# 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  0.260881  0.252289  0.081078  1
  Si  Si2  1  0.250683  0.250056  0.418162  1
  Si  Si3  1  0.250058  0.250053  0.749538  1
  Si  Si4  1  0.250064  0.583814  0.083338  1
  Si  Si5  1  0.250126  0.584047  0.417403  1
  Si  Si6  1  0.249994  0.583877  0.749490  1
  Si  Si7  1  0.250702  0.915268  0.083313  1
  Si  Si8  1  0.250194  0.917158  0.416242  1
  Si  Si9  1  0.250151  0.915907  0.749324  1
  Si  Si10  1  0.583594  0.249939  0.083440  1
  Si  Si11  1  0.583562  0.249946  0.417132  1
  Si  Si12  1  0.583604  0.249973  0.749545  1
  Si  Si13  1  0.583603  0.583789  0.083395  1
  Si  Si14  1  0.583301  0.583352  0.416613  1
  Si  Si15  1  0.583268  0.583327  0.750097  1
  Si  Si16  1  0.583553  0.916280  0.083452  1
  Si  Si17  1  0.583160  0.916710  0.416681  1
  Si  Si18  1  0.583226  0.916572  0.750072  1
  Si  Si19  1  0.913479  0.250476  0.082866  1
  Si  Si20  1  0.915271  0.249534  0.418043  1
  Si  Si21  1  0.915975  0.250242  0.749421  1
  Si  Si22  1  0.915998  0.584002  0.083100  1
  Si  Si23  1  0.916561  0.583504  0.416606  1
  Si  Si24  1  0.916665  0.582975  0.750386  1
  Si  Si25  1  0.915309  0.915356  0.083836  1
  Si  Si26  1  0.916595  0.916001  0.417416  1
  Si  Si27  1  0.916618  0.916831  0.749935  1
  Si  Si28  1  0.995594  0.996098  0.995606  1
  Si  Si29  1  0.000710  0.998618  0.334798  1
  Si  Si30  1  0.000057  0.999893  0.666522  1
  Si  Si31  1  0.001867  0.331521  0.001888  1
  Si  Si32  1  0.995522  0.337732  0.337249  1
  Si  Si33  1  0.999809  0.333495  0.666619  1
  Si  Si34  1  0.999852  0.666773  0.999858  1
  Si  Si35  1  0.000034  0.666871  0.333513  1
  Si  Si36  1  0.999780  0.666346  0.667010  1
  Si  Si37  1  0.334694  0.998675  0.000764  1
  Si  Si38  1  0.332010  0.001343  0.332051  1
  Si  Si39  1  0.333533  0.999803  0.666562  1
  Si  Si40  1  0.337269  0.337682  0.995627  1
  Si  Si41  1  0.334677  0.332596  0.334751  1
  Si  Si42  1  0.333415  0.333328  0.666473  1
  Si  Si43  1  0.333418  0.666901  0.000075  1
  Si  Si44  1  0.333516  0.666809  0.333501  1
  Si  Si45  1  0.333374  0.666991  0.666334  1
  Si  Si46  1  0.666506  0.999878  0.000099  1
  Si  Si47  1  0.666527  0.999785  0.333597  1
  Si  Si48  1  0.666234  0.999906  0.666437  1
  Si  Si49  1  0.666499  0.333494  0.999887  1
  Si  Si50  1  0.666505  0.333272  0.333496  1
  Si  Si51  1  0.666978  0.333514  0.667019  1
  Si  Si52  1  0.667007  0.666351  0.999908  1
  Si  Si53  1  0.666312  0.667011  0.333372  1
  Si  Si54  1  0.666640  0.666669  0.666683  1
  Si  Si55  1  0.248108  0.085210  0.248186  1
  Si  Si56  1  0.250193  0.083178  0.583522  1
  Si  Si57  1  0.254338  0.079029  0.912727  1
  Si  Si58  1  0.254324  0.420623  0.254375  1
  Si  Si59  1  0.249825  0.416867  0.583499  1
  Si  Si60  1  0.249236  0.418055  0.915308  1
  Si  Si61  1  0.250218  0.749947  0.250172  1
  Si  Si62  1  0.250147  0.750328  0.582973  1
  Si  Si63  1  0.249852  0.749846  0.916510  1
  Si  Si64  1  0.583488  0.083175  0.250266  1
  Si  Si65  1  0.582946  0.083134  0.583010  1
  Si  Si66  1  0.583527  0.083421  0.916559  1
  Si  Si67  1  0.583557  0.416823  0.249945  1
  Si  Si68  1  0.583660  0.416767  0.583690  1
  Si  Si69  1  0.583421  0.416843  0.916490  1
  Si  Si70  1  0.582966  0.750372  0.250162  1
  Si  Si71  1  0.583251  0.749931  0.583444  1
  Si  Si72  1  0.583674  0.749666  0.916654  1
  Si  Si73  1  0.912726  0.078976  0.254416  1
