# 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  0.259231  0.247995  0.090281  1
  Si  Si2  1  0.250072  0.249955  0.417084  1
  Si  Si3  1  0.249932  0.249663  0.749763  1
  Si  Si4  1  0.250042  0.583210  0.083670  1
  Si  Si5  1  0.249707  0.582456  0.416631  1
  Si  Si6  1  0.249671  0.583152  0.750721  1
  Si  Si7  1  0.251271  0.914572  0.085287  1
  Si  Si8  1  0.250456  0.915775  0.418400  1
  Si  Si9  1  0.249489  0.916994  0.750215  1
  Si  Si10  1  0.583690  0.250059  0.083914  1
  Si  Si11  1  0.584033  0.250459  0.417566  1
  Si  Si12  1  0.583349  0.250301  0.750148  1
  Si  Si13  1  0.583435  0.583567  0.083725  1
  Si  Si14  1  0.583086  0.583513  0.416984  1
  Si  Si15  1  0.582340  0.584200  0.749945  1
  Si  Si16  1  0.584355  0.916541  0.083919  1
  Si  Si17  1  0.583694  0.916725  0.417281  1
  Si  Si18  1  0.583288  0.917176  0.750756  1
  Si  Si19  1  0.917741  0.251328  0.081868  1
  Si  Si20  1  0.916743  0.250244  0.416362  1
  Si  Si21  1  0.910553  0.252073  0.744418  1
  Si  Si22  1  0.916115  0.583936  0.083489  1
  Si  Si23  1  0.916311  0.583589  0.416456  1
  Si  Si24  1  0.915736  0.585118  0.749115  1
  Si  Si25  1  0.917991  0.917491  0.083645  1
  Si  Si26  1  0.916553  0.916759  0.417262  1
  Si  Si27  1  0.916798  0.917449  0.750627  1
  Si  Si28  1  0.003127  0.000837  0.001496  1
  Si  Si29  1  0.000095  0.999710  0.334327  1
  Si  Si30  1  0.999918  0.000413  0.666750  1
  Si  Si31  1  0.988365  0.345701  0.995392  1
  Si  Si32  1  0.000215  0.333087  0.332580  1
  Si  Si33  1  0.998981  0.334432  0.665515  1
  Si  Si34  1  0.999745  0.667044  0.000292  1
  Si  Si35  1  0.000063  0.666282  0.333298  1
  Si  Si36  1  0.999697  0.667827  0.666242  1
  Si  Si37  1  0.335919  0.997159  0.001717  1
  Si  Si38  1  0.334925  0.998866  0.335896  1
  Si  Si39  1  0.333302  0.000249  0.667245  1
  Si  Si40  1  0.334427  0.332345  0.000512  1
  Si  Si41  1  0.332836  0.333262  0.333206  1
  Si  Si42  1  0.333250  0.333442  0.666859  1
  Si  Si43  1  0.333496  0.666593  0.000491  1
  Si  Si44  1  0.333621  0.665815  0.334046  1
  Si  Si45  1  0.333063  0.666521  0.667545  1
  Si  Si46  1  0.667421  0.000291  0.000549  1
  Si  Si47  1  0.667294  0.999821  0.333821  1
  Si  Si48  1  0.667011  0.000336  0.667777  1
  Si  Si49  1  0.666455  0.333657  0.000198  1
  Si  Si50  1  0.666857  0.333429  0.333484  1
  Si  Si51  1  0.665292  0.333910  0.665800  1
  Si  Si52  1  0.664899  0.669053  0.000728  1
  Si  Si53  1  0.666737  0.666700  0.333828  1
  Si  Si54  1  0.666420  0.667180  0.666956  1
  Si  Si55  1  0.251891  0.081739  0.253340  1
  Si  Si56  1  0.250216  0.083499  0.583609  1
  Si  Si57  1  0.254872  0.077809  0.914614  1
  Si  Si58  1  0.248854  0.415196  0.248364  1
  Si  Si59  1  0.249519  0.416770  0.583694  1
  Si  Si60  1  0.250418  0.416982  0.918433  1
  Si  Si61  1  0.250339  0.748959  0.251081  1
  Si  Si62  1  0.249840  0.749424  0.584019  1
  Si  Si63  1  0.250087  0.749898  0.917270  1
  Si  Si64  1  0.584332  0.083260  0.250677  1
  Si  Si65  1  0.583871  0.083560  0.584283  1
  Si  Si66  1  0.583798  0.083360  0.917264  1
  Si  Si67  1  0.583333  0.416786  0.250493  1
  Si  Si68  1  0.582267  0.417320  0.582972  1
  Si  Si69  1  0.583182  0.417035  0.916910  1
  Si  Si70  1  0.583642  0.749874  0.250510  1
  Si  Si71  1  0.583111  0.750330  0.583800  1
  Si  Si72  1  0.583006  0.751332  0.916859  1
  Si  Si73  1  0.917559  0.083682  0.250288  1
