# 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  0.262117  0.245030  0.095327  1
  Si  Si2  1  0.250042  0.249796  0.417290  1
  Si  Si3  1  0.248723  0.250101  0.749296  1
  Si  Si4  1  0.249436  0.582238  0.083523  1
  Si  Si5  1  0.249716  0.583104  0.416913  1
  Si  Si6  1  0.249538  0.582801  0.750935  1
  Si  Si7  1  0.250816  0.915119  0.084733  1
  Si  Si8  1  0.250227  0.915336  0.418408  1
  Si  Si9  1  0.249797  0.916347  0.750496  1
  Si  Si10  1  0.583403  0.249948  0.084047  1
  Si  Si11  1  0.585394  0.250321  0.418813  1
  Si  Si12  1  0.582971  0.250138  0.750270  1
  Si  Si13  1  0.582705  0.582912  0.083704  1
  Si  Si14  1  0.582959  0.583421  0.417075  1
  Si  Si15  1  0.582168  0.583625  0.750106  1
  Si  Si16  1  0.584142  0.915855  0.084094  1
  Si  Si17  1  0.583568  0.916659  0.417324  1
  Si  Si18  1  0.582888  0.917115  0.750718  1
  Si  Si19  1  0.917311  0.250994  0.080526  1
  Si  Si20  1  0.916714  0.250220  0.416297  1
  Si  Si21  1  0.913642  0.251345  0.747952  1
  Si  Si22  1  0.916035  0.583969  0.083715  1
  Si  Si23  1  0.916065  0.583415  0.416440  1
  Si  Si24  1  0.915224  0.585451  0.748808  1
  Si  Si25  1  0.916728  0.916310  0.083829  1
  Si  Si26  1  0.916668  0.917408  0.416744  1
  Si  Si27  1  0.916513  0.916881  0.750451  1
  Si  Si28  1  0.000861  0.998828  0.000504  1
  Si  Si29  1  0.000037  0.000550  0.333217  1
  Si  Si30  1  0.999825  0.000098  0.666859  1
  Si  Si31  1  0.987721  0.344893  0.995437  1
  Si  Si32  1  0.000225  0.333096  0.332553  1
  Si  Si33  1  0.998845  0.334352  0.665524  1
  Si  Si34  1  0.999583  0.666862  0.000192  1
  Si  Si35  1  0.999889  0.666474  0.333501  1
  Si  Si36  1  0.999293  0.668028  0.665721  1
  Si  Si37  1  0.336125  0.997422  0.001792  1
  Si  Si38  1  0.334415  0.998407  0.335903  1
  Si  Si39  1  0.333033  0.000036  0.667310  1
  Si  Si40  1  0.332435  0.330200  0.001456  1
  Si  Si41  1  0.333626  0.333323  0.334439  1
  Si  Si42  1  0.332813  0.333434  0.666727  1
  Si  Si43  1  0.332920  0.665925  0.000537  1
  Si  Si44  1  0.333434  0.666108  0.333775  1
  Si  Si45  1  0.332929  0.666337  0.667843  1
  Si  Si46  1  0.666624  0.999844  0.000486  1
  Si  Si47  1  0.667468  0.999770  0.334051  1
  Si  Si48  1  0.666701  0.000307  0.667569  1
  Si  Si49  1  0.666178  0.333645  0.000312  1
  Si  Si50  1  0.666941  0.333321  0.333307  1
  Si  Si51  1  0.665543  0.333681  0.666290  1
  Si  Si52  1  0.664215  0.668452  0.000719  1
  Si  Si53  1  0.666596  0.666650  0.333832  1
  Si  Si54  1  0.665951  0.666955  0.666960  1
  Si  Si55  1  0.251559  0.081437  0.253352  1
  Si  Si56  1  0.249772  0.083012  0.583655  1
  Si  Si57  1  0.255449  0.078451  0.914690  1
  Si  Si58  1  0.249672  0.415747  0.250371  1
  Si  Si59  1  0.249457  0.417061  0.583347  1
  Si  Si60  1  0.247235  0.413562  0.917876  1
  Si  Si61  1  0.249980  0.748991  0.250625  1
  Si  Si62  1  0.249741  0.749396  0.584342  1
  Si  Si63  1  0.249855  0.749524  0.917282  1
  Si  Si64  1  0.584318  0.083001  0.251121  1
  Si  Si65  1  0.583816  0.083519  0.584104  1
  Si  Si66  1  0.583336  0.083249  0.917312  1
  Si  Si67  1  0.583316  0.416785  0.250530  1
  Si  Si68  1  0.582411  0.417050  0.583573  1
  Si  Si69  1  0.582779  0.416792  0.917000  1
  Si  Si70  1  0.583466  0.749710  0.250507  1
  Si  Si71  1  0.582890  0.750262  0.583797  1
  Si  Si72  1  0.581952  0.750332  0.916918  1
  Si  Si73  1  0.918115  0.084500  0.248409  1
