# 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  0.261061  0.252235  0.081088  1
  Si  Si2  1  0.250876  0.250015  0.418516  1
  Si  Si3  1  0.250171  0.249943  0.749454  1
  Si  Si4  1  0.250176  0.583877  0.083366  1
  Si  Si5  1  0.250403  0.583912  0.417664  1
  Si  Si6  1  0.250009  0.584071  0.749255  1
  Si  Si7  1  0.250876  0.914819  0.083305  1
  Si  Si8  1  0.250229  0.917062  0.416273  1
  Si  Si9  1  0.250438  0.915646  0.749413  1
  Si  Si10  1  0.583655  0.250054  0.083239  1
  Si  Si11  1  0.583621  0.249965  0.417208  1
  Si  Si12  1  0.583619  0.249900  0.749521  1
  Si  Si13  1  0.583597  0.583792  0.083306  1
  Si  Si14  1  0.583339  0.583416  0.416934  1
  Si  Si15  1  0.583529  0.583214  0.749998  1
  Si  Si16  1  0.583657  0.916084  0.083384  1
  Si  Si17  1  0.583227  0.916449  0.416815  1
  Si  Si18  1  0.583412  0.916400  0.749834  1
  Si  Si19  1  0.913237  0.250527  0.082801  1
  Si  Si20  1  0.915383  0.249661  0.418215  1
  Si  Si21  1  0.915911  0.250252  0.749278  1
  Si  Si22  1  0.915860  0.584047  0.083062  1
  Si  Si23  1  0.916393  0.583635  0.416690  1
  Si  Si24  1  0.916616  0.582841  0.750430  1
  Si  Si25  1  0.915385  0.915093  0.083647  1
  Si  Si26  1  0.916515  0.915559  0.417778  1
  Si  Si27  1  0.916420  0.916579  0.749668  1
  Si  Si28  1  0.995114  0.996115  0.995100  1
  Si  Si29  1  0.000932  0.998017  0.335333  1
  Si  Si30  1  0.999944  0.999713  0.666470  1
  Si  Si31  1  0.001940  0.331400  0.001937  1
  Si  Si32  1  0.995083  0.338239  0.337199  1
  Si  Si33  1  0.999730  0.333577  0.666494  1
  Si  Si34  1  0.999735  0.666816  0.999772  1
  Si  Si35  1  0.999941  0.666865  0.333597  1
  Si  Si36  1  0.999746  0.666241  0.667072  1
  Si  Si37  1  0.335324  0.998007  0.000985  1
  Si  Si38  1  0.332085  0.001213  0.332088  1
  Si  Si39  1  0.333575  0.999704  0.666642  1
  Si  Si40  1  0.337187  0.338214  0.995083  1
  Si  Si41  1  0.335303  0.332346  0.335321  1
  Si  Si42  1  0.333546  0.333347  0.666438  1
  Si  Si43  1  0.333597  0.666843  0.999948  1
  Si  Si44  1  0.333540  0.666655  0.333565  1
  Si  Si45  1  0.333494  0.667134  0.666216  1
  Si  Si46  1  0.666485  0.999710  0.999978  1
  Si  Si47  1  0.666641  0.999726  0.333576  1
  Si  Si48  1  0.666173  0.999806  0.666166  1
  Si  Si49  1  0.666529  0.333543  0.999721  1
  Si  Si50  1  0.666425  0.333360  0.333543  1
  Si  Si51  1  0.667079  0.333460  0.667092  1
  Si  Si52  1  0.667078  0.666228  0.999784  1
  Si  Si53  1  0.666115  0.667081  0.333516  1
  Si  Si54  1  0.666643  0.666581  0.666671  1
  Si  Si55  1  0.248156  0.085168  0.248159  1
  Si  Si56  1  0.250283  0.083014  0.583565  1
  Si  Si57  1  0.254975  0.078331  0.912845  1
  Si  Si58  1  0.254973  0.420491  0.254978  1
  Si  Si59  1  0.250031  0.416925  0.583591  1
  Si  Si60  1  0.249072  0.418572  0.914743  1
  Si  Si61  1  0.250268  0.749790  0.250305  1
  Si  Si62  1  0.250247  0.750359  0.582966  1
  Si  Si63  1  0.250089  0.749732  0.916421  1
  Si  Si64  1  0.583551  0.083028  0.250297  1
  Si  Si65  1  0.582931  0.083034  0.582924  1
  Si  Si66  1  0.583610  0.083193  0.916422  1
  Si  Si67  1  0.583557  0.416921  0.250042  1
  Si  Si68  1  0.583841  0.416694  0.583879  1
  Si  Si69  1  0.583374  0.416806  0.916406  1
  Si  Si70  1  0.582905  0.750315  0.250248  1
  Si  Si71  1  0.583403  0.749812  0.583428  1
  Si  Si72  1  0.583845  0.749431  0.916533  1
  Si  Si73  1  0.912799  0.078338  0.254974  1
