# generated using pymatgen
data_NbSi216
_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   NbSi216
_chemical_formula_sum   'Nb1 Si216'
_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
  Nb  Nb1  1  0.083133  0.250204  0.083534  1
  Si  Si2  1  0.252822  0.250157  0.083511  1
  Si  Si3  1  0.249692  0.249712  0.417127  1
  Si  Si4  1  0.249687  0.250696  0.749988  1
  Si  Si5  1  0.249672  0.583784  0.083045  1
  Si  Si6  1  0.249710  0.583689  0.417026  1
  Si  Si7  1  0.249690  0.583596  0.750222  1
  Si  Si8  1  0.249699  0.916642  0.084037  1
  Si  Si9  1  0.249695  0.916878  0.416950  1
  Si  Si10  1  0.249613  0.916666  0.750008  1
  Si  Si11  1  0.583100  0.250235  0.083553  1
  Si  Si12  1  0.583195  0.250211  0.416900  1
  Si  Si13  1  0.583093  0.250255  0.750167  1
  Si  Si14  1  0.583192  0.583560  0.083541  1
  Si  Si15  1  0.583139  0.583443  0.416758  1
  Si  Si16  1  0.583127  0.583492  0.750264  1
  Si  Si17  1  0.583096  0.916822  0.083592  1
  Si  Si18  1  0.583150  0.916959  0.416807  1
  Si  Si19  1  0.583123  0.916954  0.750271  1
  Si  Si20  1  0.913460  0.250144  0.083445  1
  Si  Si21  1  0.916652  0.250616  0.417025  1
  Si  Si22  1  0.916586  0.249653  0.749988  1
  Si  Si23  1  0.916650  0.583679  0.083964  1
  Si  Si24  1  0.916611  0.583476  0.416816  1
  Si  Si25  1  0.916638  0.583747  0.749928  1
  Si  Si26  1  0.916586  0.916650  0.082973  1
  Si  Si27  1  0.916648  0.916616  0.417070  1
  Si  Si28  1  0.916463  0.916901  0.750251  1
  Si  Si29  1  0.999308  0.000364  0.999673  1
  Si  Si30  1  0.000978  0.999538  0.334188  1
  Si  Si31  1  0.999735  0.000172  0.666666  1
  Si  Si32  1  0.995773  0.337574  0.996160  1
  Si  Si33  1  0.999388  0.333942  0.333344  1
  Si  Si34  1  0.999956  0.333377  0.667122  1
  Si  Si35  1  0.999943  0.666673  0.000314  1
  Si  Si36  1  0.999847  0.667021  0.333503  1
  Si  Si37  1  0.000027  0.666968  0.666702  1
  Si  Si38  1  0.333770  0.999567  0.001356  1
  Si  Si39  1  0.333131  0.000204  0.333651  1
  Si  Si40  1  0.332961  0.000365  0.666950  1
  Si  Si41  1  0.332973  0.334021  0.999674  1
  Si  Si42  1  0.333799  0.332356  0.334195  1
  Si  Si43  1  0.333163  0.333600  0.666668  1
  Si  Si44  1  0.333167  0.667141  0.000240  1
  Si  Si45  1  0.333005  0.666774  0.333329  1
  Si  Si46  1  0.332966  0.666852  0.666894  1
  Si  Si47  1  0.666191  0.000164  0.000237  1
  Si  Si48  1  0.666555  0.000329  0.333321  1
  Si  Si49  1  0.666484  0.000371  0.666897  1
  Si  Si50  1  0.666661  0.333392  0.000324  1
  Si  Si51  1  0.666317  0.333488  0.333505  1
  Si  Si52  1  0.666371  0.333289  0.666712  1
  Si  Si53  1  0.666403  0.666929  0.000367  1
  Si  Si54  1  0.666576  0.666758  0.333321  1
  Si  Si55  1  0.666501  0.666834  0.666865  1
  Si  Si56  1  0.250052  0.083280  0.250497  1
  Si  Si57  1  0.249688  0.083645  0.583797  1
  Si  Si58  1  0.252210  0.081122  0.914466  1
  Si  Si59  1  0.252260  0.419229  0.252576  1
  Si  Si60  1  0.249687  0.416817  0.583287  1
  Si  Si61  1  0.250045  0.417165  0.916619  1
  Si  Si62  1  0.249681  0.749949  0.250148  1
  Si  Si63  1  0.249722  0.750184  0.583536  1
  Si  Si64  1  0.249692  0.750460  0.916975  1
  Si  Si65  1  0.583375  0.083652  0.250148  1
  Si  Si66  1  0.583144  0.083605  0.583539  1
  Si  Si67  1  0.582867  0.083640  0.916976  1
  Si  Si68  1  0.582915  0.416708  0.250048  1
  Si  Si69  1  0.583157  0.416847  0.583527  1
  Si  Si70  1  0.583381  0.416829  0.916970  1
  Si  Si71  1  0.583168  0.750175  0.250184  1
