# generated using pymatgen
data_Si216Ge
_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   Si216Ge
_chemical_formula_sum   'Si216 Ge1'
_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  0.252827  0.251178  0.084455  1
  Si  Si2  1  0.250494  0.250200  0.416694  1
  Si  Si3  1  0.250574  0.249976  0.749495  1
  Si  Si4  1  0.250506  0.583442  0.083483  1
  Si  Si5  1  0.250309  0.584236  0.417519  1
  Si  Si6  1  0.250005  0.582954  0.749808  1
  Si  Si7  1  0.250564  0.916170  0.083248  1
  Si  Si8  1  0.249953  0.916569  0.416245  1
  Si  Si9  1  0.249755  0.916984  0.750250  1
  Si  Si10  1  0.583683  0.250004  0.083292  1
  Si  Si11  1  0.583806  0.249926  0.416390  1
  Si  Si12  1  0.583840  0.250032  0.749537  1
  Si  Si13  1  0.583837  0.583109  0.083197  1
  Si  Si14  1  0.583768  0.582937  0.416222  1
  Si  Si15  1  0.583518  0.583190  0.749602  1
  Si  Si16  1  0.583835  0.916239  0.083342  1
  Si  Si17  1  0.583491  0.916326  0.416408  1
  Si  Si18  1  0.583554  0.916805  0.750004  1
  Si  Si19  1  0.913067  0.250317  0.083564  1
  Si  Si20  1  0.916740  0.249665  0.416865  1
  Si  Si21  1  0.916756  0.250165  0.749412  1
  Si  Si22  1  0.916752  0.583511  0.082972  1
  Si  Si23  1  0.916763  0.582738  0.416076  1
  Si  Si24  1  0.916567  0.584436  0.748398  1
  Si  Si25  1  0.916762  0.916123  0.083482  1
  Si  Si26  1  0.916583  0.915105  0.417692  1
  Si  Si27  1  0.917002  0.916323  0.749661  1
  Si  Si28  1  0.999779  0.998876  0.999360  1
  Si  Si29  1  0.000409  0.997767  0.335349  1
  Si  Si30  1  0.000204  0.999609  0.666048  1
  Si  Si31  1  0.993903  0.339516  0.987806  1
  Si  Si32  1  0.999259  0.334062  0.333963  1
  Si  Si33  1  0.999978  0.333393  0.665894  1
  Si  Si34  1  0.000037  0.666613  0.999729  1
  Si  Si35  1  0.000101  0.666420  0.333156  1
  Si  Si36  1  0.000132  0.666864  0.665527  1
  Si  Si37  1  0.332972  0.000379  0.999826  1
  Si  Si38  1  0.333596  0.999736  0.333015  1
  Si  Si39  1  0.333233  0.000159  0.666609  1
  Si  Si40  1  0.334451  0.333615  0.999359  1
  Si  Si41  1  0.335609  0.332978  0.335356  1
  Si  Si42  1  0.333766  0.333146  0.666021  1
  Si  Si43  1  0.333637  0.666469  0.999989  1
  Si  Si44  1  0.333610  0.666654  0.333263  1
  Si  Si45  1  0.333371  0.666503  0.666479  1
  Si  Si46  1  0.666883  0.999809  0.000042  1
  Si  Si47  1  0.666727  0.999762  0.333256  1
  Si  Si48  1  0.666902  0.000032  0.666502  1
  Si  Si49  1  0.666731  0.333310  0.999720  1
  Si  Si50  1  0.666903  0.333273  0.333157  1
  Si  Si51  1  0.666483  0.333269  0.665571  1
  Si  Si52  1  0.666243  0.667129  0.999822  1
  Si  Si53  1  0.667206  0.666175  0.333009  1
  Si  Si54  1  0.667039  0.666396  0.666269  1
  Si  Si55  1  0.250739  0.082585  0.249176  1
  Si  Si56  1  0.250041  0.083354  0.582889  1
  Si  Si57  1  0.249351  0.084029  0.917322  1
  Si  Si58  1  0.257164  0.422805  0.256047  1
  Si  Si59  1  0.250203  0.416446  0.582941  1
  Si  Si60  1  0.250734  0.415914  0.915907  1
  Si  Si61  1  0.250177  0.749643  0.249744  1
  Si  Si62  1  0.249951  0.750307  0.583516  1
  Si  Si63  1  0.250094  0.749584  0.916568  1
  Si  Si64  1  0.583686  0.083160  0.249764  1
  Si  Si65  1  0.583118  0.083467  0.583515  1
  Si  Si66  1  0.583768  0.083340  0.916648  1
  Si  Si67  1  0.583903  0.416636  0.249906  1
  Si  Si68  1  0.583774  0.416755  0.582873  1
  Si  Si69  1  0.583715  0.416452  0.916456  1
  Si  Si70  1  0.583818  0.749571  0.250030  1
  Si  Si71  1  0.583521  0.749894  0.583101  1
