# 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  0.249639  0.252328  0.084350  1
  Si  Si2  1  0.250767  0.249581  0.417663  1
  Si  Si3  1  0.249719  0.249489  0.749862  1
  Si  Si4  1  0.253485  0.585994  0.084410  1
  Si  Si5  1  0.251271  0.584321  0.418668  1
  Si  Si6  1  0.250070  0.582809  0.750415  1
  Si  Si7  1  0.249892  0.917045  0.083639  1
  Si  Si8  1  0.250547  0.916812  0.416759  1
  Si  Si9  1  0.250003  0.916418  0.750814  1
  Si  Si10  1  0.583136  0.249286  0.083366  1
  Si  Si11  1  0.583860  0.249663  0.416407  1
  Si  Si12  1  0.582574  0.249182  0.749326  1
  Si  Si13  1  0.583624  0.582988  0.083525  1
  Si  Si14  1  0.584357  0.583074  0.416892  1
  Si  Si15  1  0.583641  0.582558  0.750564  1
  Si  Si16  1  0.581401  0.914549  0.083700  1
  Si  Si17  1  0.583682  0.916260  0.416706  1
  Si  Si18  1  0.583128  0.916030  0.750054  1
  Si  Si19  1  0.903850  0.237563  0.079562  1
  Si  Si20  1  0.917223  0.249789  0.415655  1
  Si  Si21  1  0.916009  0.248693  0.748783  1
  Si  Si22  1  0.917975  0.583936  0.083467  1
  Si  Si23  1  0.917053  0.582471  0.416353  1
  Si  Si24  1  0.916806  0.582747  0.749629  1
  Si  Si25  1  0.916541  0.915995  0.083205  1
  Si  Si26  1  0.916965  0.916279  0.416712  1
  Si  Si27  1  0.916388  0.914960  0.748851  1
  Si  Si28  1  0.999594  0.999369  0.999569  1
  Si  Si29  1  0.000023  0.999617  0.333291  1
  Si  Si30  1  0.999448  0.997449  0.664274  1
  Si  Si31  1  0.970802  0.306573  0.969224  1
  Si  Si32  1  0.001297  0.333151  0.332749  1
  Si  Si33  1  0.999755  0.332458  0.666049  1
  Si  Si34  1  0.000488  0.667254  0.999951  1
  Si  Si35  1  0.000196  0.670127  0.337436  1
  Si  Si36  1  0.000175  0.666294  0.666465  1
  Si  Si37  1  0.332513  0.000698  0.000024  1
  Si  Si38  1  0.333528  0.000199  0.333184  1
  Si  Si39  1  0.333059  0.999381  0.666876  1
  Si  Si40  1  0.334096  0.333103  0.000336  1
  Si  Si41  1  0.339212  0.332409  0.339316  1
  Si  Si42  1  0.333500  0.332728  0.666581  1
  Si  Si43  1  0.335601  0.668344  0.000567  1
  Si  Si44  1  0.333986  0.666769  0.333682  1
  Si  Si45  1  0.333757  0.666394  0.667404  1
  Si  Si46  1  0.663133  0.995896  0.999198  1
  Si  Si47  1  0.666820  0.999487  0.333014  1
  Si  Si48  1  0.666389  0.999192  0.666247  1
  Si  Si49  1  0.666372  0.332311  0.999635  1
  Si  Si50  1  0.667376  0.332605  0.332710  1
  Si  Si51  1  0.666015  0.332129  0.665554  1
  Si  Si52  1  0.666707  0.666374  0.000073  1
  Si  Si53  1  0.667688  0.665994  0.333249  1
  Si  Si54  1  0.666742  0.665537  0.666617  1
  Si  Si55  1  0.249999  0.083813  0.250060  1
  Si  Si56  1  0.250143  0.082804  0.583337  1
  Si  Si57  1  0.248353  0.084945  0.917843  1
  Si  Si58  1  0.259567  0.419383  0.260072  1
  Si  Si59  1  0.250418  0.416433  0.583550  1
  Si  Si60  1  0.250515  0.415005  0.916235  1
  Si  Si61  1  0.250963  0.750757  0.250502  1
  Si  Si62  1  0.250673  0.750299  0.584399  1
  Si  Si63  1  0.250271  0.749838  0.917257  1
  Si  Si64  1  0.583268  0.082918  0.250087  1
  Si  Si65  1  0.583178  0.082892  0.583104  1
  Si  Si66  1  0.582412  0.082374  0.916417  1
  Si  Si67  1  0.583888  0.416350  0.250084  1
  Si  Si68  1  0.584481  0.416418  0.583482  1
  Si  Si69  1  0.583284  0.416041  0.916643  1
  Si  Si70  1  0.584265  0.749698  0.250362  1
  Si  Si71  1  0.583700  0.749478  0.583514  1
  Si  Si72  1  0.582910  0.749423  0.916933  1
  Si  Si73  1  0.916632  0.082469  0.249510  1
