# generated using pymatgen
data_Si216As
_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   Si216As
_chemical_formula_sum   'Si216 As1'
_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  0.253775  0.250834  0.084116  1
  Si  Si2  1  0.250899  0.250530  0.417550  1
  Si  Si3  1  0.251517  0.249892  0.748569  1
  Si  Si4  1  0.250927  0.584289  0.083829  1
  Si  Si5  1  0.250297  0.583137  0.416426  1
  Si  Si6  1  0.250438  0.583846  0.750183  1
  Si  Si7  1  0.251504  0.915303  0.083180  1
  Si  Si8  1  0.250442  0.916896  0.417135  1
  Si  Si9  1  0.250299  0.915788  0.749057  1
  Si  Si10  1  0.583188  0.250316  0.083615  1
  Si  Si11  1  0.583226  0.250238  0.417327  1
  Si  Si12  1  0.583175  0.250211  0.749612  1
  Si  Si13  1  0.583237  0.584047  0.083538  1
  Si  Si14  1  0.583452  0.583549  0.416868  1
  Si  Si15  1  0.583549  0.583743  0.750045  1
  Si  Si16  1  0.583182  0.916314  0.083501  1
  Si  Si17  1  0.583537  0.916726  0.417066  1
  Si  Si18  1  0.583780  0.916796  0.750103  1
  Si  Si19  1  0.906005  0.252522  0.085749  1
  Si  Si20  1  0.916675  0.250185  0.417350  1
  Si  Si21  1  0.915877  0.250293  0.748258  1
  Si  Si22  1  0.916689  0.584052  0.083491  1
  Si  Si23  1  0.916865  0.584365  0.417642  1
  Si  Si24  1  0.916447  0.584144  0.749207  1
  Si  Si25  1  0.915886  0.914993  0.083594  1
  Si  Si26  1  0.916415  0.915892  0.417422  1
  Si  Si27  1  0.916754  0.917404  0.750681  1
  Si  Si28  1  0.999489  0.996510  0.999444  1
  Si  Si29  1  0.000403  0.998871  0.334980  1
  Si  Si30  1  0.999867  0.999386  0.665944  1
  Si  Si31  1  0.997715  0.344371  0.997910  1
  Si  Si32  1  0.000052  0.334403  0.335236  1
  Si  Si33  1  0.000176  0.333685  0.666245  1
  Si  Si34  1  0.000055  0.667104  0.000096  1
  Si  Si35  1  0.000225  0.667139  0.334043  1
  Si  Si36  1  0.000196  0.667056  0.666320  1
  Si  Si37  1  0.334977  0.998835  0.000346  1
  Si  Si38  1  0.334529  0.000052  0.334473  1
  Si  Si39  1  0.333464  0.999915  0.666427  1
  Si  Si40  1  0.335348  0.334435  0.000060  1
  Si  Si41  1  0.332975  0.333700  0.333018  1
  Si  Si42  1  0.334464  0.333960  0.666162  1
  Si  Si43  1  0.334081  0.667080  0.000169  1
  Si  Si44  1  0.333662  0.666716  0.333596  1
  Si  Si45  1  0.333765  0.666876  0.666677  1
  Si  Si46  1  0.666025  0.999459  0.999866  1
  Si  Si47  1  0.666507  0.999937  0.333412  1
  Si  Si48  1  0.667274  0.000232  0.667249  1
  Si  Si49  1  0.666227  0.333661  0.000202  1
  Si  Si50  1  0.666195  0.333985  0.334488  1
  Si  Si51  1  0.665980  0.333490  0.665964  1
  Si  Si52  1  0.666356  0.667055  0.000132  1
  Si  Si53  1  0.666697  0.666957  0.333717  1
  Si  Si54  1  0.666955  0.667051  0.666962  1
  Si  Si55  1  0.252005  0.084530  0.252054  1
  Si  Si56  1  0.250475  0.083488  0.583158  1
  Si  Si57  1  0.253923  0.078576  0.911841  1
  Si  Si58  1  0.248849  0.415635  0.248917  1
  Si  Si59  1  0.250426  0.417121  0.583444  1
  Si  Si60  1  0.252014  0.418764  0.917820  1
  Si  Si61  1  0.250449  0.750178  0.250413  1
  Si  Si62  1  0.250437  0.749696  0.583005  1
  Si  Si63  1  0.250484  0.749888  0.916790  1
  Si  Si64  1  0.583261  0.083505  0.250400  1
  Si  Si65  1  0.583929  0.083376  0.583879  1
  Si  Si66  1  0.583187  0.083231  0.916546  1
  Si  Si67  1  0.583506  0.417095  0.250381  1
  Si  Si68  1  0.582961  0.417028  0.582950  1
  Si  Si69  1  0.583271  0.417121  0.916794  1
  Si  Si70  1  0.582960  0.749663  0.250356  1
  Si  Si71  1  0.583652  0.750204  0.583539  1
