# 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  0.260864  0.252258  0.081120  1
  Si  Si2  1  0.250764  0.250072  0.418275  1
  Si  Si3  1  0.250080  0.249983  0.749441  1
  Si  Si4  1  0.250074  0.583836  0.083297  1
  Si  Si5  1  0.250285  0.583977  0.417525  1
  Si  Si6  1  0.249937  0.583974  0.749337  1
  Si  Si7  1  0.250755  0.915026  0.083266  1
  Si  Si8  1  0.250096  0.917107  0.416128  1
  Si  Si9  1  0.250244  0.915763  0.749314  1
  Si  Si10  1  0.583593  0.250054  0.083248  1
  Si  Si11  1  0.583548  0.249904  0.417096  1
  Si  Si12  1  0.583561  0.250008  0.749516  1
  Si  Si13  1  0.583584  0.583826  0.083320  1
  Si  Si14  1  0.583374  0.583528  0.416680  1
  Si  Si15  1  0.583407  0.583291  0.749869  1
  Si  Si16  1  0.583549  0.916188  0.083314  1
  Si  Si17  1  0.583103  0.916698  0.416697  1
  Si  Si18  1  0.583245  0.916563  0.749795  1
  Si  Si19  1  0.913303  0.250499  0.082815  1
  Si  Si20  1  0.915312  0.249625  0.418075  1
  Si  Si21  1  0.915954  0.250276  0.749298  1
  Si  Si22  1  0.915955  0.584013  0.083060  1
  Si  Si23  1  0.916477  0.583596  0.416568  1
  Si  Si24  1  0.916629  0.582905  0.750381  1
  Si  Si25  1  0.915271  0.915255  0.083680  1
  Si  Si26  1  0.916566  0.915807  0.417569  1
  Si  Si27  1  0.916489  0.916743  0.749724  1
  Si  Si28  1  0.995337  0.996139  0.995376  1
  Si  Si29  1  0.000839  0.998317  0.335013  1
  Si  Si30  1  0.000007  0.999804  0.666427  1
  Si  Si31  1  0.001863  0.331416  0.001887  1
  Si  Si32  1  0.995379  0.337940  0.337218  1
  Si  Si33  1  0.999764  0.333565  0.666518  1
  Si  Si34  1  0.999741  0.666793  0.999756  1
  Si  Si35  1  0.999995  0.666885  0.333498  1
  Si  Si36  1  0.999805  0.666265  0.667059  1
  Si  Si37  1  0.334962  0.998324  0.000820  1
  Si  Si38  1  0.332029  0.001259  0.332027  1
  Si  Si39  1  0.333485  0.999765  0.666553  1
  Si  Si40  1  0.337181  0.337900  0.995426  1
  Si  Si41  1  0.334987  0.332502  0.334968  1
  Si  Si42  1  0.333463  0.333322  0.666412  1
  Si  Si43  1  0.333465  0.666898  0.999991  1
  Si  Si44  1  0.333541  0.666740  0.333513  1
  Si  Si45  1  0.333430  0.667040  0.666206  1
  Si  Si46  1  0.666405  0.999816  0.999943  1
  Si  Si47  1  0.666561  0.999800  0.333537  1
  Si  Si48  1  0.666193  0.999977  0.666284  1
  Si  Si49  1  0.666470  0.333600  0.999779  1
  Si  Si50  1  0.666409  0.333278  0.333466  1
  Si  Si51  1  0.667032  0.333484  0.667037  1
  Si  Si52  1  0.667028  0.666311  0.999813  1
  Si  Si53  1  0.666298  0.667181  0.333402  1
  Si  Si54  1  0.666568  0.666681  0.666488  1
  Si  Si55  1  0.248109  0.085191  0.248135  1
  Si  Si56  1  0.250181  0.083078  0.583420  1
  Si  Si57  1  0.254594  0.078683  0.912734  1
  Si  Si58  1  0.254603  0.420576  0.254613  1
  Si  Si59  1  0.249961  0.416944  0.583513  1
  Si  Si60  1  0.249137  0.418255  0.915028  1
  Si  Si61  1  0.250207  0.749796  0.250160  1
  Si  Si62  1  0.250173  0.750349  0.582920  1
  Si  Si63  1  0.249918  0.749804  0.916408  1
  Si  Si64  1  0.583439  0.083076  0.250161  1
  Si  Si65  1  0.582893  0.083206  0.582950  1
  Si  Si66  1  0.583474  0.083372  0.916393  1
  Si  Si67  1  0.583522  0.416898  0.249934  1
  Si  Si68  1  0.583767  0.416722  0.583715  1
  Si  Si69  1  0.583299  0.416926  0.916446  1
  Si  Si70  1  0.582958  0.750432  0.250134  1
  Si  Si71  1  0.583360  0.750002  0.583219  1
  Si  Si72  1  0.583766  0.749553  0.916474  1
  Si  Si73  1  0.912734  0.078668  0.254648  1