  Si  Si74  1  0.916610  0.082809  0.582411  1
  Si  Si75  1  0.915345  0.080386  0.914797  1
  Si  Si76  1  0.919608  0.415546  0.246899  1
  Si  Si77  1  0.916806  0.416087  0.582811  1
  Si  Si78  1  0.910336  0.419574  0.910682  1
  Si  Si79  1  0.917221  0.750062  0.250440  1
  Si  Si80  1  0.916881  0.749116  0.582838  1
  Si  Si81  1  0.916832  0.749779  0.916295  1
  Si  Si82  1  0.998641  0.166574  0.165698  1
  Si  Si83  1  0.000021  0.166362  0.499434  1
  Si  Si84  1  0.998459  0.159877  0.827072  1
  Si  Si85  1  0.001906  0.509564  0.173766  1
  Si  Si86  1  0.000359  0.499653  0.500015  1
  Si  Si87  1  0.000517  0.499708  0.832572  1
  Si  Si88  1  0.000173  0.833390  0.166834  1
  Si  Si89  1  0.999926  0.833609  0.500711  1
  Si  Si90  1  0.000067  0.832956  0.833004  1
  Si  Si91  1  0.332813  0.167540  0.166689  1
  Si  Si92  1  0.333589  0.166067  0.500515  1
  Si  Si93  1  0.332584  0.166415  0.833741  1
  Si  Si94  1  0.335200  0.500616  0.168025  1
  Si  Si95  1  0.334394  0.500027  0.501267  1
  Si  Si96  1  0.333380  0.499178  0.833388  1
  Si  Si97  1  0.333703  0.834067  0.166921  1
  Si  Si98  1  0.333592  0.833221  0.500209  1
  Si  Si99  1  0.333285  0.833006  0.833753  1
  Si  Si100  1  0.666242  0.165730  0.166468  1
  Si  Si101  1  0.666554  0.165894  0.499459  1
  Si  Si102  1  0.665332  0.165501  0.832359  1
  Si  Si103  1  0.666956  0.499688  0.166657  1
  Si  Si104  1  0.667650  0.499203  0.499517  1
  Si  Si105  1  0.666996  0.499112  0.833604  1
  Si  Si106  1  0.666652  0.832900  0.166606  1
  Si  Si107  1  0.666902  0.832646  0.499850  1
  Si  Si108  1  0.666184  0.831982  0.832982  1
  Si  Si109  1  0.084988  0.250535  0.249677  1
  Si  Si110  1  0.083529  0.249411  0.582907  1
  Si  Si111  1  0.081853  0.242619  0.906859  1
  Si  Si112  1  0.085205  0.589385  0.256523  1
  Si  Si113  1  0.083691  0.583173  0.583255  1
  Si  Si114  1  0.083120  0.583704  0.916436  1
  Si  Si115  1  0.083706  0.916875  0.249893  1
  Si  Si116  1  0.083765  0.915619  0.582681  1
  Si  Si117  1  0.083323  0.916207  0.916571  1
  Si  Si118  1  0.417352  0.249851  0.250523  1
  Si  Si119  1  0.417054  0.249579  0.583349  1
  Si  Si120  1  0.416713  0.249577  0.916491  1
  Si  Si121  1  0.418289  0.583875  0.250699  1
  Si  Si122  1  0.417532  0.583271  0.584261  1
  Si  Si123  1  0.416712  0.582696  0.917137  1
  Si  Si124  1  0.417136  0.916808  0.250329  1
  Si  Si125  1  0.416866  0.916332  0.583579  1
  Si  Si126  1  0.416017  0.916726  0.917081  1
  Si  Si127  1  0.750797  0.249569  0.248789  1
  Si  Si128  1  0.749957  0.249334  0.582227  1
  Si  Si129  1  0.748406  0.248198  0.915605  1
  Si  Si130  1  0.751105  0.582460  0.249802  1
  Si  Si131  1  0.750407  0.582473  0.583265  1
  Si  Si132  1  0.750372  0.582833  0.917114  1
  Si  Si133  1  0.750090  0.915773  0.250119  1
  Si  Si134  1  0.750146  0.916017  0.582999  1
  Si  Si135  1  0.749314  0.914965  0.916230  1
  Si  Si136  1  0.166466  0.000657  0.166458  1
  Si  Si137  1  0.166771  0.999543  0.499964  1
  Si  Si138  1  0.166624  0.999914  0.833779  1
  Si  Si139  1  0.179715  0.336676  0.178580  1
  Si  Si140  1  0.167106  0.333042  0.500248  1
  Si  Si141  1  0.165767  0.332818  0.832322  1
  Si  Si142  1  0.167651  0.667532  0.167571  1
  Si  Si143  1  0.167341  0.667396  0.501296  1
  Si  Si144  1  0.166917  0.666606  0.833440  1
  Si  Si145  1  0.499807  0.999872  0.166567  1