  Si  Si74  1  0.916265  0.083798  0.583369  1
  Si  Si75  1  0.919808  0.086036  0.917860  1
  Si  Si76  1  0.916606  0.416601  0.249522  1
  Si  Si77  1  0.916022  0.417639  0.582502  1
  Si  Si78  1  0.906705  0.426294  0.913864  1
  Si  Si79  1  0.916546  0.749959  0.250518  1
  Si  Si80  1  0.916216  0.750818  0.583417  1
  Si  Si81  1  0.916588  0.750505  0.916981  1
  Si  Si82  1  0.001806  0.165556  0.165912  1
  Si  Si83  1  0.999786  0.166911  0.499979  1
  Si  Si84  1  0.993451  0.168949  0.824483  1
  Si  Si85  1  0.000070  0.499403  0.165654  1
  Si  Si86  1  0.999784  0.500399  0.499284  1
  Si  Si87  1  0.998398  0.502332  0.832407  1
  Si  Si88  1  0.000182  0.832985  0.167611  1
  Si  Si89  1  1.000000  0.833351  0.500238  1
  Si  Si90  1  0.000029  0.833698  0.833653  1
  Si  Si91  1  0.339244  0.164788  0.173147  1
  Si  Si92  1  0.333603  0.166755  0.500366  1
  Si  Si93  1  0.333879  0.167242  0.833758  1
  Si  Si94  1  0.333100  0.499485  0.166880  1
  Si  Si95  1  0.333003  0.499808  0.500370  1
  Si  Si96  1  0.333437  0.499941  0.834215  1
  Si  Si97  1  0.334579  0.831790  0.167962  1
  Si  Si98  1  0.333748  0.832748  0.501376  1
  Si  Si99  1  0.332942  0.833783  0.834006  1
  Si  Si100  1  0.667266  0.166737  0.166968  1
  Si  Si101  1  0.666123  0.166565  0.499676  1
  Si  Si102  1  0.666634  0.167012  0.833636  1
  Si  Si103  1  0.666447  0.500198  0.167186  1
  Si  Si104  1  0.666418  0.500276  0.500020  1
  Si  Si105  1  0.665349  0.501169  0.833227  1
  Si  Si106  1  0.667197  0.833361  0.167391  1
  Si  Si107  1  0.666762  0.833496  0.500610  1
  Si  Si108  1  0.667076  0.834483  0.833971  1
  Si  Si109  1  0.083745  0.249103  0.249871  1
  Si  Si110  1  0.082840  0.250605  0.583147  1
  Si  Si111  1  0.060958  0.274072  0.892735  1
  Si  Si112  1  0.083046  0.582798  0.249641  1
  Si  Si113  1  0.082583  0.583930  0.583008  1
  Si  Si114  1  0.082746  0.583851  0.916629  1
  Si  Si115  1  0.082894  0.910989  0.256381  1
  Si  Si116  1  0.083145  0.916746  0.583572  1
  Si  Si117  1  0.083675  0.916179  0.917494  1
  Si  Si118  1  0.420115  0.249981  0.254072  1
  Si  Si119  1  0.416749  0.250189  0.583681  1
  Si  Si120  1  0.417674  0.249692  0.917154  1
  Si  Si121  1  0.416610  0.582674  0.250394  1
  Si  Si122  1  0.416077  0.583528  0.583635  1
  Si  Si123  1  0.416927  0.583562  0.917150  1
  Si  Si124  1  0.417409  0.916143  0.250989  1
  Si  Si125  1  0.416873  0.916623  0.584403  1
  Si  Si126  1  0.418137  0.915213  0.917596  1
  Si  Si127  1  0.750337  0.250308  0.250189  1
  Si  Si128  1  0.748003  0.250900  0.581529  1
  Si  Si129  1  0.749852  0.250680  0.916664  1
  Si  Si130  1  0.749912  0.583529  0.250249  1
  Si  Si131  1  0.749513  0.583995  0.583203  1
  Si  Si132  1  0.746357  0.587177  0.916246  1
  Si  Si133  1  0.750659  0.916866  0.250274  1
  Si  Si134  1  0.749861  0.917213  0.583848  1
  Si  Si135  1  0.751175  0.917694  0.917063  1
  Si  Si136  1  0.169832  0.990601  0.176988  1
  Si  Si137  1  0.166786  0.999953  0.500534  1
  Si  Si138  1  0.165228  0.999902  0.833211  1
  Si  Si139  1  0.165856  0.330890  0.163903  1
  Si  Si140  1  0.166432  0.333590  0.499874  1
  Si  Si141  1  0.169072  0.339050  0.828795  1
  Si  Si142  1  0.166733  0.666443  0.167082  1
  Si  Si143  1  0.166830  0.665629  0.500673  1
  Si  Si144  1  0.166436  0.667014  0.833616  1
  Si  Si145  1  0.501161  0.999312  0.167682  1
