# generated using pymatgen
data_Si215Se
_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   Si215Se
_chemical_formula_sum   'Si215 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  0.249993  0.249978  0.417658  1
  Si  Si2  1  0.249976  0.250025  0.748895  1
  Si  Si3  1  0.249983  0.584383  0.083304  1
  Si  Si4  1  0.250214  0.583471  0.416779  1
  Si  Si5  1  0.249735  0.583526  0.749809  1
  Si  Si6  1  0.250002  0.915623  0.083363  1
  Si  Si7  1  0.249708  0.916567  0.416790  1
  Si  Si8  1  0.250286  0.916545  0.749916  1
  Si  Si9  1  0.584394  0.250027  0.083273  1
  Si  Si10  1  0.583490  0.250280  0.416774  1
  Si  Si11  1  0.583449  0.249740  0.749801  1
  Si  Si12  1  0.583408  0.583483  0.083621  1
  Si  Si13  1  0.583468  0.583584  0.416863  1
  Si  Si14  1  0.583362  0.583497  0.749767  1
  Si  Si15  1  0.583499  0.916531  0.083028  1
  Si  Si16  1  0.583421  0.916552  0.416843  1
  Si  Si17  1  0.583581  0.916530  0.749819  1
  Si  Si18  1  0.915602  0.250033  0.083355  1
  Si  Si19  1  0.916479  0.249680  0.416759  1
  Si  Si20  1  0.916542  0.250291  0.749823  1
  Si  Si21  1  0.916459  0.583408  0.083015  1
  Si  Si22  1  0.916597  0.583390  0.416863  1
  Si  Si23  1  0.916392  0.583559  0.749784  1
  Si  Si24  1  0.916505  0.916466  0.083667  1
  Si  Si25  1  0.916447  0.916345  0.416881  1
  Si  Si26  1  0.916667  0.916706  0.750060  1
  Si  Si27  1  0.999514  0.999500  0.999199  1
  Si  Si28  1  0.999720  0.999730  0.333554  1
  Si  Si29  1  0.999816  0.999815  0.666498  1
  Si  Si30  1  0.998463  0.333352  0.999977  1
  Si  Si31  1  0.999486  0.334160  0.333781  1
  Si  Si32  1  0.999781  0.333424  0.666417  1
  Si  Si33  1  0.999771  0.666815  0.999926  1
  Si  Si34  1  0.999765  0.666820  0.333605  1
  Si  Si35  1  0.999946  0.666765  0.666699  1
  Si  Si36  1  0.333355  0.998483  0.000015  1
  Si  Si37  1  0.334204  0.999555  0.333786  1
  Si  Si38  1  0.333293  0.999885  0.666461  1
  Si  Si39  1  0.339169  0.339197  0.994066  1
  Si  Si40  1  0.333326  0.333345  0.334814  1
  Si  Si41  1  0.333507  0.333514  0.666161  1
  Si  Si42  1  0.333566  0.667095  0.999841  1
  Si  Si43  1  0.333261  0.666841  0.333449  1
  Si  Si44  1  0.333480  0.666758  0.666629  1
  Si  Si45  1  0.666872  0.999840  0.999930  1
  Si  Si46  1  0.666800  0.999710  0.333529  1
  Si  Si47  1  0.666807  0.999963  0.666616  1
  Si  Si48  1  0.667125  0.333537  0.999775  1
  Si  Si49  1  0.666826  0.333431  0.333507  1
  Si  Si50  1  0.666695  0.333382  0.666532  1
  Si  Si51  1  0.666659  0.666599  0.999836  1
  Si  Si52  1  0.666723  0.666779  0.333487  1
  Si  Si53  1  0.666648  0.666890  0.666570  1
  Si  Si54  1  0.247984  0.081978  0.251317  1
  Si  Si55  1  0.249904  0.083105  0.583282  1
  Si  Si56  1  0.252027  0.082015  0.915342  1
  Si  Si57  1  0.251949  0.417996  0.251316  1
  Si  Si58  1  0.249972  0.416928  0.583275  1
  Si  Si59  1  0.247971  0.418036  0.915267  1
  Si  Si60  1  0.249896  0.750032  0.250241  1
  Si  Si61  1  0.250073  0.750123  0.583345  1
  Si  Si62  1  0.250024  0.749940  0.916421  1
  Si  Si63  1  0.583878  0.083284  0.250022  1
  Si  Si64  1  0.583600  0.083260  0.583306  1
  Si  Si65  1  0.583839  0.082853  0.916159  1
  Si  Si66  1  0.583778  0.417163  0.250478  1
  Si  Si67  1  0.583527  0.416769  0.583292  1
  Si  Si68  1  0.583846  0.416750  0.916537  1
  Si  Si69  1  0.583488  0.750053  0.250188  1
  Si  Si70  1  0.583261  0.750140  0.583310  1
