582495  0.417755  0.916076  1
  Si  Si70  1  0.583975  0.749546  0.249848  1
  Si  Si71  1  0.583817  0.750343  0.583170  1
  Si  Si72  1  0.583511  0.750922  0.916299  1
  Si  Si73  1  0.914491  0.078111  0.254754  1
  Si  Si74  1  0.917236  0.083475  0.583786  1
  Si  Si75  1  0.917756  0.086208  0.919653  1
  Si  Si76  1  0.918430  0.417190  0.250429  1
  Si  Si77  1  0.916944  0.417130  0.583175  1
  Si  Si78  1  0.914046  0.426313  0.906632  1
  Si  Si79  1  0.917278  0.750037  0.250042  1
  Si  Si80  1  0.916917  0.751421  0.582919  1
  Si  Si81  1  0.917012  0.750594  0.916591  1
  Si  Si82  1  0.022925  0.142770  0.191187  1
  Si  Si83  1  0.000820  0.166495  0.500576  1
  Si  Si84  1  0.000001  0.167934  0.833822  1
  Si  Si85  1  0.000188  0.500811  0.166267  1
  Si  Si86  1  0.000583  0.500281  0.500165  1
  Si  Si87  1  0.000833  0.505919  0.827282  1
  Si  Si88  1  0.000951  0.833109  0.166999  1
  Si  Si89  1  0.001117  0.833112  0.500630  1
  Si  Si90  1  0.000712  0.834228  0.834069  1
  Si  Si91  1  0.333985  0.166334  0.167044  1
  Si  Si92  1  0.335691  0.166121  0.502206  1
  Si  Si93  1  0.333409  0.166762  0.833582  1
  Si  Si94  1  0.332551  0.499280  0.166602  1
  Si  Si95  1  0.333981  0.499807  0.499773  1
  Si  Si96  1  0.333110  0.500135  0.833491  1
  Si  Si97  1  0.337455  0.829774  0.167479  1
  Si  Si98  1  0.334173  0.833059  0.500455  1
  Si  Si99  1  0.333797  0.833544  0.833489  1
  Si  Si100  1  0.665941  0.167120  0.166672  1
  Si  Si101  1  0.666996  0.166913  0.500181  1
  Si  Si102  1  0.663643  0.166974  0.829597  1
  Si  Si103  1  0.665782  0.501596  0.166035  1
  Si  Si104  1  0.666808  0.500444  0.499285  1
  Si  Si105  1  0.666425  0.500794  0.832861  1
  Si  Si106  1  0.666845  0.833418  0.166568  1
  Si  Si107  1  0.667692  0.833404  0.500088  1
  Si  Si108  1  0.667177  0.834291  0.833312  1
  Si  Si109  1  0.090210  0.248156  0.259242  1
  Si  Si110  1  0.083909  0.250164  0.583736  1
  Si  Si111  1  0.081943  0.251315  0.917721  1
  Si  Si112  1  0.083699  0.583402  0.250144  1
  Si  Si113  1  0.083835  0.583656  0.583481  1
  Si  Si114  1  0.083458  0.583920  0.916122  1
  Si  Si115  1  0.085329  0.914774  0.251009  1
  Si  Si116  1  0.083911  0.916582  0.584352  1
  Si  Si117  1  0.083692  0.917669  0.917985  1
  Si  Si118  1  0.417076  0.249984  0.250122  1
  Si  Si119  1  0.417524  0.250401  0.584011  1
  Si  Si120  1  0.416416  0.250326  0.916777  1
  Si  Si121  1  0.416611  0.582587  0.249646  1
  Si  Si122  1  0.417005  0.583514  0.583115  1
  Si  Si123  1  0.416420  0.583715  0.916399  1
  Si  Si124  1  0.418337  0.915832  0.250502  1
  Si  Si125  1  0.417258  0.916756  0.583690  1
  Si  Si126  1  0.417364  0.916823  0.916444  1
  Si  Si127  1  0.749625  0.249682  0.250085  1
  Si  Si128  1  0.750065  0.250326  0.583477  1
  Si  Si129  1  0.744360  0.252190  0.910530  1
  Si  Si130  1  0.750726  0.583187  0.249654  1
  Si  Si131  1  0.749953  0.584222  0.582342  1
  Si  Si132  1  0.749252  0.585116  0.915843  1
  Si  Si133  1  0.750230  0.917090  0.249560  1
  Si  Si134  1  0.750797  0.917047  0.583306  1
  Si  Si135  1  0.750693  0.917506  0.916849  1
  Si  Si136  1  0.177122  0.990649  0.169697  1
  Si  Si137  1  0.167630  0.999321  0.501173  1
  Si  Si138  1  0.167072  0.000434  0.834098  1
  Si  Si139  1  0.164111  0.330824  0.165910  1
  Si  Si140  1  0.167510  0.333150  0.500324  1
  Si  Si141  1  0.166238  0.333296  0.833461  1
  Si  Si142  1  0.167127  0.666443  0.166738  1
  Si  Si143  1  0.167555  0.666102  0.500250  1