  Si  Si74  1  0.916396  0.083208  0.583579  1
  Si  Si75  1  0.914775  0.084215  0.914732  1
  Si  Si76  1  0.914744  0.418591  0.249065  1
  Si  Si77  1  0.916410  0.416835  0.583341  1
  Si  Si78  1  0.917968  0.415363  0.917968  1
  Si  Si79  1  0.916391  0.749749  0.250100  1
  Si  Si80  1  0.916478  0.749428  0.583848  1
  Si  Si81  1  0.916443  0.749926  0.916441  1
  Si  Si82  1  0.988995  0.164304  0.169035  1
  Si  Si83  1  0.999837  0.166650  0.500619  1
  Si  Si84  1  0.999159  0.166571  0.831536  1
  Si  Si85  1  0.999145  0.501807  0.166745  1
  Si  Si86  1  0.999583  0.500917  0.500605  1
  Si  Si87  1  0.999783  0.499551  0.833784  1
  Si  Si88  1  0.999843  0.832728  0.166683  1
  Si  Si89  1  0.999972  0.832506  0.500819  1
  Si  Si90  1  0.999617  0.832691  0.832402  1
  Si  Si91  1  0.336852  0.166046  0.167282  1
  Si  Si92  1  0.334126  0.166304  0.500752  1
  Si  Si93  1  0.334660  0.166904  0.831818  1
  Si  Si94  1  0.334659  0.501487  0.166381  1
  Si  Si95  1  0.333582  0.500007  0.500354  1
  Si  Si96  1  0.333479  0.501014  0.832271  1
  Si  Si97  1  0.334127  0.832566  0.167001  1
  Si  Si98  1  0.333389  0.833703  0.499603  1
  Si  Si99  1  0.333636  0.832977  0.833337  1
  Si  Si100  1  0.666454  0.166529  0.166766  1
  Si  Si101  1  0.666374  0.166603  0.500461  1
  Si  Si102  1  0.666424  0.166601  0.832803  1
  Si  Si103  1  0.666371  0.500523  0.166636  1
  Si  Si104  1  0.666580  0.500085  0.500187  1
  Si  Si105  1  0.666845  0.500000  0.833241  1
  Si  Si106  1  0.666382  0.832788  0.166727  1
  Si  Si107  1  0.666535  0.833193  0.500073  1
  Si  Si108  1  0.666635  0.833094  0.833146  1
  Si  Si109  1  0.081075  0.252241  0.261064  1
  Si  Si110  1  0.083249  0.250059  0.583651  1
  Si  Si111  1  0.082803  0.250527  0.913225  1
  Si  Si112  1  0.083373  0.583889  0.250202  1
  Si  Si113  1  0.083294  0.583813  0.583615  1
  Si  Si114  1  0.083020  0.584052  0.915891  1
  Si  Si115  1  0.083269  0.914837  0.250897  1
  Si  Si116  1  0.083339  0.916086  0.583640  1
  Si  Si117  1  0.083662  0.915079  0.915393  1
  Si  Si118  1  0.418510  0.250031  0.250881  1
  Si  Si119  1  0.417201  0.249931  0.583645  1
  Si  Si120  1  0.418220  0.249645  0.915391  1
  Si  Si121  1  0.417604  0.583898  0.250415  1
  Si  Si122  1  0.416882  0.583433  0.583462  1
  Si  Si123  1  0.416707  0.583614  0.916399  1
  Si  Si124  1  0.416265  0.917044  0.250252  1
  Si  Si125  1  0.416823  0.916448  0.583235  1
  Si  Si126  1  0.417769  0.915567  0.916571  1
  Si  Si127  1  0.749438  0.249962  0.250155  1
  Si  Si128  1  0.749508  0.249934  0.583606  1
  Si  Si129  1  0.749312  0.250231  0.915885  1
  Si  Si130  1  0.749199  0.584072  0.250018  1
  Si  Si131  1  0.749935  0.583226  0.583515  1
  Si  Si132  1  0.750434  0.582836  0.916650  1
  Si  Si133  1  0.749384  0.915648  0.250431  1
  Si  Si134  1  0.749814  0.916375  0.583409  1
  Si  Si135  1  0.749670  0.916596  0.916414  1
  Si  Si136  1  0.167264  0.996491  0.167282  1
  Si  Si137  1  0.166979  0.999190  0.500766  1
  Si  Si138  1  0.166415  0.998633  0.831831  1
  Si  Si139  1  0.169006  0.344343  0.169020  1
  Si  Si140  1  0.166649  0.333460  0.500604  1
  Si  Si141  1  0.166726  0.334197  0.831531  1
  Si  Si142  1  0.166779  0.666881  0.166790  1
  Si  Si143  1  0.166672  0.666922  0.500503  1
  Si  Si144  1  0.166662  0.666927  0.832824  1
  Si  Si145  1  0.500761  0.999172  0.167007  1