  Si  Si71  1  0.583547  0.749966  0.916528  1
  Si  Si72  1  0.916085  0.082794  0.250490  1
  Si  Si73  1  0.916457  0.083168  0.583348  1
  Si  Si74  1  0.916178  0.083283  0.916634  1
  Si  Si75  1  0.916104  0.416725  0.250067  1
  Si  Si76  1  0.916411  0.416835  0.583310  1
  Si  Si77  1  0.916115  0.417130  0.916136  1
  Si  Si78  1  0.916402  0.749861  0.250136  1
  Si  Si79  1  0.916621  0.750003  0.583495  1
  Si  Si80  1  0.916421  0.750023  0.916589  1
  Si  Si81  1  0.998429  0.166633  0.166697  1
  Si  Si82  1  0.999758  0.166581  0.500159  1
  Si  Si83  1  0.999533  0.165834  0.832867  1
  Si  Si84  1  0.999480  0.500437  0.167501  1
  Si  Si85  1  0.999831  0.500228  0.500265  1
  Si  Si86  1  0.999729  0.500210  0.833077  1
  Si  Si87  1  0.999766  0.833052  0.166762  1
  Si  Si88  1  0.999906  0.833205  0.500162  1
  Si  Si89  1  0.999783  0.833204  0.833241  1
  Si  Si90  1  0.339170  0.160811  0.172502  1
  Si  Si91  1  0.333497  0.166483  0.500414  1
  Si  Si92  1  0.333323  0.166670  0.831769  1
  Si  Si93  1  0.333304  0.501492  0.166635  1
  Si  Si94  1  0.333339  0.500172  0.500125  1
  Si  Si95  1  0.334177  0.500501  0.832810  1
  Si  Si96  1  0.333505  0.832891  0.166875  1
  Si  Si97  1  0.333447  0.833423  0.500012  1
  Si  Si98  1  0.333382  0.833142  0.833195  1
  Si  Si99  1  0.667130  0.166508  0.166791  1
  Si  Si100  1  0.666734  0.166516  0.499932  1
  Si  Si101  1  0.666814  0.166676  0.833142  1
  Si  Si102  1  0.666793  0.500187  0.166735  1
  Si  Si103  1  0.666707  0.500153  0.500054  1
  Si  Si104  1  0.666779  0.500240  0.832967  1
  Si  Si105  1  0.666649  0.833255  0.166745  1
  Si  Si106  1  0.666745  0.833302  0.500142  1
  Si  Si107  1  0.666765  0.833327  0.833299  1
  Si  Si108  1  0.081965  0.247972  0.251340  1
  Si  Si109  1  0.083000  0.250043  0.583237  1
  Si  Si110  1  0.082000  0.252008  0.915325  1
  Si  Si111  1  0.083214  0.583860  0.250011  1
  Si  Si112  1  0.083269  0.583589  0.583369  1
  Si  Si113  1  0.082800  0.583830  0.916140  1
  Si  Si114  1  0.082774  0.916093  0.250504  1
  Si  Si115  1  0.083233  0.916453  0.583417  1
  Si  Si116  1  0.083333  0.916185  0.916676  1
  Si  Si117  1  0.417995  0.252028  0.251283  1
  Si  Si118  1  0.416938  0.249954  0.583325  1
  Si  Si119  1  0.418010  0.248008  0.915265  1
  Si  Si120  1  0.417087  0.583830  0.250482  1
  Si  Si121  1  0.416716  0.583563  0.583263  1
  Si  Si122  1  0.416744  0.583875  0.916527  1
  Si  Si123  1  0.416755  0.916166  0.250068  1
  Si  Si124  1  0.416767  0.916681  0.583243  1
  Si  Si125  1  0.417164  0.916123  0.916220  1
  Si  Si126  1  0.749950  0.249999  0.250279  1
  Si  Si127  1  0.750054  0.249947  0.583214  1
  Si  Si128  1  0.750019  0.250037  0.916357  1
  Si  Si129  1  0.749953  0.583467  0.250205  1
  Si  Si130  1  0.749884  0.583543  0.583313  1
  Si  Si131  1  0.749933  0.583480  0.916431  1
  Si  Si132  1  0.749919  0.916402  0.250090  1
  Si  Si133  1  0.750051  0.916551  0.583474  1
  Si  Si134  1  0.750096  0.916480  0.916618  1
  Si  Si135  1  0.166604  0.998441  0.166701  1
  Si  Si136  1  0.166560  0.999803  0.500177  1
  Si  Si137  1  0.165814  0.999579  0.832873  1
  Si  Si138  1  0.160767  0.339161  0.172506  1
  Si  Si139  1  0.166485  0.333513  0.500366  1
  Si  Si140  1  0.166622  0.333363  0.831771  1
  Si  Si141  1  0.166450  0.667127  0.166789  1
  Si  Si142  1  0.166624  0.666725  0.500078  1
  Si  Si143  1  0.166605  0.666845  0.833160  1
  Si  Si144  1  0.500495  0.999539  0.167504  1