  Si  Si72  1  0.583085  0.750250  0.583506  1
  Si  Si73  1  0.583134  0.750202  0.916932  1
  Si  Si74  1  0.914103  0.081075  0.252568  1
  Si  Si75  1  0.916525  0.083650  0.583285  1
  Si  Si76  1  0.916161  0.083288  0.916621  1
  Si  Si77  1  0.916335  0.416993  0.250348  1
  Si  Si78  1  0.916611  0.416714  0.583767  1
  Si  Si79  1  0.914091  0.419252  0.914383  1
  Si  Si80  1  0.916633  0.750429  0.250045  1
  Si  Si81  1  0.916470  0.750180  0.583512  1
  Si  Si82  1  0.916501  0.749946  0.916967  1
  Si  Si83  1  0.995791  0.162843  0.170909  1
  Si  Si84  1  0.999959  0.166985  0.500006  1
  Si  Si85  1  0.999299  0.166344  0.833694  1
  Si  Si86  1  0.999377  0.499980  0.167284  1
  Si  Si87  1  0.999845  0.500162  0.500366  1
  Si  Si88  1  0.000970  0.500869  0.832855  1
  Si  Si89  1  0.999959  0.833795  0.166710  1
  Si  Si90  1  0.000027  0.833370  0.500294  1
  Si  Si91  1  0.999738  0.833317  0.833509  1
  Si  Si92  1  0.332984  0.166332  0.167362  1
  Si  Si93  1  0.333176  0.166904  0.500483  1
  Si  Si94  1  0.333770  0.168021  0.832914  1
  Si  Si95  1  0.333787  0.500850  0.165682  1
  Si  Si96  1  0.333012  0.499999  0.500117  1
  Si  Si97  1  0.333128  0.500302  0.833546  1
  Si  Si98  1  0.333176  0.833317  0.166936  1
  Si  Si99  1  0.332971  0.833548  0.500208  1
  Si  Si100  1  0.332966  0.833607  0.833698  1
  Si  Si101  1  0.666654  0.167000  0.166712  1
  Si  Si102  1  0.666408  0.167030  0.500257  1
  Si  Si103  1  0.666196  0.166900  0.833499  1
  Si  Si104  1  0.666312  0.500172  0.166829  1
  Si  Si105  1  0.666550  0.499990  0.500094  1
  Si  Si106  1  0.666540  0.500010  0.833634  1
  Si  Si107  1  0.666374  0.833372  0.166625  1
  Si  Si108  1  0.666552  0.833585  0.500111  1
  Si  Si109  1  0.666475  0.833571  0.833692  1
  Si  Si110  1  0.083219  0.250107  0.253256  1
  Si  Si111  1  0.083105  0.250227  0.583551  1
  Si  Si112  1  0.083156  0.250182  0.913836  1
  Si  Si113  1  0.082699  0.583673  0.250015  1
  Si  Si114  1  0.083129  0.583556  0.583486  1
  Si  Si115  1  0.083612  0.583790  0.916970  1
  Si  Si116  1  0.083692  0.916654  0.250080  1
  Si  Si117  1  0.083065  0.916829  0.583574  1
  Si  Si118  1  0.082634  0.916644  0.916989  1
  Si  Si119  1  0.416685  0.249643  0.250086  1
  Si  Si120  1  0.416503  0.250267  0.583576  1
  Si  Si121  1  0.416693  0.250697  0.916986  1
  Si  Si122  1  0.416710  0.583737  0.250003  1
  Si  Si123  1  0.416384  0.583490  0.583523  1
  Si  Si124  1  0.416443  0.583601  0.916990  1
  Si  Si125  1  0.416437  0.916898  0.250225  1
  Si  Si126  1  0.416393  0.916934  0.583570  1
  Si  Si127  1  0.416660  0.916673  0.917045  1
  Si  Si128  1  0.749660  0.250638  0.250011  1
  Si  Si129  1  0.749776  0.250190  0.583492  1
  Si  Si130  1  0.749547  0.249718  0.916984  1
  Si  Si131  1  0.749878  0.583471  0.250070  1
  Si  Si132  1  0.749857  0.583466  0.583492  1
  Si  Si133  1  0.749629  0.583703  0.916941  1
  Si  Si134  1  0.749591  0.916616  0.250000  1
  Si  Si135  1  0.749855  0.916960  0.583529  1
  Si  Si136  1  0.749734  0.916887  0.916985  1
  Si  Si137  1  0.167004  0.000352  0.167362  1
  Si  Si138  1  0.166430  0.000155  0.500480  1
  Si  Si139  1  0.165315  0.999560  0.832910  1
  Si  Si140  1  0.170477  0.337546  0.170913  1
  Si  Si141  1  0.166349  0.333378  0.500009  1
  Si  Si142  1  0.166989  0.334031  0.833690  1
  Si  Si143  1  0.166331  0.666673  0.166709  1
  Si  Si144  1  0.166297  0.666917  0.500259  1