  Si  Si72  1  0.583936  0.750584  0.916665  1
  Si  Si73  1  0.911866  0.078579  0.253957  1
  Si  Si74  1  0.916508  0.083335  0.583292  1
  Si  Si75  1  0.918668  0.085382  0.918675  1
  Si  Si76  1  0.917708  0.418762  0.252048  1
  Si  Si77  1  0.916837  0.417145  0.583240  1
  Si  Si78  1  0.911873  0.420649  0.911866  1
  Si  Si79  1  0.916822  0.749949  0.250452  1
  Si  Si80  1  0.916709  0.750682  0.583978  1
  Si  Si81  1  0.916562  0.750083  0.916659  1
  Si  Si82  1  0.997738  0.164596  0.177658  1
  Si  Si83  1  0.000026  0.166785  0.500386  1
  Si  Si84  1  0.999473  0.166141  0.829787  1
  Si  Si85  1  0.000065  0.501942  0.167709  1
  Si  Si86  1  0.000214  0.500741  0.500413  1
  Si  Si87  1  0.000426  0.501686  0.832177  1
  Si  Si88  1  0.000167  0.832959  0.166991  1
  Si  Si89  1  0.000174  0.833035  0.500350  1
  Si  Si90  1  0.999890  0.832693  0.832659  1
  Si  Si91  1  0.335330  0.166760  0.167716  1
  Si  Si92  1  0.334062  0.166884  0.500345  1
  Si  Si93  1  0.334997  0.167070  0.832119  1
  Si  Si94  1  0.332989  0.499739  0.166999  1
  Si  Si95  1  0.333659  0.500296  0.500007  1
  Si  Si96  1  0.334524  0.501186  0.833338  1
  Si  Si97  1  0.334474  0.832879  0.167242  1
  Si  Si98  1  0.333754  0.833373  0.500186  1
  Si  Si99  1  0.333463  0.833135  0.833198  1
  Si  Si100  1  0.666239  0.166906  0.166966  1
  Si  Si101  1  0.666348  0.166833  0.500342  1
  Si  Si102  1  0.665992  0.166553  0.832747  1
  Si  Si103  1  0.666202  0.501187  0.167280  1
  Si  Si104  1  0.666707  0.500400  0.500268  1
  Si  Si105  1  0.666544  0.500115  0.833251  1
  Si  Si106  1  0.665976  0.832686  0.166817  1
  Si  Si107  1  0.666931  0.833627  0.500361  1
  Si  Si108  1  0.667291  0.833956  0.833545  1
  Si  Si109  1  0.083983  0.250738  0.253547  1
  Si  Si110  1  0.083610  0.250358  0.583220  1
  Si  Si111  1  0.085592  0.252406  0.905617  1
  Si  Si112  1  0.083816  0.584232  0.250969  1
  Si  Si113  1  0.083608  0.584008  0.583204  1
  Si  Si114  1  0.083445  0.584097  0.916674  1
  Si  Si115  1  0.083213  0.915334  0.251491  1
  Si  Si116  1  0.083547  0.916300  0.583115  1
  Si  Si117  1  0.083640  0.914925  0.915900  1
  Si  Si118  1  0.417555  0.250527  0.250996  1
  Si  Si119  1  0.417312  0.250218  0.583219  1
  Si  Si120  1  0.417348  0.250163  0.916640  1
  Si  Si121  1  0.416412  0.583068  0.250219  1
  Si  Si122  1  0.416967  0.583566  0.583395  1
  Si  Si123  1  0.417612  0.584234  0.916821  1
  Si  Si124  1  0.417183  0.916870  0.250398  1
  Si  Si125  1  0.417123  0.916671  0.583461  1
  Si  Si126  1  0.417435  0.915839  0.916351  1
  Si  Si127  1  0.748591  0.249944  0.251497  1
  Si  Si128  1  0.749583  0.250237  0.583108  1
  Si  Si129  1  0.748320  0.250262  0.916010  1
  Si  Si130  1  0.750190  0.583891  0.250450  1
  Si  Si131  1  0.750057  0.583774  0.583546  1
  Si  Si132  1  0.749227  0.584128  0.916396  1
  Si  Si133  1  0.749048  0.915748  0.250254  1
  Si  Si134  1  0.750200  0.916890  0.583756  1
  Si  Si135  1  0.750608  0.917382  0.916731  1
  Si  Si136  1  0.171726  0.996319  0.171673  1
  Si  Si137  1  0.166878  0.999966  0.500305  1
  Si  Si138  1  0.165792  0.998218  0.831479  1
  Si  Si139  1  0.164924  0.331640  0.164902  1
  Si  Si140  1  0.167075  0.333831  0.500308  1
  Si  Si141  1  0.171745  0.338397  0.829595  1
  Si  Si142  1  0.167089  0.667028  0.167130  1
  Si  Si143  1  0.167132  0.666469  0.499771  1
  Si  Si144  1  0.166896  0.667037  0.833247  1