  Si  Si145  1  0.500267  0.999882  0.500166  1
  Si  Si146  1  0.500185  0.999777  0.833132  1
  Si  Si147  1  0.501496  0.333361  0.166603  1
  Si  Si148  1  0.500176  0.333347  0.500173  1
  Si  Si149  1  0.500450  0.334225  0.832800  1
  Si  Si150  1  0.500168  0.666859  0.166787  1
  Si  Si151  1  0.500008  0.666831  0.500027  1
  Si  Si152  1  0.500222  0.666929  0.833041  1
  Si  Si153  1  0.833098  0.999773  0.166718  1
  Si  Si154  1  0.833250  0.999805  0.500102  1
  Si  Si155  1  0.833137  0.999864  0.833157  1
  Si  Si156  1  0.832820  0.333523  0.166845  1
  Si  Si157  1  0.833322  0.333449  0.499982  1
  Si  Si158  1  0.833130  0.333402  0.833067  1
  Si  Si159  1  0.833244  0.666567  0.166804  1
  Si  Si160  1  0.833337  0.666737  0.500135  1
  Si  Si161  1  0.833192  0.666809  0.833204  1
  Si  Si162  1  0.081966  0.081982  0.085356  1
  Si  Si163  1  0.082781  0.082803  0.417169  1
  Si  Si164  1  0.083287  0.083338  0.749469  1
  Si  Si165  1  0.081980  0.418001  0.081321  1
  Si  Si166  1  0.083220  0.416728  0.417146  1
  Si  Si167  1  0.082809  0.417177  0.749426  1
  Si  Si168  1  0.083017  0.749984  0.083288  1
  Si  Si169  1  0.083226  0.749951  0.416922  1
  Si  Si170  1  0.083210  0.750108  0.749908  1
  Si  Si171  1  0.418016  0.082008  0.081340  1
  Si  Si172  1  0.416765  0.083320  0.417135  1
  Si  Si173  1  0.417122  0.082819  0.749470  1
  Si  Si174  1  0.417970  0.418011  0.085248  1
  Si  Si175  1  0.417136  0.417124  0.417178  1
  Si  Si176  1  0.416714  0.416771  0.749413  1
  Si  Si177  1  0.416955  0.750006  0.083380  1
  Si  Si178  1  0.416604  0.750024  0.416813  1
  Si  Si179  1  0.416796  0.750106  0.749780  1
  Si  Si180  1  0.750030  0.083075  0.083304  1
  Si  Si181  1  0.749981  0.083087  0.416822  1
  Si  Si182  1  0.750031  0.083318  0.749818  1
  Si  Si183  1  0.749945  0.416965  0.083323  1
  Si  Si184  1  0.749997  0.416800  0.416879  1
  Si  Si185  1  0.749923  0.416761  0.749710  1
  Si  Si186  1  0.749916  0.749840  0.083353  1
  Si  Si187  1  0.749992  0.749960  0.416867  1
  Si  Si188  1  0.749961  0.750127  0.749926  1
  Si  Si189  1  0.160797  0.160803  0.994155  1
  Si  Si190  1  0.166625  0.166613  0.334844  1
  Si  Si191  1  0.166433  0.166570  0.666147  1
  Si  Si192  1  0.166631  0.501531  0.999965  1
  Si  Si193  1  0.165746  0.500482  0.333760  1
  Si  Si194  1  0.166634  0.500188  0.666463  1
  Si  Si195  1  0.166528  0.832858  0.999840  1
  Si  Si196  1  0.166565  0.833155  0.333553  1
  Si  Si197  1  0.166583  0.833328  0.666708  1
  Si  Si198  1  0.501512  0.166673  0.999965  1
  Si  Si199  1  0.500492  0.165845  0.333730  1
  Si  Si200  1  0.500184  0.166565  0.666475  1
  Si  Si201  1  0.500461  0.500483  0.999087  1
  Si  Si202  1  0.500153  0.500222  0.333551  1
  Si  Si203  1  0.500187  0.500250  0.666355  1
  Si  Si204  1  0.500212  0.833116  0.999960  1
  Si  Si205  1  0.500180  0.833152  0.333628  1
  Si  Si206  1  0.500046  0.833446  0.666564  1
  Si  Si207  1  0.832903  0.166536  0.999809  1
  Si  Si208  1  0.833088  0.166563  0.333501  1
  Si  Si209  1  0.833337  0.166570  0.666613  1
  Si  Si210  1  0.833086  0.500160  0.999874  1
  Si  Si211  1  0.833146  0.500219  0.333619  1
  Si  Si212  1  0.833140  0.500179  0.666535  1
  Si  Si213  1  0.833273  0.833246  0.999994  1
  Si  Si214  1  0.833182  0.833170  0.333440  1
  Si  Si215  1  0.833386  0.833351  0.666754  1
  Se  Se216  1  0.249991  0.250004  0.083316  1