  Si  Si74  1  0.916526  0.083831  0.583725  1
  Si  Si75  1  0.916157  0.082816  0.918499  1
  Si  Si76  1  0.916688  0.416623  0.249531  1
  Si  Si77  1  0.915604  0.417319  0.582537  1
  Si  Si78  1  0.907038  0.426624  0.914023  1
  Si  Si79  1  0.916570  0.749989  0.250547  1
  Si  Si80  1  0.915913  0.751063  0.582954  1
  Si  Si81  1  0.916246  0.750124  0.916904  1
  Si  Si82  1  0.002452  0.167451  0.163933  1
  Si  Si83  1  0.999745  0.166898  0.499887  1
  Si  Si84  1  0.994308  0.164120  0.828941  1
  Si  Si85  1  0.000056  0.499900  0.166125  1
  Si  Si86  1  0.999556  0.500313  0.499335  1
  Si  Si87  1  0.998104  0.502947  0.831825  1
  Si  Si88  1  0.000167  0.833054  0.167446  1
  Si  Si89  1  0.999781  0.833886  0.499847  1
  Si  Si90  1  0.999754  0.833235  0.833459  1
  Si  Si91  1  0.342699  0.163559  0.177073  1
  Si  Si92  1  0.333327  0.166497  0.500587  1
  Si  Si93  1  0.333416  0.168107  0.833323  1
  Si  Si94  1  0.332958  0.499241  0.167091  1
  Si  Si95  1  0.333115  0.500151  0.500363  1
  Si  Si96  1  0.331503  0.498030  0.834891  1
  Si  Si97  1  0.334045  0.832141  0.167670  1
  Si  Si98  1  0.333550  0.832560  0.501472  1
  Si  Si99  1  0.333123  0.833311  0.834246  1
  Si  Si100  1  0.666850  0.166623  0.167112  1
  Si  Si101  1  0.667665  0.166526  0.500723  1
  Si  Si102  1  0.666252  0.166901  0.833627  1
  Si  Si103  1  0.666360  0.500115  0.167147  1
  Si  Si104  1  0.666128  0.500122  0.500151  1
  Si  Si105  1  0.665351  0.500760  0.833355  1
  Si  Si106  1  0.667239  0.833113  0.167469  1
  Si  Si107  1  0.666624  0.833481  0.500593  1
  Si  Si108  1  0.665794  0.833625  0.833877  1
  Si  Si109  1  0.084260  0.249553  0.249848  1
  Si  Si110  1  0.082711  0.250422  0.583243  1
  Si  Si111  1  0.059164  0.272489  0.892574  1
  Si  Si112  1  0.083006  0.582910  0.250231  1
  Si  Si113  1  0.082376  0.585313  0.581525  1
  Si  Si114  1  0.082624  0.583468  0.916712  1
  Si  Si115  1  0.083343  0.913283  0.254059  1
  Si  Si116  1  0.083095  0.916554  0.583714  1
  Si  Si117  1  0.083541  0.915616  0.917166  1
  Si  Si118  1  0.422288  0.250442  0.256493  1
  Si  Si119  1  0.416503  0.250134  0.583649  1
  Si  Si120  1  0.417155  0.249695  0.917550  1
  Si  Si121  1  0.416452  0.582673  0.250321  1
  Si  Si122  1  0.416042  0.583417  0.583995  1
  Si  Si123  1  0.415572  0.582167  0.917135  1
  Si  Si124  1  0.417174  0.915889  0.251058  1
  Si  Si125  1  0.416676  0.916421  0.584489  1
  Si  Si126  1  0.418060  0.915181  0.917644  1
  Si  Si127  1  0.750513  0.250296  0.249681  1
  Si  Si128  1  0.749405  0.250700  0.583095  1
  Si  Si129  1  0.749367  0.250561  0.916709  1
  Si  Si130  1  0.749797  0.583404  0.250304  1
  Si  Si131  1  0.749213  0.583845  0.583275  1
  Si  Si132  1  0.746099  0.587071  0.916226  1
  Si  Si133  1  0.750658  0.916766  0.250431  1
  Si  Si134  1  0.749733  0.917309  0.583677  1
  Si  Si135  1  0.749683  0.916400  0.917186  1
  Si  Si136  1  0.168525  0.994139  0.173060  1
  Si  Si137  1  0.166544  0.999664  0.500339  1
  Si  Si138  1  0.166137  0.999353  0.833808  1
  Si  Si139  1  0.167798  0.331540  0.165962  1
  Si  Si140  1  0.166356  0.333504  0.499981  1
  Si  Si141  1  0.164392  0.339959  0.824390  1
  Si  Si142  1  0.166505  0.666011  0.166933  1
  Si  Si143  1  0.166698  0.667214  0.499683  1
  Si  Si144  1  0.166211  0.666710  0.833601  1
  Si  Si145  1  0.501467  0.998795  0.167982  1
