# generated using pymatgen
data_Si216Se
_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   Si216Se
_chemical_formula_sum   'Si216 Se1'
_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  0.249926  0.251532  0.083801  1
  Si  Si2  1  0.256311  0.251515  0.422552  1
  Si  Si3  1  0.250078  0.250197  0.750361  1
  Si  Si4  1  0.250675  0.583916  0.083313  1
  Si  Si5  1  0.250757  0.584682  0.417275  1
  Si  Si6  1  0.250503  0.583554  0.750283  1
  Si  Si7  1  0.248948  0.917387  0.083022  1
  Si  Si8  1  0.249930  0.917642  0.415961  1
  Si  Si9  1  0.250312  0.916568  0.749226  1
  Si  Si10  1  0.583044  0.250145  0.082996  1
  Si  Si11  1  0.583401  0.250254  0.416772  1
  Si  Si12  1  0.582780  0.250274  0.749037  1
  Si  Si13  1  0.583636  0.583614  0.083253  1
  Si  Si14  1  0.584336  0.584034  0.416854  1
  Si  Si15  1  0.583787  0.583387  0.749972  1
  Si  Si16  1  0.582437  0.916563  0.082981  1
  Si  Si17  1  0.583325  0.916898  0.416006  1
  Si  Si18  1  0.583214  0.916603  0.749594  1
  Si  Si19  1  0.906980  0.248683  0.076016  1
  Si  Si20  1  0.916630  0.249747  0.417166  1
  Si  Si21  1  0.916816  0.249761  0.749842  1
  Si  Si22  1  0.916821  0.583177  0.083239  1
  Si  Si23  1  0.917239  0.583226  0.416309  1
  Si  Si24  1  0.917262  0.582572  0.750314  1
  Si  Si25  1  0.915906  0.915212  0.081910  1
  Si  Si26  1  0.917245  0.916842  0.416353  1
  Si  Si27  1  0.916445  0.915821  0.748620  1
  Si  Si28  1  0.997324  0.990798  0.990079  1
  Si  Si29  1  0.001291  0.999700  0.333581  1
  Si  Si30  1  0.999950  0.999755  0.666296  1
  Si  Si31  1  0.000806  0.330657  0.002805  1
  Si  Si32  1  0.996700  0.339630  0.339016  1
  Si  Si33  1  0.000205  0.333304  0.667027  1
  Si  Si34  1  0.000085  0.666258  0.999802  1
  Si  Si35  1  0.000269  0.666811  0.333190  1
  Si  Si36  1  0.999977  0.665729  0.666390  1
  Si  Si37  1  0.332651  0.000204  0.999734  1
  Si  Si38  1  0.331408  0.001845  0.331940  1
  Si  Si39  1  0.333496  0.000031  0.666501  1
  Si  Si40  1  0.333997  0.333524  0.000227  1
  Si  Si41  1  0.335636  0.334686  0.334897  1
  Si  Si42  1  0.333551  0.333569  0.667376  1
  Si  Si43  1  0.333494  0.666892  0.999776  1
  Si  Si44  1  0.333895  0.667679  0.333349  1
  Si  Si45  1  0.333434  0.666933  0.666662  1
  Si  Si46  1  0.665793  0.999315  0.999480  1
  Si  Si47  1  0.666468  0.999916  0.332588  1
  Si  Si48  1  0.666132  0.999545  0.665510  1
  Si  Si49  1  0.666420  0.333019  0.999464  1
  Si  Si50  1  0.666629  0.333379  0.333500  1
  Si  Si51  1  0.667164  0.333355  0.666985  1
  Si  Si52  1  0.666814  0.665991  0.999521  1
  Si  Si53  1  0.666895  0.667303  0.332974  1
  Si  Si54  1  0.666905  0.666574  0.666365  1
  Si  Si55  1  0.247130  0.085895  0.249122  1
  Si  Si56  1  0.250504  0.083629  0.583638  1
  Si  Si57  1  0.249777  0.083098  0.915992  1
  Si  Si58  1  0.259889  0.425751  0.252686  1
  Si  Si59  1  0.250548  0.417327  0.584201  1
  Si  Si60  1  0.250215  0.416424  0.917355  1
  Si  Si61  1  0.250275  0.750406  0.249920  1
  Si  Si62  1  0.250546  0.750613  0.583281  1
  Si  Si63  1  0.250275  0.749628  0.916529  1
  Si  Si64  1  0.582905  0.083338  0.249756  1
  Si  Si65  1  0.583056  0.083357  0.582706  1
  Si  Si66  1  0.582615  0.083075  0.916463  1
  Si  Si67  1  0.583740  0.416887  0.250121  1
  Si  Si68  1  0.584463  0.417193  0.583883  1
  Si  Si69  1  0.583549  0.416553  0.916430  1
  Si  Si70  1  0.583617  0.750873  0.250032  1
  Si  Si71  1  0.583714  0.750185  0.583164  1