  Si  Si145  1  0.166431  0.667139  0.833489  1
  Si  Si146  1  0.500018  0.000156  0.166936  1
  Si  Si147  1  0.499780  0.000354  0.500209  1
  Si  Si148  1  0.499727  0.000367  0.833698  1
  Si  Si149  1  0.499542  0.333382  0.166715  1
  Si  Si150  1  0.499965  0.333308  0.500300  1
  Si  Si151  1  0.500018  0.333592  0.833509  1
  Si  Si152  1  0.499964  0.666959  0.166637  1
  Si  Si153  1  0.499758  0.666789  0.500115  1
  Si  Si154  1  0.499760  0.666863  0.833690  1
  Si  Si155  1  0.832476  0.999544  0.165681  1
  Si  Si156  1  0.833338  0.000327  0.500113  1
  Si  Si157  1  0.833032  0.000203  0.833543  1
  Si  Si158  1  0.833359  0.333950  0.167280  1
  Si  Si159  1  0.833171  0.333477  0.500375  1
  Si  Si160  1  0.832466  0.332363  0.832866  1
  Si  Si161  1  0.833176  0.667035  0.166820  1
  Si  Si162  1  0.833332  0.666780  0.500090  1
  Si  Si163  1  0.833319  0.666792  0.833630  1
  Si  Si164  1  0.083172  0.080504  0.083519  1
  Si  Si165  1  0.083623  0.083640  0.417122  1
  Si  Si166  1  0.082638  0.083648  0.749991  1
  Si  Si167  1  0.083199  0.419891  0.083453  1
  Si  Si168  1  0.082713  0.416681  0.417024  1
  Si  Si169  1  0.083682  0.416746  0.749987  1
  Si  Si170  1  0.083096  0.750231  0.083545  1
  Si  Si171  1  0.083126  0.750141  0.416895  1
  Si  Si172  1  0.083067  0.750237  0.750163  1
  Si  Si173  1  0.416695  0.083632  0.084039  1
  Si  Si174  1  0.416454  0.083644  0.416951  1
  Si  Si175  1  0.416656  0.083714  0.750016  1
  Si  Si176  1  0.416684  0.416748  0.082974  1
  Si  Si177  1  0.416721  0.416680  0.417075  1
  Si  Si178  1  0.416433  0.416869  0.750256  1
  Si  Si179  1  0.416508  0.750229  0.083598  1
  Si  Si180  1  0.416376  0.750182  0.416819  1
  Si  Si181  1  0.416380  0.750221  0.750260  1
  Si  Si182  1  0.749546  0.083662  0.083043  1
  Si  Si183  1  0.749640  0.083620  0.417025  1
  Si  Si184  1  0.749740  0.083647  0.750222  1
  Si  Si185  1  0.749657  0.416684  0.083972  1
  Si  Si186  1  0.749860  0.416721  0.416823  1
  Si  Si187  1  0.749587  0.416690  0.749934  1
  Si  Si188  1  0.749774  0.750145  0.083534  1
  Si  Si189  1  0.749892  0.750193  0.416751  1
  Si  Si190  1  0.749844  0.750213  0.750258  1
  Si  Si191  1  0.170478  0.162865  0.996185  1
  Si  Si192  1  0.167002  0.166333  0.333473  1
  Si  Si193  1  0.166299  0.167035  0.667099  1
  Si  Si194  1  0.166971  0.500121  0.999675  1
  Si  Si195  1  0.165388  0.500798  0.334135  1
  Si  Si196  1  0.166483  0.500278  0.666637  1
  Si  Si197  1  0.166309  0.833758  0.000371  1
  Si  Si198  1  0.166482  0.833297  0.333621  1
  Si  Si199  1  0.166239  0.833428  0.666761  1
  Si  Si200  1  0.499572  0.167027  0.000373  1
  Si  Si201  1  0.500041  0.166853  0.333629  1
  Si  Si202  1  0.499897  0.167090  0.666767  1
  Si  Si203  1  0.500041  0.500283  0.000188  1
  Si  Si204  1  0.499763  0.499978  0.333304  1
  Si  Si205  1  0.499778  0.500056  0.666879  1
  Si  Si206  1  0.499897  0.833430  0.000421  1
  Si  Si207  1  0.499799  0.833534  0.333408  1
  Si  Si208  1  0.499739  0.833604  0.666935  1
  Si  Si209  1  0.833221  0.166368  0.999686  1
  Si  Si210  1  0.832534  0.167943  0.334130  1
  Si  Si211  1  0.833063  0.166847  0.666637  1
  Si  Si212  1  0.832528  0.500805  0.001271  1
  Si  Si213  1  0.833237  0.500093  0.333452  1
  Si  Si214  1  0.833328  0.500003  0.666874  1
  Si  Si215  1  0.833053  0.833296  0.000184  1
  Si  Si216  1  0.833353  0.833568  0.333303  1
  Si  Si217  1  0.833279  0.833558  0.666873  1