  Si  Si146  1  0.500762  0.999729  0.501418  1
  Si  Si147  1  0.499945  0.000202  0.834205  1
  Si  Si148  1  0.500303  0.333158  0.167447  1
  Si  Si149  1  0.499476  0.333459  0.499858  1
  Si  Si150  1  0.500092  0.333507  0.833522  1
  Si  Si151  1  0.500288  0.666112  0.167488  1
  Si  Si152  1  0.499914  0.666666  0.500608  1
  Si  Si153  1  0.499685  0.667510  0.833856  1
  Si  Si154  1  0.834095  0.000321  0.167064  1
  Si  Si155  1  0.833245  0.000168  0.500348  1
  Si  Si156  1  0.835373  0.001757  0.834893  1
  Si  Si157  1  0.833385  0.333211  0.166117  1
  Si  Si158  1  0.833035  0.333681  0.499338  1
  Si  Si159  1  0.830393  0.335154  0.831767  1
  Si  Si160  1  0.833211  0.666972  0.167122  1
  Si  Si161  1  0.833222  0.667048  0.500055  1
  Si  Si162  1  0.832628  0.667965  0.833365  1
  Si  Si163  1  0.088313  0.071181  0.095315  1
  Si  Si164  1  0.083487  0.083298  0.417243  1
  Si  Si165  1  0.083149  0.084593  0.749234  1
  Si  Si166  1  0.082205  0.416055  0.080542  1
  Si  Si167  1  0.083127  0.416639  0.416223  1
  Si  Si168  1  0.081975  0.419742  0.747755  1
  Si  Si169  1  0.083371  0.749877  0.083967  1
  Si  Si170  1  0.082977  0.747890  0.418724  1
  Si  Si171  1  0.083215  0.750357  0.750219  1
  Si  Si172  1  0.418157  0.082485  0.084690  1
  Si  Si173  1  0.417905  0.083101  0.418408  1
  Si  Si174  1  0.416852  0.083565  0.750460  1
  Si  Si175  1  0.416940  0.416500  0.083751  1
  Si  Si176  1  0.415973  0.416625  0.416687  1
  Si  Si177  1  0.416433  0.416745  0.750431  1
  Si  Si178  1  0.417466  0.749110  0.084026  1
  Si  Si179  1  0.416695  0.749734  0.417276  1
  Si  Si180  1  0.416158  0.750440  0.750630  1
  Si  Si181  1  0.751042  0.083874  0.083475  1
  Si  Si182  1  0.750232  0.083582  0.416904  1
  Si  Si183  1  0.750522  0.083677  0.750917  1
  Si  Si184  1  0.749344  0.417226  0.083629  1
  Si  Si185  1  0.749889  0.417187  0.416443  1
  Si  Si186  1  0.747866  0.418070  0.748785  1
  Si  Si187  1  0.750339  0.750632  0.083659  1
  Si  Si188  1  0.749936  0.750319  0.417000  1
  Si  Si189  1  0.749617  0.751068  0.750068  1
  Si  Si190  1  0.190994  0.142823  0.022771  1
  Si  Si191  1  0.167033  0.166280  0.333858  1
  Si  Si192  1  0.166518  0.167237  0.665990  1
  Si  Si193  1  0.166197  0.500725  0.000010  1
  Si  Si194  1  0.166643  0.499234  0.332515  1
  Si  Si195  1  0.166105  0.501722  0.665500  1
  Si  Si196  1  0.167051  0.833038  0.000945  1
  Si  Si197  1  0.167493  0.829781  0.337335  1
  Si  Si198  1  0.166547  0.833375  0.666751  1
  Si  Si199  1  0.500540  0.166346  0.000863  1
  Si  Si200  1  0.502183  0.166095  0.335687  1
  Si  Si201  1  0.500065  0.166861  0.667001  1
  Si  Si202  1  0.500138  0.500186  0.000521  1
  Si  Si203  1  0.499874  0.499793  0.333853  1
  Si  Si204  1  0.499263  0.500371  0.666855  1
  Si  Si205  1  0.500648  0.833021  0.001093  1
  Si  Si206  1  0.500482  0.832958  0.334184  1
  Si  Si207  1  0.500074  0.833469  0.667624  1
  Si  Si208  1  0.833801  0.167793  0.999930  1
  Si  Si209  1  0.833535  0.166630  0.333365  1
  Si  Si210  1  0.829598  0.166929  0.663532  1
  Si  Si211  1  0.827327  0.505920  0.000795  1
  Si  Si212  1  0.833439  0.500070  0.333003  1
  Si  Si213  1  0.832699  0.500807  0.666250  1
  Si  Si214  1  0.833997  0.834095  0.000666  1
  Si  Si215  1  0.833493  0.833479  0.333768  1
  Si  Si216  1  0.833282  0.834253  0.667104  1
  S  S217  1  0.081503  0.208544  0.002284  1