# 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  0.261077  0.252270  0.081036  1
  Si  Si2  1  0.250892  0.250034  0.418449  1
  Si  Si3  1  0.250180  0.249986  0.749390  1
  Si  Si4  1  0.250144  0.583909  0.083304  1
  Si  Si5  1  0.250456  0.583948  0.417581  1
  Si  Si6  1  0.250027  0.584111  0.749172  1
  Si  Si7  1  0.250892  0.914872  0.083267  1
  Si  Si8  1  0.250294  0.917059  0.416226  1
  Si  Si9  1  0.250416  0.915734  0.749356  1
  Si  Si10  1  0.583642  0.250113  0.083228  1
  Si  Si11  1  0.583647  0.249979  0.417194  1
  Si  Si12  1  0.583600  0.250012  0.749457  1
  Si  Si13  1  0.583625  0.583807  0.083271  1
  Si  Si14  1  0.583380  0.583566  0.416823  1
  Si  Si15  1  0.583501  0.583386  0.750019  1
  Si  Si16  1  0.583673  0.916154  0.083302  1
  Si  Si17  1  0.583282  0.916470  0.416795  1
  Si  Si18  1  0.583418  0.916414  0.749846  1
  Si  Si19  1  0.913248  0.250512  0.082754  1
  Si  Si20  1  0.915384  0.249687  0.418196  1
  Si  Si21  1  0.915861  0.250324  0.749237  1
  Si  Si22  1  0.915918  0.584030  0.082998  1
  Si  Si23  1  0.916404  0.583657  0.416670  1
  Si  Si24  1  0.916618  0.582879  0.750363  1
  Si  Si25  1  0.915400  0.915135  0.083624  1
  Si  Si26  1  0.916545  0.915549  0.417742  1
  Si  Si27  1  0.916442  0.916625  0.749612  1
  Si  Si28  1  0.995093  0.996163  0.995052  1
  Si  Si29  1  0.000935  0.998005  0.335307  1
  Si  Si30  1  0.999980  0.999745  0.666409  1
  Si  Si31  1  0.001960  0.331388  0.001900  1
  Si  Si32  1  0.995098  0.338240  0.337172  1
  Si  Si33  1  0.999715  0.333630  0.666454  1
  Si  Si34  1  0.999750  0.666836  0.999704  1
  Si  Si35  1  0.999962  0.666861  0.333558  1
  Si  Si36  1  0.999797  0.666241  0.667033  1
  Si  Si37  1  0.335333  0.998042  0.000916  1
  Si  Si38  1  0.332111  0.001251  0.332045  1
  Si  Si39  1  0.333574  0.999786  0.666591  1
  Si  Si40  1  0.337184  0.338249  0.995040  1
  Si  Si41  1  0.335329  0.332404  0.335281  1
  Si  Si42  1  0.333605  0.333380  0.666409  1
  Si  Si43  1  0.333549  0.666887  0.999899  1
  Si  Si44  1  0.333592  0.666715  0.333517  1
  Si  Si45  1  0.333541  0.667165  0.666165  1
  Si  Si46  1  0.666481  0.999792  0.999885  1
  Si  Si47  1  0.666667  0.999749  0.333537  1
  Si  Si48  1  0.666194  0.999787  0.666175  1
  Si  Si49  1  0.666507  0.333607  0.999705  1
  Si  Si50  1  0.666456  0.333388  0.333533  1
  Si  Si51  1  0.667072  0.333582  0.667031  1
  Si  Si52  1  0.667123  0.666240  0.999764  1
  Si  Si53  1  0.666184  0.667158  0.333407  1
  Si  Si54  1  0.666654  0.666664  0.666657  1
  Si  Si55  1  0.248156  0.085194  0.248117  1
  Si  Si56  1  0.250290  0.083068  0.583489  1
  Si  Si57  1  0.254994  0.078377  0.912779  1
  Si  Si58  1  0.254987  0.420535  0.254932  1
  Si  Si59  1  0.250098  0.416934  0.583512  1
  Si  Si60  1  0.249077  0.418598  0.914689  1
  Si  Si61  1  0.250304  0.749811  0.250228  1
  Si  Si62  1  0.250294  0.750380  0.582907  1
  Si  Si63  1  0.250052  0.749795  0.916356  1
  Si  Si64  1  0.583571  0.083056  0.250267  1
  Si  Si65  1  0.582978  0.083049  0.582926  1
  Si  Si66  1  0.583574  0.083300  0.916348  1
  Si  Si67  1  0.583560  0.416951  0.250032  1
  Si  Si68  1  0.583854  0.416851  0.583824  1
  Si  Si69  1  0.583373  0.416885  0.916397  1
  Si  Si70  1  0.582955  0.750401  0.250151  1
  Si  Si71  1  0.583377  0.749925  0.583471  1
  Si  Si72  1  0.583905  0.749493  0.916548  1
  Si  Si73  1  0.912812  0.078356  0.254964  1