  Si  Si72  1  0.583372  0.749601  0.916644  1
  Si  Si73  1  0.910959  0.076921  0.253313  1
  Si  Si74  1  0.916454  0.083254  0.583441  1
  Si  Si75  1  0.915111  0.081858  0.914345  1
  Si  Si76  1  0.916390  0.416863  0.248722  1
  Si  Si77  1  0.917351  0.416704  0.583505  1
  Si  Si78  1  0.918036  0.414781  0.918540  1
  Si  Si79  1  0.916883  0.749739  0.249758  1
  Si  Si80  1  0.917084  0.749332  0.583095  1
  Si  Si81  1  0.916667  0.748919  0.916141  1
  Si  Si82  1  0.968510  0.136464  0.139156  1
  Si  Si83  1  0.000023  0.166900  0.500749  1
  Si  Si84  1  0.999811  0.166003  0.833042  1
  Si  Si85  1  0.000534  0.500380  0.166713  1
  Si  Si86  1  0.000598  0.502013  0.501923  1
  Si  Si87  1  0.000167  0.498979  0.834194  1
  Si  Si88  1  0.999796  0.832841  0.165906  1
  Si  Si89  1  0.000165  0.833105  0.499950  1
  Si  Si90  1  0.999492  0.829650  0.829592  1
  Si  Si91  1  0.332799  0.167717  0.166608  1
  Si  Si92  1  0.337284  0.166609  0.503463  1
  Si  Si93  1  0.333536  0.166452  0.833032  1
  Si  Si94  1  0.339250  0.505543  0.165878  1
  Si  Si95  1  0.333719  0.500347  0.500187  1
  Si  Si96  1  0.333348  0.499939  0.833692  1
  Si  Si97  1  0.332853  0.833840  0.166044  1
  Si  Si98  1  0.333358  0.834090  0.499506  1
  Si  Si99  1  0.333179  0.833219  0.833002  1
  Si  Si100  1  0.666165  0.166250  0.166060  1
  Si  Si101  1  0.666659  0.166662  0.499862  1
  Si  Si102  1  0.664374  0.165988  0.830981  1
  Si  Si103  1  0.666773  0.499965  0.166376  1
  Si  Si104  1  0.667494  0.500254  0.499981  1
  Si  Si105  1  0.667087  0.499554  0.833015  1
  Si  Si106  1  0.665698  0.832477  0.165818  1
  Si  Si107  1  0.666694  0.833238  0.499160  1
  Si  Si108  1  0.666501  0.832878  0.832896  1
  Si  Si109  1  0.110571  0.279879  0.281078  1
  Si  Si110  1  0.083910  0.250379  0.583791  1
  Si  Si111  1  0.083383  0.248880  0.917138  1
  Si  Si112  1  0.084094  0.583740  0.250201  1
  Si  Si113  1  0.084225  0.584186  0.584294  1
  Si  Si114  1  0.083898  0.582821  0.917122  1
  Si  Si115  1  0.083330  0.916172  0.249456  1
  Si  Si116  1  0.083737  0.916653  0.583257  1
  Si  Si117  1  0.084125  0.911029  0.910697  1
  Si  Si118  1  0.416953  0.250567  0.250189  1
  Si  Si119  1  0.418925  0.250683  0.585479  1
  Si  Si120  1  0.416949  0.250170  0.916464  1
  Si  Si121  1  0.420402  0.586946  0.250484  1
  Si  Si122  1  0.417151  0.583732  0.583458  1
  Si  Si123  1  0.417041  0.583339  0.916850  1
  Si  Si124  1  0.415749  0.917636  0.249828  1
  Si  Si125  1  0.416971  0.917092  0.582934  1
  Si  Si126  1  0.416304  0.916654  0.916628  1
  Si  Si127  1  0.749293  0.249690  0.249935  1
  Si  Si128  1  0.750113  0.250130  0.583423  1
  Si  Si129  1  0.746452  0.250004  0.912581  1
  Si  Si130  1  0.750060  0.583573  0.249898  1
  Si  Si131  1  0.750844  0.583464  0.583344  1
  Si  Si132  1  0.750529  0.582498  0.916694  1
  Si  Si133  1  0.748137  0.914586  0.249421  1
  Si  Si134  1  0.750058  0.916463  0.582508  1
  Si  Si135  1  0.749778  0.916246  0.916303  1
  Si  Si136  1  0.164317  0.000475  0.165297  1
  Si  Si137  1  0.166856  0.000478  0.499835  1
  Si  Si138  1  0.166905  0.999353  0.832139  1
  Si  Si139  1  0.178760  0.346019  0.169447  1
  Si  Si140  1  0.167581  0.334059  0.500795  1
  Si  Si141  1  0.166648  0.332958  0.834082  1
  Si  Si142  1  0.167161  0.667022  0.166383  1
  Si  Si143  1  0.167163  0.667535  0.500316  1
  Si  Si144  1  0.166778  0.666287  0.833319  1
