# 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  0.254402  0.250035  0.083356  1
  Si  Si2  1  0.250267  0.250194  0.417487  1
  Si  Si3  1  0.250402  0.249798  0.749149  1
  Si  Si4  1  0.250388  0.584096  0.083524  1
  Si  Si5  1  0.250562  0.584223  0.417487  1
  Si  Si6  1  0.250224  0.583553  0.749762  1
  Si  Si7  1  0.250358  0.915882  0.083121  1
  Si  Si8  1  0.250222  0.916408  0.416858  1
  Si  Si9  1  0.250466  0.915786  0.749096  1
  Si  Si10  1  0.583290  0.250096  0.083402  1
  Si  Si11  1  0.583480  0.249982  0.416801  1
  Si  Si12  1  0.583340  0.249879  0.749776  1
  Si  Si13  1  0.583497  0.583607  0.083316  1
  Si  Si14  1  0.583397  0.583410  0.416917  1
  Si  Si15  1  0.583257  0.583545  0.749690  1
  Si  Si16  1  0.583375  0.916340  0.083291  1
  Si  Si17  1  0.583248  0.916586  0.416731  1
  Si  Si18  1  0.583324  0.916512  0.749812  1
  Si  Si19  1  0.912352  0.250053  0.083292  1
  Si  Si20  1  0.916359  0.249768  0.417497  1
  Si  Si21  1  0.916264  0.250216  0.749234  1
  Si  Si22  1  0.916306  0.584106  0.083069  1
  Si  Si23  1  0.916603  0.583644  0.416946  1
  Si  Si24  1  0.916155  0.584259  0.749037  1
  Si  Si25  1  0.916407  0.915898  0.083557  1
  Si  Si26  1  0.916145  0.915741  0.417520  1
  Si  Si27  1  0.916628  0.916401  0.749758  1
  Si  Si28  1  0.998765  0.998495  0.998679  1
  Si  Si29  1  0.000474  0.998293  0.334987  1
  Si  Si30  1  0.999840  0.999634  0.666404  1
  Si  Si31  1  0.994900  0.338472  0.994807  1
  Si  Si32  1  0.998718  0.334665  0.334901  1
  Si  Si33  1  0.999841  0.333471  0.666358  1
  Si  Si34  1  0.999914  0.666979  0.999848  1
  Si  Si35  1  0.999807  0.666924  0.333607  1
  Si  Si36  1  0.000032  0.667055  0.666204  1
  Si  Si37  1  0.334973  0.998348  0.000509  1
  Si  Si38  1  0.334029  0.999399  0.333902  1
  Si  Si39  1  0.333471  0.999883  0.666417  1
  Si  Si40  1  0.334951  0.334723  0.998719  1
  Si  Si41  1  0.334926  0.332826  0.335040  1
  Si  Si42  1  0.333760  0.333540  0.666386  1
  Si  Si43  1  0.333738  0.666859  0.999762  1
  Si  Si44  1  0.333620  0.666978  0.333515  1
  Si  Si45  1  0.333464  0.666801  0.666515  1
  Si  Si46  1  0.666486  0.999611  0.999814  1
  Si  Si47  1  0.666432  0.999872  0.333440  1
  Si  Si48  1  0.666541  0.999879  0.666662  1
  Si  Si49  1  0.666288  0.333473  0.999979  1
  Si  Si50  1  0.666564  0.333589  0.333655  1
  Si  Si51  1  0.666231  0.333272  0.666289  1
  Si  Si52  1  0.666365  0.667108  0.999929  1
  Si  Si53  1  0.666583  0.666725  0.333634  1
  Si  Si54  1  0.666538  0.666869  0.666510  1
  Si  Si55  1  0.250673  0.082635  0.250731  1
  Si  Si56  1  0.250140  0.083149  0.583270  1
  Si  Si57  1  0.255110  0.078307  0.911561  1
  Si  Si58  1  0.255063  0.421746  0.255085  1
  Si  Si59  1  0.250273  0.416847  0.583353  1
  Si  Si60  1  0.250755  0.417340  0.915995  1
  Si  Si61  1  0.250292  0.749998  0.250083  1
  Si  Si62  1  0.250275  0.750028  0.583223  1