  Si  Si146  1  0.500071  0.999462  0.499917  1
  Si  Si147  1  0.499288  0.999285  0.833131  1
  Si  Si148  1  0.500489  0.332900  0.166943  1
  Si  Si149  1  0.502278  0.332540  0.501737  1
  Si  Si150  1  0.500068  0.332694  0.833185  1
  Si  Si151  1  0.501092  0.666853  0.167008  1
  Si  Si152  1  0.500571  0.666181  0.500164  1
  Si  Si153  1  0.500071  0.665737  0.833703  1
  Si  Si154  1  0.832868  0.998643  0.166607  1
  Si  Si155  1  0.833211  0.999495  0.499454  1
  Si  Si156  1  0.832425  0.997549  0.831923  1
  Si  Si157  1  0.833990  0.331829  0.163942  1
  Si  Si158  1  0.833763  0.332608  0.499247  1
  Si  Si159  1  0.830119  0.331789  0.830255  1
  Si  Si160  1  0.833990  0.666376  0.166787  1
  Si  Si161  1  0.833653  0.665418  0.499823  1
  Si  Si162  1  0.833651  0.665789  0.833404  1
  Si  Si163  1  0.082319  0.083492  0.083094  1
  Si  Si164  1  0.083671  0.082946  0.416670  1
  Si  Si165  1  0.083465  0.078952  0.746275  1
  Si  Si166  1  0.113021  0.447296  0.109737  1
  Si  Si167  1  0.084064  0.416660  0.416842  1
  Si  Si168  1  0.083210  0.416272  0.748995  1
  Si  Si169  1  0.083923  0.750232  0.083763  1
  Si  Si170  1  0.084291  0.752071  0.418907  1
  Si  Si171  1  0.083567  0.749731  0.749872  1
  Si  Si172  1  0.416250  0.083615  0.083675  1
  Si  Si173  1  0.416917  0.083211  0.416792  1
  Si  Si174  1  0.415994  0.082953  0.750214  1
  Si  Si175  1  0.417261  0.416619  0.083896  1
  Si  Si176  1  0.420517  0.417006  0.420343  1
  Si  Si177  1  0.417017  0.416188  0.749839  1
  Si  Si178  1  0.417667  0.750728  0.084152  1
  Si  Si179  1  0.417326  0.749982  0.416992  1
  Si  Si180  1  0.416969  0.749659  0.750701  1
  Si  Si181  1  0.744340  0.076955  0.083850  1
  Si  Si182  1  0.750184  0.083061  0.416076  1
  Si  Si183  1  0.749690  0.082529  0.749483  1
  Si  Si184  1  0.749566  0.415842  0.083140  1
  Si  Si185  1  0.751167  0.416249  0.415584  1
  Si  Si186  1  0.748091  0.415703  0.747952  1
  Si  Si187  1  0.750247  0.749639  0.083513  1
  Si  Si188  1  0.750666  0.749361  0.416771  1
  Si  Si189  1  0.749968  0.748855  0.749847  1
  Si  Si190  1  0.164065  0.169304  0.000734  1
  Si  Si191  1  0.167007  0.166738  0.333799  1
  Si  Si192  1  0.166489  0.165808  0.666227  1
  Si  Si193  1  0.173293  0.505605  0.996568  1
  Si  Si194  1  0.168302  0.501495  0.335861  1
  Si  Si195  1  0.166900  0.499873  0.666446  1
  Si  Si196  1  0.166886  0.833446  0.000133  1
  Si  Si197  1  0.167096  0.833885  0.333468  1
  Si  Si198  1  0.166811  0.833410  0.667072  1
  Si  Si199  1  0.499767  0.166173  0.999866  1
  Si  Si200  1  0.500361  0.166221  0.333304  1
  Si  Si201  1  0.499441  0.165792  0.666494  1
  Si  Si202  1  0.500382  0.499573  0.000147  1
  Si  Si203  1  0.501193  0.499795  0.333822  1
  Si  Si204  1  0.500829  0.499348  0.666830  1
  Si  Si205  1  0.499213  0.832761  0.999850  1
  Si  Si206  1  0.500530  0.833101  0.333251  1
  Si  Si207  1  0.500055  0.832678  0.666730  1
  Si  Si208  1  0.823991  0.156132  0.996832  1
  Si  Si209  1  0.833674  0.166218  0.332493  1
  Si  Si210  1  0.832720  0.165769  0.665543  1
  Si  Si211  1  0.833211  0.499975  0.001322  1
  Si  Si212  1  0.835350  0.498387  0.331286  1
  Si  Si213  1  0.833438  0.498970  0.666409  1
  Si  Si214  1  0.833320  0.832667  0.999767  1
  Si  Si215  1  0.833568  0.832980  0.333380  1
  Si  Si216  1  0.833064  0.831859  0.665944  1
  Se  Se217  1  0.041536  0.330609  0.086167  1