  Si  Si74  1  0.916400  0.083251  0.583534  1
  Si  Si75  1  0.914748  0.084264  0.914684  1
  Si  Si76  1  0.914771  0.418582  0.249037  1
  Si  Si77  1  0.916418  0.416926  0.583317  1
  Si  Si78  1  0.918002  0.415362  0.917932  1
  Si  Si79  1  0.916403  0.749766  0.250068  1
  Si  Si80  1  0.916532  0.749439  0.583802  1
  Si  Si81  1  0.916475  0.749973  0.916393  1
  Si  Si82  1  0.988987  0.164291  0.169014  1
  Si  Si83  1  0.999855  0.166672  0.500573  1
  Si  Si84  1  0.999128  0.166629  0.831489  1
  Si  Si85  1  0.999172  0.501774  0.166694  1
  Si  Si86  1  0.999621  0.500941  0.500553  1
  Si  Si87  1  0.999769  0.499576  0.833704  1
  Si  Si88  1  0.999847  0.832751  0.166658  1
  Si  Si89  1  0.000021  0.832492  0.500767  1
  Si  Si90  1  0.999644  0.832744  0.832348  1
  Si  Si91  1  0.336840  0.166069  0.167245  1
  Si  Si92  1  0.334161  0.166333  0.500685  1
  Si  Si93  1  0.334667  0.166969  0.831773  1
  Si  Si94  1  0.334640  0.501541  0.166317  1
  Si  Si95  1  0.333630  0.500036  0.500290  1
  Si  Si96  1  0.333471  0.501053  0.832235  1
  Si  Si97  1  0.334158  0.832608  0.166939  1
  Si  Si98  1  0.333453  0.833725  0.499564  1
  Si  Si99  1  0.333594  0.833037  0.833288  1
  Si  Si100  1  0.666462  0.166581  0.166738  1
  Si  Si101  1  0.666410  0.166613  0.500450  1
  Si  Si102  1  0.666399  0.166702  0.832744  1
  Si  Si103  1  0.666397  0.500521  0.166600  1
  Si  Si104  1  0.666596  0.500200  0.500098  1
  Si  Si105  1  0.666808  0.500117  0.833222  1
  Si  Si106  1  0.666435  0.832871  0.166625  1
  Si  Si107  1  0.666543  0.833214  0.500082  1
  Si  Si108  1  0.666680  0.833127  0.833136  1
  Si  Si109  1  0.081067  0.252266  0.261042  1
  Si  Si110  1  0.083234  0.250128  0.583587  1
  Si  Si111  1  0.082804  0.250540  0.913170  1
  Si  Si112  1  0.083376  0.583903  0.250138  1
  Si  Si113  1  0.083358  0.583815  0.583566  1
  Si  Si114  1  0.083032  0.584062  0.915819  1
  Si  Si115  1  0.083290  0.914849  0.250865  1
  Si  Si116  1  0.083374  0.916097  0.583574  1
  Si  Si117  1  0.083659  0.915149  0.915345  1
  Si  Si118  1  0.418503  0.250035  0.250863  1
  Si  Si119  1  0.417236  0.249970  0.583590  1
  Si  Si120  1  0.418221  0.249692  0.915364  1
  Si  Si121  1  0.417619  0.583948  0.250333  1
  Si  Si122  1  0.416918  0.583495  0.583376  1
  Si  Si123  1  0.416686  0.583665  0.916396  1
  Si  Si124  1  0.416296  0.917078  0.250215  1
  Si  Si125  1  0.416830  0.916521  0.583209  1
  Si  Si126  1  0.417772  0.915603  0.916520  1
  Si  Si127  1  0.749456  0.249976  0.250151  1
  Si  Si128  1  0.749501  0.250003  0.583577  1
  Si  Si129  1  0.749281  0.250323  0.915835  1
  Si  Si130  1  0.749256  0.584081  0.249944  1
  Si  Si131  1  0.749897  0.583368  0.583416  1
  Si  Si132  1  0.750485  0.582887  0.916613  1
  Si  Si133  1  0.749420  0.915704  0.250364  1
  Si  Si134  1  0.749852  0.916383  0.583388  1
  Si  Si135  1  0.749700  0.916641  0.916373  1
  Si  Si136  1  0.167268  0.996505  0.167260  1
  Si  Si137  1  0.167009  0.999190  0.500693  1
  Si  Si138  1  0.166396  0.998706  0.831773  1
  Si  Si139  1  0.169043  0.344361  0.169006  1
  Si  Si140  1  0.166678  0.333487  0.500542  1
  Si  Si141  1  0.166731  0.334206  0.831493  1
  Si  Si142  1  0.166761  0.666918  0.166728  1
  Si  Si143  1  0.166740  0.666921  0.500438  1
  Si  Si144  1  0.166670  0.666951  0.832746  1
  Si  Si145  1  0.500781  0.999219  0.166963  1