  Si  Si74  1  0.916471  0.083427  0.583585  1
  Si  Si75  1  0.915241  0.084151  0.915280  1
  Si  Si76  1  0.915234  0.418086  0.249188  1
  Si  Si77  1  0.916418  0.416871  0.583566  1
  Si  Si78  1  0.917941  0.415382  0.918005  1
  Si  Si79  1  0.916474  0.749844  0.249998  1
  Si  Si80  1  0.916541  0.749694  0.583688  1
  Si  Si81  1  0.916495  0.749818  0.916458  1
  Si  Si82  1  0.988875  0.164393  0.168895  1
  Si  Si83  1  0.999908  0.166655  0.500485  1
  Si  Si84  1  0.999314  0.166691  0.831956  1
  Si  Si85  1  0.999305  0.501453  0.166679  1
  Si  Si86  1  0.999752  0.500805  0.500754  1
  Si  Si87  1  0.999814  0.499537  0.833819  1
  Si  Si88  1  0.999928  0.832918  0.166737  1
  Si  Si89  1  0.000006  0.832817  0.500575  1
  Si  Si90  1  0.999833  0.832627  0.832530  1
  Si  Si91  1  0.336412  0.166283  0.167129  1
  Si  Si92  1  0.333964  0.166469  0.500723  1
  Si  Si93  1  0.334696  0.167141  0.831954  1
  Si  Si94  1  0.334693  0.501348  0.166209  1
  Si  Si95  1  0.333281  0.499893  0.500045  1
  Si  Si96  1  0.333336  0.500707  0.832699  1
  Si  Si97  1  0.334021  0.832737  0.166896  1
  Si  Si98  1  0.333296  0.833647  0.499630  1
  Si  Si99  1  0.333305  0.833276  0.833487  1
  Si  Si100  1  0.666431  0.166666  0.166730  1
  Si  Si101  1  0.666355  0.166653  0.500481  1
  Si  Si102  1  0.666431  0.166776  0.832951  1
  Si  Si103  1  0.666468  0.500437  0.166606  1
  Si  Si104  1  0.666721  0.499986  0.500005  1
  Si  Si105  1  0.666668  0.499998  0.833418  1
  Si  Si106  1  0.666379  0.832942  0.166682  1
  Si  Si107  1  0.666531  0.833361  0.500056  1
  Si  Si108  1  0.666738  0.833285  0.833374  1
  Si  Si109  1  0.081098  0.252277  0.261133  1
  Si  Si110  1  0.083308  0.250007  0.583654  1
  Si  Si111  1  0.082934  0.250427  0.913640  1
  Si  Si112  1  0.083272  0.583827  0.250089  1
  Si  Si113  1  0.083315  0.583784  0.583654  1
  Si  Si114  1  0.083101  0.583973  0.916036  1
  Si  Si115  1  0.083287  0.915257  0.250767  1
  Si  Si116  1  0.083418  0.916266  0.583588  1
  Si  Si117  1  0.083793  0.915347  0.915296  1
  Si  Si118  1  0.418078  0.250016  0.250770  1
  Si  Si119  1  0.417075  0.249958  0.583583  1
  Si  Si120  1  0.418015  0.249523  0.915274  1
  Si  Si121  1  0.417451  0.584014  0.250175  1
  Si  Si122  1  0.416590  0.583374  0.583227  1
  Si  Si123  1  0.416493  0.583435  0.916747  1
  Si  Si124  1  0.416225  0.917189  0.250200  1
  Si  Si125  1  0.416569  0.916660  0.583224  1
  Si  Si126  1  0.417313  0.916032  0.916687  1
  Si  Si127  1  0.749568  0.250018  0.250113  1
  Si  Si128  1  0.749535  0.249954  0.583696  1
  Si  Si129  1  0.749285  0.250227  0.916071  1
  Si  Si130  1  0.749484  0.583883  0.250023  1
  Si  Si131  1  0.750022  0.583245  0.583374  1
  Si  Si132  1  0.750308  0.582976  0.916740  1
  Si  Si133  1  0.749292  0.915904  0.250204  1
  Si  Si134  1  0.749819  0.916666  0.583362  1
  Si  Si135  1  0.749931  0.916800  0.916720  1
  Si  Si136  1  0.167085  0.996848  0.167123  1
  Si  Si137  1  0.166921  0.999353  0.500718  1
  Si  Si138  1  0.166185  0.998669  0.831993  1
  Si  Si139  1  0.169018  0.344273  0.168910  1
  Si  Si140  1  0.166581  0.333433  0.500425  1
  Si  Si141  1  0.166682  0.334024  0.831936  1
  Si  Si142  1  0.166682  0.666932  0.166706  1
  Si  Si143  1  0.166626  0.666935  0.500418  1
  Si  Si144  1  0.166558  0.666869  0.832925  1
  Si  Si145  1  0.500696  0.999405  0.166951  1