  Si  Si74  1  0.916435  0.083382  0.583551  1
  Si  Si75  1  0.914982  0.084200  0.915011  1
  Si  Si76  1  0.915006  0.418283  0.249132  1
  Si  Si77  1  0.916400  0.416897  0.583361  1
  Si  Si78  1  0.917911  0.415369  0.917962  1
  Si  Si79  1  0.916400  0.749809  0.249973  1
  Si  Si80  1  0.916549  0.749540  0.583747  1
  Si  Si81  1  0.916373  0.749935  0.916410  1
  Si  Si82  1  0.988892  0.164418  0.168964  1
  Si  Si83  1  0.999889  0.166703  0.500519  1
  Si  Si84  1  0.999220  0.166609  0.831716  1
  Si  Si85  1  0.999238  0.501562  0.166702  1
  Si  Si86  1  0.999682  0.500922  0.500626  1
  Si  Si87  1  0.999814  0.499495  0.833800  1
  Si  Si88  1  0.999830  0.832824  0.166626  1
  Si  Si89  1  0.000013  0.832633  0.500644  1
  Si  Si90  1  0.999670  0.832702  0.832432  1
  Si  Si91  1  0.336566  0.166157  0.167156  1
  Si  Si92  1  0.334021  0.166395  0.500701  1
  Si  Si93  1  0.334643  0.167034  0.831880  1
  Si  Si94  1  0.334660  0.501431  0.166275  1
  Si  Si95  1  0.333508  0.499979  0.500183  1
  Si  Si96  1  0.333367  0.500844  0.832459  1
  Si  Si97  1  0.334033  0.832576  0.166887  1
  Si  Si98  1  0.333288  0.833701  0.499544  1
  Si  Si99  1  0.333452  0.833089  0.833315  1
  Si  Si100  1  0.666365  0.166606  0.166669  1
  Si  Si101  1  0.666360  0.166674  0.500438  1
  Si  Si102  1  0.666373  0.166771  0.832869  1
  Si  Si103  1  0.666410  0.500513  0.166594  1
  Si  Si104  1  0.666606  0.500057  0.499999  1
  Si  Si105  1  0.666771  0.500019  0.833292  1
  Si  Si106  1  0.666375  0.832920  0.166615  1
  Si  Si107  1  0.666558  0.833443  0.499983  1
  Si  Si108  1  0.666605  0.833219  0.833109  1
  Si  Si109  1  0.081146  0.252275  0.261003  1
  Si  Si110  1  0.083296  0.250077  0.583619  1
  Si  Si111  1  0.082840  0.250450  0.913410  1
  Si  Si112  1  0.083313  0.583845  0.250107  1
  Si  Si113  1  0.083319  0.583796  0.583622  1
  Si  Si114  1  0.083022  0.583995  0.915956  1
  Si  Si115  1  0.083244  0.915006  0.250771  1
  Si  Si116  1  0.083363  0.916162  0.583563  1
  Si  Si117  1  0.083650  0.915267  0.915311  1
  Si  Si118  1  0.418252  0.250029  0.250742  1
  Si  Si119  1  0.417104  0.249960  0.583547  1
  Si  Si120  1  0.418024  0.249636  0.915291  1
  Si  Si121  1  0.417539  0.583985  0.250243  1
  Si  Si122  1  0.416837  0.583486  0.583260  1
  Si  Si123  1  0.416535  0.583594  0.916482  1
  Si  Si124  1  0.416148  0.917126  0.250084  1
  Si  Si125  1  0.416624  0.916615  0.583103  1
  Si  Si126  1  0.417492  0.915776  0.916534  1
  Si  Si127  1  0.749448  0.249947  0.250090  1
  Si  Si128  1  0.749524  0.249983  0.583616  1
  Si  Si129  1  0.749209  0.250302  0.915949  1
  Si  Si130  1  0.749359  0.584012  0.249968  1
  Si  Si131  1  0.749901  0.583280  0.583318  1
  Si  Si132  1  0.750375  0.582933  0.916666  1
  Si  Si133  1  0.749320  0.915801  0.250270  1
  Si  Si134  1  0.749806  0.916641  0.583378  1
  Si  Si135  1  0.749695  0.916716  0.916441  1
  Si  Si136  1  0.167186  0.996627  0.167216  1
  Si  Si137  1  0.166897  0.999242  0.500678  1
  Si  Si138  1  0.166266  0.998615  0.831883  1
  Si  Si139  1  0.169002  0.344196  0.168969  1
  Si  Si140  1  0.166647  0.333485  0.500496  1
  Si  Si141  1  0.166687  0.334076  0.831721  1
  Si  Si142  1  0.166664  0.666899  0.166665  1
  Si  Si143  1  0.166655  0.666915  0.500441  1
  Si  Si144  1  0.166559  0.666861  0.832875  1
  Si  Si145  1  0.500673  0.999262  0.166869  1