  Si  Si63  1  0.250200  0.749892  0.916500  1
  Si  Si64  1  0.583314  0.083126  0.250070  1
  Si  Si65  1  0.583451  0.083123  0.583298  1
  Si  Si66  1  0.583308  0.083056  0.916606  1
  Si  Si67  1  0.583467  0.416878  0.250212  1
  Si  Si68  1  0.583260  0.416760  0.583277  1
  Si  Si69  1  0.583385  0.416908  0.916452  1
  Si  Si70  1  0.583451  0.749902  0.250233  1
  Si  Si71  1  0.583223  0.750176  0.583268  1
  Si  Si72  1  0.583396  0.749976  0.916314  1
  Si  Si73  1  0.911664  0.078296  0.255025  1
  Si  Si74  1  0.916450  0.083104  0.583427  1
  Si  Si75  1  0.916054  0.082683  0.916041  1
  Si  Si76  1  0.916042  0.417348  0.250719  1
  Si  Si77  1  0.916453  0.416949  0.583364  1
  Si  Si78  1  0.911545  0.421758  0.911491  1
  Si  Si79  1  0.916443  0.749957  0.250152  1
  Si  Si80  1  0.916514  0.750021  0.583236  1
  Si  Si81  1  0.916563  0.750029  0.916392  1
  Si  Si82  1  0.994963  0.161631  0.171700  1
  Si  Si83  1  0.999896  0.166535  0.500425  1
  Si  Si84  1  0.998673  0.165348  0.831799  1
  Si  Si85  1  0.998656  0.501518  0.167982  1
  Si  Si86  1  0.999808  0.500369  0.500284  1
  Si  Si87  1  0.000470  0.501670  0.831569  1
  Si  Si88  1  0.999951  0.832891  0.166715  1
  Si  Si89  1  0.000070  0.832918  0.500255  1
  Si  Si90  1  0.999909  0.833056  0.832957  1
  Si  Si91  1  0.334854  0.165324  0.168063  1
  Si  Si92  1  0.333646  0.166424  0.500205  1
  Si  Si93  1  0.335060  0.167222  0.831667  1
  Si  Si94  1  0.335018  0.501685  0.166207  1
  Si  Si95  1  0.333572  0.500222  0.500254  1
  Si  Si96  1  0.334041  0.500563  0.832740  1
  Si  Si97  1  0.333744  0.833069  0.166803  1
  Si  Si98  1  0.333599  0.833282  0.500077  1
  Si  Si99  1  0.333468  0.833052  0.833149  1
  Si  Si100  1  0.666319  0.166623  0.166724  1
  Si  Si101  1  0.666378  0.166671  0.500352  1
  Si  Si102  1  0.666352  0.166380  0.833129  1
  Si  Si103  1  0.666517  0.500377  0.166942  1
  Si  Si104  1  0.666545  0.500066  0.500152  1
  Si  Si105  1  0.666387  0.500287  0.833067  1
  Si  Si106  1  0.666328  0.832898  0.166670  1
  Si  Si107  1  0.666564  0.833441  0.500072  1
  Si  Si108  1  0.666587  0.833271  0.833080  1
  Si  Si109  1  0.083347  0.249992  0.254351  1
  Si  Si110  1  0.083213  0.250080  0.583358  1
  Si  Si111  1  0.083383  0.250036  0.912254  1
  Si  Si112  1  0.083572  0.584127  0.250293  1
  Si  Si113  1  0.083455  0.583586  0.583301  1
  Si  Si114  1  0.083115  0.584062  0.916265  1
  Si  Si115  1  0.083111  0.915830  0.250338  1
  Si  Si116  1  0.083358  0.916360  0.583282  1
  Si  Si117  1  0.083612  0.915886  0.916296  1
  Si  Si118  1  0.417447  0.250260  0.250388  1
  Si  Si119  1  0.416943  0.249955  0.583242  1
  Si  Si120  1  0.417521  0.249801  0.916376  1
  Si  Si121  1  0.417605  0.584225  0.250485  1
  Si  Si122  1  0.416859  0.583511  0.583450  1
  Si  Si123  1  0.417020  0.583578  0.916510  1
  Si  Si124  1  0.416968  0.916372  0.250086  1
  Si  Si125  1  0.416834  0.916713  0.583202  1