  Si  Si72  1  0.583099  0.750273  0.916657  1
  Si  Si73  1  0.910578  0.076251  0.256069  1
  Si  Si74  1  0.916893  0.083161  0.582967  1
  Si  Si75  1  0.917455  0.082562  0.915897  1
  Si  Si76  1  0.917439  0.415862  0.249201  1
  Si  Si77  1  0.916730  0.416627  0.582759  1
  Si  Si78  1  0.910608  0.422795  0.909495  1
  Si  Si79  1  0.916748  0.749436  0.249903  1
  Si  Si80  1  0.916655  0.749561  0.582828  1
  Si  Si81  1  0.916897  0.749642  0.916481  1
  Si  Si82  1  0.993878  0.154487  0.172747  1
  Si  Si83  1  0.000025  0.166435  0.499964  1
  Si  Si84  1  0.999761  0.166061  0.832214  1
  Si  Si85  1  0.999254  0.500602  0.167380  1
  Si  Si86  1  0.000122  0.499835  0.499743  1
  Si  Si87  1  0.000419  0.502116  0.831034  1
  Si  Si88  1  0.999992  0.832570  0.166658  1
  Si  Si89  1  0.000143  0.832262  0.500150  1
  Si  Si90  1  0.000225  0.832708  0.832917  1
  Si  Si91  1  0.334440  0.166072  0.166891  1
  Si  Si92  1  0.333588  0.166728  0.499771  1
  Si  Si93  1  0.332984  0.166538  0.833691  1
  Si  Si94  1  0.335634  0.502116  0.166251  1
  Si  Si95  1  0.333608  0.499973  0.499932  1
  Si  Si96  1  0.333609  0.499722  0.833031  1
  Si  Si97  1  0.333731  0.832704  0.166420  1
  Si  Si98  1  0.333378  0.833307  0.499762  1
  Si  Si99  1  0.333278  0.833333  0.833355  1
  Si  Si100  1  0.666691  0.166438  0.166629  1
  Si  Si101  1  0.666277  0.166601  0.500383  1
  Si  Si102  1  0.666882  0.166730  0.833105  1
  Si  Si103  1  0.666926  0.499853  0.166549  1
  Si  Si104  1  0.667178  0.499732  0.499493  1
  Si  Si105  1  0.666716  0.499986  0.833057  1
  Si  Si106  1  0.666493  0.832254  0.166541  1
  Si  Si107  1  0.667050  0.833018  0.499611  1
  Si  Si108  1  0.666883  0.833289  0.833274  1
  Si  Si109  1  0.083054  0.250323  0.253591  1
  Si  Si110  1  0.083370  0.250000  0.582976  1
  Si  Si111  1  0.082206  0.251157  0.913826  1
  Si  Si112  1  0.083686  0.583494  0.249869  1
  Si  Si113  1  0.083464  0.583105  0.582813  1
  Si  Si114  1  0.083171  0.583443  0.916173  1
  Si  Si115  1  0.083186  0.916114  0.249875  1
  Si  Si116  1  0.083331  0.916266  0.582800  1
  Si  Si117  1  0.083392  0.916169  0.916092  1
  Si  Si118  1  0.417245  0.250172  0.249888  1
  Si  Si119  1  0.417151  0.250029  0.582816  1
  Si  Si120  1  0.417169  0.249980  0.916105  1
  Si  Si121  1  0.418274  0.584427  0.250104  1
  Si  Si122  1  0.417049  0.583174  0.583128  1
  Si  Si123  1  0.416855  0.582965  0.916607  1
  Si  Si124  1  0.416976  0.916325  0.249646  1
  Si  Si125  1  0.416649  0.916811  0.583087  1
  Si  Si126  1  0.416414  0.916959  0.916884  1
  Si  Si127  1  0.749812  0.249659  0.249887  1
  Si  Si128  1  0.750245  0.249927  0.582865  1
  Si  Si129  1  0.749961  0.250213  0.916182  1
  Si  Si130  1  0.750573  0.582759  0.249917  1
  Si  Si131  1  0.750465  0.582945  0.582896  1
  Si  Si132  1  0.749131  0.584234  0.916362  1
  Si  Si133  1  0.748955  0.915107  0.250094  1
  Si  Si134  1  0.750253  0.916333  0.583173  1
  Si  Si135  1  0.750386  0.916558  0.916708  1
  Si  Si136  1  0.167299  0.998880  0.166864  1
  Si  Si137  1  0.166639  0.999826  0.499766  1
  Si  Si138  1  0.166822  0.000393  0.833709  1
  Si  Si139  1  0.178833  0.339510  0.172770  1
  Si  Si140  1  0.166950  0.333304  0.499930  1
  Si  Si141  1  0.167296  0.333602  0.832194  1
  Si  Si142  1  0.166942  0.666604  0.166608  1
  Si  Si143  1  0.166818  0.667127  0.500382  1
  Si  Si144  1  0.166663  0.666474  0.833043  1