  Si  Si146  1  0.499583  0.000034  0.499672  1
  Si  Si147  1  0.500091  0.999987  0.833506  1
  Si  Si148  1  0.500444  0.333374  0.166745  1
  Si  Si149  1  0.500520  0.333379  0.500548  1
  Si  Si150  1  0.500659  0.333517  0.832496  1
  Si  Si151  1  0.500403  0.666956  0.166673  1
  Si  Si152  1  0.499944  0.666660  0.499942  1
  Si  Si153  1  0.499982  0.666636  0.833406  1
  Si  Si154  1  0.831987  0.998647  0.166225  1
  Si  Si155  1  0.833388  0.999976  0.500183  1
  Si  Si156  1  0.832641  0.000006  0.832697  1
  Si  Si157  1  0.831862  0.334035  0.166685  1
  Si  Si158  1  0.832528  0.333482  0.500781  1
  Si  Si159  1  0.833730  0.333509  0.833860  1
  Si  Si160  1  0.832951  0.666887  0.166630  1
  Si  Si161  1  0.833233  0.666679  0.500065  1
  Si  Si162  1  0.833339  0.666556  0.833401  1
  Si  Si163  1  0.081124  0.072312  0.081015  1
  Si  Si164  1  0.083285  0.082617  0.418181  1
  Si  Si165  1  0.083295  0.083313  0.749564  1
  Si  Si166  1  0.082941  0.419790  0.082941  1
  Si  Si167  1  0.083701  0.418069  0.417990  1
  Si  Si168  1  0.083089  0.417308  0.749391  1
  Si  Si169  1  0.083336  0.749715  0.083416  1
  Si  Si170  1  0.083410  0.749809  0.417111  1
  Si  Si171  1  0.083343  0.749701  0.749537  1
  Si  Si172  1  0.418075  0.082662  0.083362  1
  Si  Si173  1  0.416155  0.083204  0.416243  1
  Si  Si174  1  0.417479  0.083165  0.749308  1
  Si  Si175  1  0.417984  0.417979  0.083860  1
  Si  Si176  1  0.417320  0.416707  0.417334  1
  Si  Si177  1  0.416485  0.416755  0.749879  1
  Si  Si178  1  0.417082  0.749797  0.083436  1
  Si  Si179  1  0.416632  0.750097  0.416591  1
  Si  Si180  1  0.416579  0.750034  0.750039  1
  Si  Si181  1  0.749554  0.083282  0.083366  1
  Si  Si182  1  0.749288  0.083152  0.417500  1
  Si  Si183  1  0.749413  0.083323  0.749526  1
  Si  Si184  1  0.749297  0.417323  0.083123  1
  Si  Si185  1  0.749955  0.416670  0.416533  1
  Si  Si186  1  0.750272  0.416656  0.750449  1
  Si  Si187  1  0.749581  0.749725  0.083417  1
  Si  Si188  1  0.749816  0.750089  0.416728  1
  Si  Si189  1  0.750063  0.749985  0.750071  1
  Si  Si190  1  0.168995  0.164420  0.989161  1
  Si  Si191  1  0.167096  0.166212  0.336595  1
  Si  Si192  1  0.166639  0.166702  0.666436  1
  Si  Si193  1  0.166694  0.501435  0.999332  1
  Si  Si194  1  0.166128  0.501354  0.334698  1
  Si  Si195  1  0.166540  0.500430  0.666506  1
  Si  Si196  1  0.166639  0.832921  0.999977  1
  Si  Si197  1  0.166921  0.832700  0.334020  1
  Si  Si198  1  0.166665  0.832920  0.666383  1
  Si  Si199  1  0.500435  0.166654  0.999969  1
  Si  Si200  1  0.500666  0.166449  0.334058  1
  Si  Si201  1  0.500410  0.166684  0.666370  1
  Si  Si202  1  0.500664  0.500752  0.999895  1
  Si  Si203  1  0.500095  0.499884  0.333346  1
  Si  Si204  1  0.499988  0.500056  0.666679  1
  Si  Si205  1  0.500527  0.832836  0.000033  1
  Si  Si206  1  0.499632  0.833702  0.333313  1
  Si  Si207  1  0.499881  0.833350  0.666712  1
  Si  Si208  1  0.831873  0.166657  0.999317  1
  Si  Si209  1  0.831988  0.167136  0.334754  1
  Si  Si210  1  0.832899  0.166743  0.666562  1
  Si  Si211  1  0.833753  0.499537  0.999866  1
  Si  Si212  1  0.832679  0.500700  0.333366  1
  Si  Si213  1  0.833309  0.499941  0.666830  1
  Si  Si214  1  0.832604  0.832608  0.999862  1
  Si  Si215  1  0.833379  0.833251  0.333421  1
  Si  Si216  1  0.833294  0.833356  0.666731  1
  As  As217  1  0.124805  0.208276  0.125232  1