  Si  Si146  1  0.499649  0.999881  0.499585  1
  Si  Si147  1  0.500343  0.999746  0.833275  1
  Si  Si148  1  0.500580  0.333491  0.166631  1
  Si  Si149  1  0.500816  0.333353  0.500776  1
  Si  Si150  1  0.500594  0.333722  0.832355  1
  Si  Si151  1  0.500481  0.666943  0.166610  1
  Si  Si152  1  0.500072  0.666798  0.500055  1
  Si  Si153  1  0.500201  0.666724  0.833192  1
  Si  Si154  1  0.831815  0.998687  0.166358  1
  Si  Si155  1  0.833304  0.999696  0.500320  1
  Si  Si156  1  0.832310  0.999864  0.832226  1
  Si  Si157  1  0.831581  0.334172  0.166699  1
  Si  Si158  1  0.832382  0.333728  0.500569  1
  Si  Si159  1  0.833768  0.333596  0.833734  1
  Si  Si160  1  0.832854  0.666926  0.166627  1
  Si  Si161  1  0.833128  0.666681  0.500135  1
  Si  Si162  1  0.833269  0.666522  0.833201  1
  Si  Si163  1  0.081074  0.072276  0.081042  1
  Si  Si164  1  0.083292  0.082451  0.418461  1
  Si  Si165  1  0.083361  0.083185  0.749397  1
  Si  Si166  1  0.082823  0.420098  0.082756  1
  Si  Si167  1  0.083669  0.417953  0.418164  1
  Si  Si168  1  0.083039  0.417461  0.749237  1
  Si  Si169  1  0.083226  0.749738  0.083211  1
  Si  Si170  1  0.083387  0.749673  0.417179  1
  Si  Si171  1  0.083348  0.749732  0.749457  1
  Si  Si172  1  0.418517  0.082468  0.083272  1
  Si  Si173  1  0.416311  0.083044  0.416238  1
  Si  Si174  1  0.417633  0.082924  0.749366  1
  Si  Si175  1  0.418198  0.417943  0.083600  1
  Si  Si176  1  0.417786  0.416810  0.417702  1
  Si  Si177  1  0.416716  0.416923  0.749621  1
  Si  Si178  1  0.417214  0.749710  0.083285  1
  Si  Si179  1  0.416865  0.750103  0.416774  1
  Si  Si180  1  0.416909  0.749940  0.749873  1
  Si  Si181  1  0.749454  0.083177  0.083318  1
  Si  Si182  1  0.749417  0.082893  0.417606  1
  Si  Si183  1  0.749239  0.083318  0.749190  1
  Si  Si184  1  0.749319  0.417430  0.083003  1
  Si  Si185  1  0.749652  0.416926  0.416654  1
  Si  Si186  1  0.750443  0.416739  0.750391  1
  Si  Si187  1  0.749562  0.749705  0.083301  1
  Si  Si188  1  0.749813  0.749921  0.416865  1
  Si  Si189  1  0.750017  0.749803  0.749950  1
  Si  Si190  1  0.169031  0.164310  0.988944  1
  Si  Si191  1  0.167274  0.166057  0.336795  1
  Si  Si192  1  0.166767  0.166591  0.666384  1
  Si  Si193  1  0.166720  0.501791  0.999072  1
  Si  Si194  1  0.166418  0.501542  0.334626  1
  Si  Si195  1  0.166680  0.500524  0.666340  1
  Si  Si196  1  0.166661  0.832773  0.999825  1
  Si  Si197  1  0.167004  0.832590  0.334097  1
  Si  Si198  1  0.166730  0.832852  0.666346  1
  Si  Si199  1  0.500613  0.166689  0.999825  1
  Si  Si200  1  0.500760  0.166337  0.334112  1
  Si  Si201  1  0.500498  0.166619  0.666346  1
  Si  Si202  1  0.500600  0.500927  0.999572  1
  Si  Si203  1  0.500326  0.500070  0.333537  1
  Si  Si204  1  0.500210  0.500214  0.666637  1
  Si  Si205  1  0.500828  0.832557  0.999979  1
  Si  Si206  1  0.499631  0.833734  0.333356  1
  Si  Si207  1  0.500037  0.833291  0.666580  1
  Si  Si208  1  0.831552  0.166619  0.999076  1
  Si  Si209  1  0.831810  0.166944  0.334649  1
  Si  Si210  1  0.832801  0.166680  0.666351  1
  Si  Si211  1  0.833814  0.499541  0.999753  1
  Si  Si212  1  0.832298  0.501032  0.333422  1
  Si  Si213  1  0.833187  0.500136  0.666714  1
  Si  Si214  1  0.832427  0.832740  0.999578  1
  Si  Si215  1  0.833288  0.832999  0.333587  1
  Si  Si216  1  0.833185  0.833110  0.666613  1
  As  As217  1  0.125016  0.208335  0.124973  1