  Si  Si146  1  0.499551  0.000039  0.499615  1
  Si  Si147  1  0.500148  0.999853  0.833328  1
  Si  Si148  1  0.500491  0.333432  0.166632  1
  Si  Si149  1  0.500656  0.333285  0.500620  1
  Si  Si150  1  0.500563  0.333637  0.832421  1
  Si  Si151  1  0.500432  0.666982  0.166642  1
  Si  Si152  1  0.500005  0.666795  0.499896  1
  Si  Si153  1  0.500103  0.666636  0.833145  1
  Si  Si154  1  0.831873  0.998649  0.166276  1
  Si  Si155  1  0.833351  0.999885  0.500235  1
  Si  Si156  1  0.832451  0.999915  0.832462  1
  Si  Si157  1  0.831670  0.334106  0.166705  1
  Si  Si158  1  0.832409  0.333614  0.500602  1
  Si  Si159  1  0.833788  0.333459  0.833814  1
  Si  Si160  1  0.832876  0.666892  0.166589  1
  Si  Si161  1  0.833181  0.666680  0.500096  1
  Si  Si162  1  0.833235  0.666518  0.833248  1
  Si  Si163  1  0.081129  0.072254  0.081100  1
  Si  Si164  1  0.083269  0.082570  0.418288  1
  Si  Si165  1  0.083323  0.083210  0.749452  1
  Si  Si166  1  0.082861  0.419835  0.082884  1
  Si  Si167  1  0.083676  0.418037  0.418086  1
  Si  Si168  1  0.083041  0.417369  0.749288  1
  Si  Si169  1  0.083221  0.749701  0.083261  1
  Si  Si170  1  0.083388  0.749722  0.417128  1
  Si  Si171  1  0.083306  0.749699  0.749549  1
  Si  Si172  1  0.418234  0.082577  0.083258  1
  Si  Si173  1  0.416157  0.083195  0.416159  1
  Si  Si174  1  0.417477  0.083043  0.749306  1
  Si  Si175  1  0.418059  0.418002  0.083702  1
  Si  Si176  1  0.417558  0.416763  0.417503  1
  Si  Si177  1  0.416534  0.416824  0.749706  1
  Si  Si178  1  0.417142  0.749756  0.083329  1
  Si  Si179  1  0.416697  0.750210  0.416613  1
  Si  Si180  1  0.416772  0.749956  0.749789  1
  Si  Si181  1  0.749430  0.083204  0.083301  1
  Si  Si182  1  0.749325  0.083053  0.417547  1
  Si  Si183  1  0.749325  0.083409  0.749389  1
  Si  Si184  1  0.749248  0.417410  0.083067  1
  Si  Si185  1  0.749721  0.416767  0.416512  1
  Si  Si186  1  0.750382  0.416635  0.750415  1
  Si  Si187  1  0.749528  0.749714  0.083334  1
  Si  Si188  1  0.749856  0.750094  0.416818  1
  Si  Si189  1  0.749928  0.749879  0.749867  1
  Si  Si190  1  0.169000  0.164402  0.989047  1
  Si  Si191  1  0.167181  0.166149  0.336652  1
  Si  Si192  1  0.166696  0.166601  0.666368  1
  Si  Si193  1  0.166672  0.501543  0.999229  1
  Si  Si194  1  0.166278  0.501429  0.334686  1
  Si  Si195  1  0.166567  0.500464  0.666435  1
  Si  Si196  1  0.166590  0.832835  0.999871  1
  Si  Si197  1  0.166911  0.832551  0.333993  1
  Si  Si198  1  0.166637  0.832842  0.666360  1
  Si  Si199  1  0.500462  0.166692  0.999854  1
  Si  Si200  1  0.500697  0.166365  0.333996  1
  Si  Si201  1  0.500377  0.166692  0.666372  1
  Si  Si202  1  0.500561  0.500932  0.999724  1
  Si  Si203  1  0.500228  0.499982  0.333436  1
  Si  Si204  1  0.500080  0.500053  0.666571  1
  Si  Si205  1  0.500660  0.832649  0.999935  1
  Si  Si206  1  0.499612  0.833774  0.333278  1
  Si  Si207  1  0.499953  0.833324  0.666482  1
  Si  Si208  1  0.831652  0.166632  0.999195  1
  Si  Si209  1  0.831896  0.167029  0.334697  1
  Si  Si210  1  0.832864  0.166748  0.666455  1
  Si  Si211  1  0.833784  0.499528  0.999858  1
  Si  Si212  1  0.832461  0.500847  0.333391  1
  Si  Si213  1  0.833233  0.500022  0.666781  1
  Si  Si214  1  0.832387  0.832709  0.999674  1
  Si  Si215  1  0.833363  0.833160  0.333483  1
  Si  Si216  1  0.833204  0.833233  0.666606  1
  As  As217  1  0.124822  0.208163  0.125041  1