  Si  Si145  1  0.500604  0.999598  0.166468  1
  Si  Si146  1  0.500143  0.000030  0.499730  1
  Si  Si147  1  0.500055  0.000155  0.833435  1
  Si  Si148  1  0.500769  0.333410  0.166666  1
  Si  Si149  1  0.501100  0.333268  0.500154  1
  Si  Si150  1  0.500624  0.333154  0.832906  1
  Si  Si151  1  0.501139  0.666867  0.166546  1
  Si  Si152  1  0.500365  0.666388  0.499605  1
  Si  Si153  1  0.500097  0.666541  0.833185  1
  Si  Si154  1  0.831284  0.997756  0.166263  1
  Si  Si155  1  0.833415  0.999750  0.499925  1
  Si  Si156  1  0.833614  0.999719  0.833043  1
  Si  Si157  1  0.832703  0.334057  0.167363  1
  Si  Si158  1  0.833470  0.333287  0.499759  1
  Si  Si159  1  0.831292  0.332975  0.831042  1
  Si  Si160  1  0.833468  0.666435  0.166563  1
  Si  Si161  1  0.833685  0.666161  0.499435  1
  Si  Si162  1  0.833379  0.666652  0.833051  1
  Si  Si163  1  0.082194  0.080507  0.084450  1
  Si  Si164  1  0.083127  0.082908  0.416709  1
  Si  Si165  1  0.083372  0.082787  0.749506  1
  Si  Si166  1  0.083051  0.420293  0.083600  1
  Si  Si167  1  0.083713  0.416560  0.416806  1
  Si  Si168  1  0.083198  0.416620  0.749407  1
  Si  Si169  1  0.083379  0.749640  0.083277  1
  Si  Si170  1  0.083448  0.749534  0.416379  1
  Si  Si171  1  0.083350  0.749543  0.749493  1
  Si  Si172  1  0.417153  0.082782  0.083291  1
  Si  Si173  1  0.416801  0.083381  0.416223  1
  Si  Si174  1  0.416412  0.083615  0.750255  1
  Si  Si175  1  0.417253  0.416636  0.083448  1
  Si  Si176  1  0.418243  0.416825  0.417688  1
  Si  Si177  1  0.417022  0.416371  0.749635  1
  Si  Si178  1  0.417180  0.749534  0.083316  1
  Si  Si179  1  0.417023  0.749930  0.416421  1
  Si  Si180  1  0.416670  0.749908  0.749850  1
  Si  Si181  1  0.749938  0.082905  0.083536  1
  Si  Si182  1  0.749133  0.083056  0.417536  1
  Si  Si183  1  0.750398  0.083385  0.749861  1
  Si  Si184  1  0.749842  0.416576  0.082946  1
  Si  Si185  1  0.750536  0.416618  0.416099  1
  Si  Si186  1  0.748955  0.416823  0.748418  1
  Si  Si187  1  0.750250  0.749546  0.083201  1
  Si  Si188  1  0.750482  0.749615  0.416191  1
  Si  Si189  1  0.750228  0.749925  0.749616  1
  Si  Si190  1  0.164607  0.168758  0.002063  1
  Si  Si191  1  0.168293  0.165072  0.333682  1
  Si  Si192  1  0.166712  0.166644  0.666342  1
  Si  Si193  1  0.168280  0.500426  0.998385  1
  Si  Si194  1  0.166615  0.501694  0.334986  1
  Si  Si195  1  0.166605  0.499869  0.666102  1
  Si  Si196  1  0.166749  0.832983  0.999899  1
  Si  Si197  1  0.166587  0.832848  0.333151  1
  Si  Si198  1  0.166575  0.833506  0.666727  1
  Si  Si199  1  0.500323  0.166640  0.999962  1
  Si  Si200  1  0.500515  0.166775  0.333166  1
  Si  Si201  1  0.499912  0.166806  0.666763  1
  Si  Si202  1  0.500554  0.499889  0.000032  1
  Si  Si203  1  0.500671  0.500015  0.333303  1
  Si  Si204  1  0.500328  0.499855  0.666335  1
  Si  Si205  1  0.499936  0.833484  0.000069  1
  Si  Si206  1  0.500328  0.833038  0.333077  1
  Si  Si207  1  0.500183  0.833343  0.666447  1
  Si  Si208  1  0.832962  0.165051  0.998355  1
  Si  Si209  1  0.831646  0.166766  0.335010  1
  Si  Si210  1  0.833477  0.166766  0.666146  1
  Si  Si211  1  0.831670  0.501696  0.000043  1
  Si  Si212  1  0.833895  0.499426  0.332759  1
  Si  Si213  1  0.833368  0.500019  0.666010  1
  Si  Si214  1  0.833492  0.832855  0.000075  1
  Si  Si215  1  0.833380  0.832706  0.333280  1
  Si  Si216  1  0.833595  0.833018  0.666309  1
  Ge  Ge217  1  0.062562  0.270758  0.104105  1