  Si  Si145  1  0.500362  0.999940  0.166842  1
  Si  Si146  1  0.500687  0.000095  0.500640  1
  Si  Si147  1  0.500143  0.999891  0.833198  1
  Si  Si148  1  0.500306  0.333794  0.167096  1
  Si  Si149  1  0.499715  0.333740  0.499723  1
  Si  Si150  1  0.500365  0.333557  0.833235  1
  Si  Si151  1  0.499731  0.666435  0.167054  1
  Si  Si152  1  0.500327  0.666910  0.500238  1
  Si  Si153  1  0.500695  0.667321  0.833400  1
  Si  Si154  1  0.831480  0.998256  0.165822  1
  Si  Si155  1  0.833292  0.999993  0.500113  1
  Si  Si156  1  0.834701  0.001441  0.834732  1
  Si  Si157  1  0.829587  0.338399  0.171684  1
  Si  Si158  1  0.833280  0.333583  0.500345  1
  Si  Si159  1  0.831476  0.332522  0.831526  1
  Si  Si160  1  0.833273  0.667046  0.166899  1
  Si  Si161  1  0.833423  0.667425  0.500739  1
  Si  Si162  1  0.833355  0.666867  0.833326  1
  Si  Si163  1  0.085588  0.072354  0.085707  1
  Si  Si164  1  0.083419  0.083385  0.417381  1
  Si  Si165  1  0.083621  0.082630  0.748184  1
  Si  Si166  1  0.083992  0.420292  0.084010  1
  Si  Si167  1  0.083805  0.417684  0.417504  1
  Si  Si168  1  0.083223  0.418204  0.748607  1
  Si  Si169  1  0.083626  0.749955  0.083663  1
  Si  Si170  1  0.083613  0.749924  0.417322  1
  Si  Si171  1  0.083565  0.749841  0.749575  1
  Si  Si172  1  0.417335  0.083348  0.083457  1
  Si  Si173  1  0.417611  0.083523  0.417527  1
  Si  Si174  1  0.417441  0.083053  0.749130  1
  Si  Si175  1  0.417563  0.417707  0.083830  1
  Si  Si176  1  0.416401  0.416908  0.416360  1
  Si  Si177  1  0.417171  0.417108  0.750166  1
  Si  Si178  1  0.417340  0.749934  0.083518  1
  Si  Si179  1  0.416967  0.750088  0.416883  1
  Si  Si180  1  0.417124  0.750147  0.749984  1
  Si  Si181  1  0.748349  0.082742  0.083560  1
  Si  Si182  1  0.749183  0.083083  0.417397  1
  Si  Si183  1  0.750579  0.083426  0.750669  1
  Si  Si184  1  0.748590  0.418208  0.083216  1
  Si  Si185  1  0.750199  0.417145  0.417194  1
  Si  Si186  1  0.749056  0.416951  0.749018  1
  Si  Si187  1  0.749576  0.749825  0.083553  1
  Si  Si188  1  0.750038  0.750224  0.417094  1
  Si  Si189  1  0.750223  0.750453  0.750220  1
  Si  Si190  1  0.177940  0.164644  0.997892  1
  Si  Si191  1  0.167612  0.166795  0.335287  1
  Si  Si192  1  0.167018  0.166884  0.666139  1
  Si  Si193  1  0.167635  0.502015  0.000088  1
  Si  Si194  1  0.167024  0.499788  0.333073  1
  Si  Si195  1  0.167302  0.501143  0.666187  1
  Si  Si196  1  0.167020  0.832877  0.000174  1
  Si  Si197  1  0.167305  0.832903  0.334438  1
  Si  Si198  1  0.166851  0.832719  0.665987  1
  Si  Si199  1  0.500309  0.166729  0.000040  1
  Si  Si200  1  0.500472  0.166870  0.334022  1
  Si  Si201  1  0.500406  0.166829  0.666314  1
  Si  Si202  1  0.500475  0.500730  0.000176  1
  Si  Si203  1  0.500040  0.500256  0.333562  1
  Si  Si204  1  0.500286  0.500388  0.666706  1
  Si  Si205  1  0.500417  0.833028  0.000116  1
  Si  Si206  1  0.500269  0.833398  0.333711  1
  Si  Si207  1  0.500418  0.833518  0.666838  1
  Si  Si208  1  0.830080  0.166330  0.999590  1
  Si  Si209  1  0.832140  0.167125  0.334979  1
  Si  Si210  1  0.832582  0.166575  0.666030  1
  Si  Si211  1  0.832164  0.501672  0.000410  1
  Si  Si212  1  0.833370  0.501283  0.334583  1
  Si  Si213  1  0.833283  0.500146  0.666519  1
  Si  Si214  1  0.832593  0.832752  0.999906  1
  Si  Si215  1  0.833245  0.833209  0.333445  1
  Si  Si216  1  0.833573  0.834028  0.667336  1
  As  As217  1  0.042078  0.208340  0.041577  1