  Si  Si146  1  0.499593  0.999867  0.499588  1
  Si  Si147  1  0.500343  0.999700  0.833318  1
  Si  Si148  1  0.500604  0.333456  0.166638  1
  Si  Si149  1  0.500773  0.333283  0.500809  1
  Si  Si150  1  0.500601  0.333647  0.832362  1
  Si  Si151  1  0.500446  0.666890  0.166679  1
  Si  Si152  1  0.500015  0.666714  0.500093  1
  Si  Si153  1  0.500222  0.666616  0.833139  1
  Si  Si154  1  0.831801  0.998627  0.166403  1
  Si  Si155  1  0.833273  0.999705  0.500344  1
  Si  Si156  1  0.832299  0.999814  0.832284  1
  Si  Si157  1  0.831543  0.334196  0.166721  1
  Si  Si158  1  0.832352  0.333676  0.500583  1
  Si  Si159  1  0.833824  0.333477  0.833799  1
  Si  Si160  1  0.832779  0.666936  0.166692  1
  Si  Si161  1  0.833094  0.666617  0.500211  1
  Si  Si162  1  0.833224  0.666479  0.833248  1
  Si  Si163  1  0.081083  0.072284  0.081078  1
  Si  Si164  1  0.083280  0.082446  0.418517  1
  Si  Si165  1  0.083376  0.083107  0.749456  1
  Si  Si166  1  0.082797  0.420123  0.082799  1
  Si  Si167  1  0.083645  0.417933  0.418225  1
  Si  Si168  1  0.083014  0.417450  0.749276  1
  Si  Si169  1  0.083239  0.749684  0.083279  1
  Si  Si170  1  0.083331  0.749686  0.417239  1
  Si  Si171  1  0.083323  0.749680  0.749517  1
  Si  Si172  1  0.418522  0.082437  0.083307  1
  Si  Si173  1  0.416253  0.083055  0.416256  1
  Si  Si174  1  0.417622  0.082855  0.749400  1
  Si  Si175  1  0.418227  0.417926  0.083623  1
  Si  Si176  1  0.417728  0.416763  0.417775  1
  Si  Si177  1  0.416674  0.416844  0.749663  1
  Si  Si178  1  0.417201  0.749679  0.083357  1
  Si  Si179  1  0.416790  0.750045  0.416841  1
  Si  Si180  1  0.416927  0.749884  0.749874  1
  Si  Si181  1  0.749464  0.083124  0.083363  1
  Si  Si182  1  0.749388  0.082882  0.417624  1
  Si  Si183  1  0.749258  0.083265  0.749215  1
  Si  Si184  1  0.749275  0.417438  0.083013  1
  Si  Si185  1  0.749644  0.416870  0.416671  1
  Si  Si186  1  0.750467  0.416598  0.750452  1
  Si  Si187  1  0.749509  0.749691  0.083342  1
  Si  Si188  1  0.749805  0.749855  0.416902  1
  Si  Si189  1  0.749952  0.749747  0.749985  1
  Si  Si190  1  0.169018  0.164297  0.988996  1
  Si  Si191  1  0.167270  0.166048  0.336849  1
  Si  Si192  1  0.166771  0.166534  0.666464  1
  Si  Si193  1  0.166731  0.501797  0.999127  1
  Si  Si194  1  0.166394  0.501505  0.334675  1
  Si  Si195  1  0.166631  0.500548  0.666399  1
  Si  Si196  1  0.166670  0.832704  0.999871  1
  Si  Si197  1  0.166961  0.832578  0.334150  1
  Si  Si198  1  0.166689  0.832825  0.666410  1
  Si  Si199  1  0.500627  0.166635  0.999850  1
  Si  Si200  1  0.500741  0.166319  0.334134  1
  Si  Si201  1  0.500464  0.166577  0.666392  1
  Si  Si202  1  0.500628  0.500891  0.999560  1
  Si  Si203  1  0.500293  0.499981  0.333591  1
  Si  Si204  1  0.500180  0.500090  0.666648  1
  Si  Si205  1  0.500809  0.832511  0.000023  1
  Si  Si206  1  0.499582  0.833672  0.333416  1
  Si  Si207  1  0.500080  0.833216  0.666560  1
  Si  Si208  1  0.831579  0.166559  0.999141  1
  Si  Si209  1  0.831794  0.166934  0.334657  1
  Si  Si210  1  0.832814  0.166642  0.666387  1
  Si  Si211  1  0.833792  0.499538  0.999800  1
  Si  Si212  1  0.832258  0.501030  0.333467  1
  Si  Si213  1  0.833220  0.500018  0.666804  1
  Si  Si214  1  0.832389  0.832695  0.999606  1
  Si  Si215  1  0.833284  0.832964  0.333635  1
  Si  Si216  1  0.833123  0.833097  0.666651  1
  As  As217  1  0.125018  0.208330  0.125021  1