  Si  Si146  1  0.500533  0.999596  0.501429  1
  Si  Si147  1  0.499510  0.000362  0.834047  1
  Si  Si148  1  0.500256  0.333151  0.167637  1
  Si  Si149  1  0.499932  0.333339  0.500305  1
  Si  Si150  1  0.499621  0.333353  0.833648  1
  Si  Si151  1  0.499999  0.666117  0.167385  1
  Si  Si152  1  0.499699  0.666555  0.500668  1
  Si  Si153  1  0.498846  0.666224  0.834029  1
  Si  Si154  1  0.833835  0.000308  0.166879  1
  Si  Si155  1  0.833431  0.000382  0.500372  1
  Si  Si156  1  0.833240  0.999895  0.834152  1
  Si  Si157  1  0.833927  0.333238  0.165578  1
  Si  Si158  1  0.832843  0.333586  0.499319  1
  Si  Si159  1  0.830988  0.334967  0.832571  1
  Si  Si160  1  0.833108  0.666949  0.167243  1
  Si  Si161  1  0.832939  0.666943  0.499975  1
  Si  Si162  1  0.832099  0.668050  0.833132  1
  Si  Si163  1  0.085219  0.074084  0.090189  1
  Si  Si164  1  0.083409  0.083247  0.417100  1
  Si  Si165  1  0.083664  0.083245  0.749880  1
  Si  Si166  1  0.082059  0.415549  0.081965  1
  Si  Si167  1  0.083029  0.416521  0.416415  1
  Si  Si168  1  0.081158  0.422797  0.744406  1
  Si  Si169  1  0.083216  0.749597  0.083930  1
  Si  Si170  1  0.082844  0.749299  0.417619  1
  Si  Si171  1  0.082937  0.749924  0.750102  1
  Si  Si172  1  0.418677  0.082119  0.085364  1
  Si  Si173  1  0.417531  0.082817  0.418462  1
  Si  Si174  1  0.416293  0.083785  0.750327  1
  Si  Si175  1  0.415752  0.415308  0.083718  1
  Si  Si176  1  0.416587  0.416809  0.417393  1
  Si  Si177  1  0.415745  0.416458  0.750728  1
  Si  Si178  1  0.416780  0.748892  0.083938  1
  Si  Si179  1  0.416554  0.749616  0.417343  1
  Si  Si180  1  0.416178  0.749935  0.750837  1
  Si  Si181  1  0.750016  0.083228  0.083725  1
  Si  Si182  1  0.750850  0.083658  0.416649  1
  Si  Si183  1  0.750105  0.083688  0.750728  1
  Si  Si184  1  0.749402  0.417205  0.083487  1
  Si  Si185  1  0.749594  0.417009  0.416546  1
  Si  Si186  1  0.748236  0.417582  0.749211  1
  Si  Si187  1  0.749733  0.749853  0.083778  1
  Si  Si188  1  0.749813  0.750323  0.416948  1
  Si  Si189  1  0.749046  0.750975  0.749921  1
  Si  Si190  1  0.190484  0.142297  0.022841  1
  Si  Si191  1  0.167029  0.166328  0.333842  1
  Si  Si192  1  0.166049  0.166732  0.666087  1
  Si  Si193  1  0.165450  0.499523  0.999951  1
  Si  Si194  1  0.166656  0.499759  0.333401  1
  Si  Si195  1  0.166302  0.503740  0.663517  1
  Si  Si196  1  0.166886  0.832822  0.000862  1
  Si  Si197  1  0.167152  0.831144  0.335655  1
  Si  Si198  1  0.166403  0.833244  0.666983  1
  Si  Si199  1  0.500226  0.166317  0.000973  1
  Si  Si200  1  0.503518  0.165863  0.337403  1
  Si  Si201  1  0.499879  0.166838  0.666848  1
  Si  Si202  1  0.499121  0.499340  0.000687  1
  Si  Si203  1  0.499825  0.499867  0.333787  1
  Si  Si204  1  0.498941  0.499990  0.667179  1
  Si  Si205  1  0.500247  0.832689  0.001096  1
  Si  Si206  1  0.500366  0.832845  0.334232  1
  Si  Si207  1  0.499790  0.833276  0.667698  1
  Si  Si208  1  0.832489  0.167134  0.000048  1
  Si  Si209  1  0.834090  0.166775  0.332540  1
  Si  Si210  1  0.831643  0.167278  0.665591  1
  Si  Si211  1  0.827350  0.506093  0.000749  1
  Si  Si212  1  0.833163  0.499851  0.333028  1
  Si  Si213  1  0.832457  0.500666  0.666276  1
  Si  Si214  1  0.833059  0.833193  0.000484  1
  Si  Si215  1  0.833569  0.833553  0.333808  1
  Si  Si216  1  0.832843  0.834107  0.666799  1
  S  S217  1  0.125180  0.251873  0.001852  1