  Si  Si144  1  0.167197  0.666927  0.833274  1
  Si  Si145  1  0.500559  0.999933  0.166851  1
  Si  Si146  1  0.501463  0.999711  0.500793  1
  Si  Si147  1  0.500421  0.000201  0.833139  1
  Si  Si148  1  0.499943  0.333582  0.166521  1
  Si  Si149  1  0.499818  0.333492  0.499499  1
  Si  Si150  1  0.499486  0.333717  0.833131  1
  Si  Si151  1  0.500841  0.665598  0.166797  1
  Si  Si152  1  0.500621  0.666711  0.499953  1
  Si  Si153  1  0.500142  0.667109  0.833348  1
  Si  Si154  1  0.833289  0.999898  0.165237  1
  Si  Si155  1  0.834311  0.000165  0.500045  1
  Si  Si156  1  0.834917  0.001730  0.835364  1
  Si  Si157  1  0.828932  0.338849  0.169286  1
  Si  Si158  1  0.833457  0.333554  0.500273  1
  Si  Si159  1  0.831909  0.335213  0.830488  1
  Si  Si160  1  0.833720  0.666993  0.166512  1
  Si  Si161  1  0.833891  0.667533  0.499731  1
  Si  Si162  1  0.833509  0.667911  0.832712  1
  Si  Si163  1  0.095243  0.071369  0.088294  1
  Si  Si164  1  0.084655  0.082673  0.418170  1
  Si  Si165  1  0.083487  0.083921  0.751011  1
  Si  Si166  1  0.080559  0.416018  0.082338  1
  Si  Si167  1  0.083866  0.416634  0.417006  1
  Si  Si168  1  0.083781  0.417311  0.749332  1
  Si  Si169  1  0.084010  0.749914  0.083383  1
  Si  Si170  1  0.084103  0.749230  0.417458  1
  Si  Si171  1  0.083693  0.750617  0.750407  1
  Si  Si172  1  0.417242  0.083238  0.083495  1
  Si  Si173  1  0.418339  0.083045  0.417963  1
  Si  Si174  1  0.416860  0.083649  0.750185  1
  Si  Si175  1  0.416262  0.416635  0.083182  1
  Si  Si176  1  0.416808  0.416713  0.415852  1
  Si  Si177  1  0.416473  0.417170  0.749967  1
  Si  Si178  1  0.418800  0.747905  0.083047  1
  Si  Si179  1  0.417270  0.749819  0.416740  1
  Si  Si180  1  0.417053  0.750332  0.749953  1
  Si  Si181  1  0.749181  0.084600  0.083186  1
  Si  Si182  1  0.750419  0.083510  0.417013  1
  Si  Si183  1  0.750909  0.083658  0.750484  1
  Si  Si184  1  0.748021  0.419546  0.081880  1
  Si  Si185  1  0.750456  0.416755  0.416489  1
  Si  Si186  1  0.748826  0.418078  0.747901  1
  Si  Si187  1  0.750255  0.750320  0.083282  1
  Si  Si188  1  0.750667  0.750409  0.416150  1
  Si  Si189  1  0.750181  0.751061  0.749737  1
  Si  Si190  1  0.166058  0.165639  0.001809  1
  Si  Si191  1  0.173089  0.164830  0.339231  1
  Si  Si192  1  0.166969  0.166798  0.667317  1
  Si  Si193  1  0.165684  0.499357  0.000042  1
  Si  Si194  1  0.166897  0.499548  0.333061  1
  Si  Si195  1  0.167346  0.500198  0.666381  1
  Si  Si196  1  0.167589  0.833096  0.000225  1
  Si  Si197  1  0.167919  0.831906  0.334482  1
  Si  Si198  1  0.167387  0.833344  0.667248  1
  Si  Si199  1  0.499981  0.166897  0.999820  1
  Si  Si200  1  0.500318  0.166793  0.333762  1
  Si  Si201  1  0.499722  0.166663  0.666190  1
  Si  Si202  1  0.499324  0.500461  0.999834  1
  Si  Si203  1  0.500430  0.499967  0.332909  1
  Si  Si204  1  0.500073  0.500287  0.666510  1
  Si  Si205  1  0.500271  0.833404  0.999984  1
  Si  Si206  1  0.501354  0.832835  0.333803  1
  Si  Si207  1  0.500633  0.833547  0.666775  1
  Si  Si208  1  0.824376  0.168952  0.993479  1
  Si  Si209  1  0.833692  0.167272  0.334053  1
  Si  Si210  1  0.833644  0.167055  0.666713  1
  Si  Si211  1  0.832742  0.502235  0.998377  1
  Si  Si212  1  0.834186  0.500033  0.333543  1
  Si  Si213  1  0.833233  0.501205  0.665370  1
  Si  Si214  1  0.833623  0.833639  0.000061  1
  Si  Si215  1  0.834087  0.833841  0.332989  1
  Si  Si216  1  0.834068  0.834440  0.667132  1
  S  S217  1  0.001878  0.208390  0.081737  1