  Si  Si145  1  0.499412  0.000313  0.166171  1
  Si  Si146  1  0.500002  0.000160  0.498943  1
  Si  Si147  1  0.499702  0.999675  0.833026  1
  Si  Si148  1  0.500435  0.333680  0.166556  1
  Si  Si149  1  0.501358  0.333879  0.500871  1
  Si  Si150  1  0.500210  0.333236  0.833011  1
  Si  Si151  1  0.501917  0.668749  0.166047  1
  Si  Si152  1  0.500381  0.667110  0.499770  1
  Si  Si153  1  0.500169  0.666549  0.833112  1
  Si  Si154  1  0.830606  0.996733  0.165560  1
  Si  Si155  1  0.833591  0.000125  0.499312  1
  Si  Si156  1  0.832280  0.998964  0.831297  1
  Si  Si157  1  0.832627  0.332257  0.166303  1
  Si  Si158  1  0.833686  0.333379  0.500115  1
  Si  Si159  1  0.834007  0.333081  0.833452  1
  Si  Si160  1  0.833501  0.666546  0.166322  1
  Si  Si161  1  0.833818  0.666552  0.499335  1
  Si  Si162  1  0.833409  0.665820  0.832960  1
  Si  Si163  1  0.080481  0.070628  0.071209  1
  Si  Si164  1  0.083642  0.084332  0.417396  1
  Si  Si165  1  0.083478  0.082957  0.749566  1
  Si  Si166  1  0.084616  0.416124  0.085607  1
  Si  Si167  1  0.084392  0.419855  0.419398  1
  Si  Si168  1  0.083817  0.416331  0.750494  1
  Si  Si169  1  0.083665  0.749618  0.082856  1
  Si  Si170  1  0.083733  0.750084  0.416500  1
  Si  Si171  1  0.083938  0.747853  0.748112  1
  Si  Si172  1  0.415868  0.083691  0.083310  1
  Si  Si173  1  0.416502  0.083521  0.416002  1
  Si  Si174  1  0.417009  0.083394  0.749715  1
  Si  Si175  1  0.417890  0.417284  0.083081  1
  Si  Si176  1  0.418660  0.417636  0.417675  1
  Si  Si177  1  0.416986  0.416973  0.750300  1
  Si  Si178  1  0.416699  0.750355  0.083207  1
  Si  Si179  1  0.417084  0.750769  0.416614  1
  Si  Si180  1  0.416972  0.750053  0.749837  1
  Si  Si181  1  0.749189  0.082554  0.082405  1
  Si  Si182  1  0.749864  0.083296  0.416227  1
  Si  Si183  1  0.749115  0.082835  0.748650  1
  Si  Si184  1  0.750193  0.416145  0.083164  1
  Si  Si185  1  0.750655  0.416570  0.416409  1
  Si  Si186  1  0.751045  0.416468  0.749994  1
  Si  Si187  1  0.749705  0.749124  0.082907  1
  Si  Si188  1  0.750671  0.750062  0.416222  1
  Si  Si189  1  0.750317  0.749582  0.749700  1
  Si  Si190  1  0.166188  0.165087  0.000040  1
  Si  Si191  1  0.173782  0.167884  0.342821  1
  Si  Si192  1  0.166981  0.166569  0.666969  1
  Si  Si193  1  0.166895  0.499262  0.001010  1
  Si  Si194  1  0.168088  0.501377  0.334114  1
  Si  Si195  1  0.167048  0.500102  0.667535  1
  Si  Si196  1  0.166718  0.832672  0.999262  1
  Si  Si197  1  0.166817  0.833416  0.333221  1
  Si  Si198  1  0.166795  0.833000  0.666464  1
  Si  Si199  1  0.499670  0.166484  0.999942  1
  Si  Si200  1  0.500139  0.166847  0.333251  1
  Si  Si201  1  0.500864  0.166361  0.667027  1
  Si  Si202  1  0.500888  0.500029  0.999681  1
  Si  Si203  1  0.501371  0.500819  0.333588  1
  Si  Si204  1  0.500401  0.500089  0.666830  1
  Si  Si205  1  0.499751  0.833064  0.999512  1
  Si  Si206  1  0.499669  0.834035  0.332717  1
  Si  Si207  1  0.500045  0.833324  0.666279  1
  Si  Si208  1  0.827333  0.165034  0.993522  1
  Si  Si209  1  0.832894  0.166869  0.333350  1
  Si  Si210  1  0.833212  0.166496  0.666620  1
  Si  Si211  1  0.834081  0.498973  0.000104  1
  Si  Si212  1  0.833647  0.499784  0.332770  1
  Si  Si213  1  0.833937  0.499720  0.666666  1
  Si  Si214  1  0.832728  0.831927  0.999259  1
  Si  Si215  1  0.833732  0.833339  0.332781  1
  Si  Si216  1  0.833190  0.832632  0.665658  1
  Se  Se217  1  0.085295  0.208569  0.164014  1