  Si  Si126  1  0.417490  0.915742  0.916210  1
  Si  Si127  1  0.749279  0.249789  0.250317  1
  Si  Si128  1  0.749789  0.249974  0.583393  1
  Si  Si129  1  0.749132  0.250220  0.916381  1
  Si  Si130  1  0.749822  0.583592  0.250244  1
  Si  Si131  1  0.749729  0.583568  0.583224  1
  Si  Si132  1  0.749167  0.584282  0.916087  1
  Si  Si133  1  0.749141  0.915793  0.250459  1
  Si  Si134  1  0.749817  0.916582  0.583501  1
  Si  Si135  1  0.749811  0.916380  0.916527  1
  Si  Si136  1  0.168018  0.998465  0.168037  1
  Si  Si137  1  0.166928  0.999597  0.500211  1
  Si  Si138  1  0.166203  0.998371  0.831650  1
  Si  Si139  1  0.171765  0.338427  0.171773  1
  Si  Si140  1  0.166729  0.333438  0.500424  1
  Si  Si141  1  0.168086  0.334713  0.831768  1
  Si  Si142  1  0.166788  0.667019  0.166689  1
  Si  Si143  1  0.166736  0.667059  0.500302  1
  Si  Si144  1  0.166927  0.666828  0.833007  1
  Si  Si145  1  0.500272  0.999597  0.166809  1
  Si  Si146  1  0.500180  0.999935  0.500046  1
  Si  Si147  1  0.500198  0.999787  0.833180  1
  Si  Si148  1  0.500361  0.333486  0.166833  1
  Si  Si149  1  0.500408  0.333241  0.500255  1
  Si  Si150  1  0.500336  0.333500  0.833036  1
  Si  Si151  1  0.500475  0.667028  0.166646  1
  Si  Si152  1  0.500065  0.666706  0.500077  1
  Si  Si153  1  0.500086  0.666808  0.833037  1
  Si  Si154  1  0.831720  0.998340  0.166173  1
  Si  Si155  1  0.833132  0.999788  0.500285  1
  Si  Si156  1  0.832826  0.999367  0.832794  1
  Si  Si157  1  0.831861  0.334722  0.167999  1
  Si  Si158  1  0.833067  0.333521  0.500329  1
  Si  Si159  1  0.831573  0.332814  0.831663  1
  Si  Si160  1  0.832989  0.666884  0.166855  1
  Si  Si161  1  0.833152  0.666800  0.500105  1
  Si  Si162  1  0.833154  0.667013  0.833046  1
  Si  Si163  1  0.083422  0.079041  0.083328  1
  Si  Si164  1  0.083076  0.082899  0.417512  1
  Si  Si165  1  0.083572  0.083000  0.749179  1
  Si  Si166  1  0.083341  0.421025  0.083305  1
  Si  Si167  1  0.083575  0.417056  0.417498  1
  Si  Si168  1  0.083158  0.417048  0.749170  1
  Si  Si169  1  0.083342  0.749926  0.083232  1
  Si  Si170  1  0.083470  0.749995  0.416774  1
  Si  Si171  1  0.083424  0.749917  0.749727  1
  Si  Si172  1  0.417432  0.082978  0.083154  1
  Si  Si173  1  0.416980  0.083266  0.416863  1
  Si  Si174  1  0.417556  0.082874  0.749112  1
  Si  Si175  1  0.417553  0.417130  0.083576  1
  Si  Si176  1  0.417545  0.417134  0.417525  1
  Si  Si177  1  0.417015  0.416717  0.749773  1
  Si  Si178  1  0.417003  0.749962  0.083267  1
  Si  Si179  1  0.416945  0.750107  0.416830  1
  Si  Si180  1  0.416770  0.750007  0.749752  1
  Si  Si181  1  0.749239  0.082982  0.083556  1
  Si  Si182  1  0.749186  0.082850  0.417502  1
  Si  Si183  1  0.749743  0.083164  0.749920  1
  Si  Si184  1  0.749252  0.417075  0.083128  1
  Si  Si185  1  0.749854  0.416776  0.416991  1
  Si  Si186  1  0.749059  0.417167  0.749088  1
  Si  Si187  1  0.749844  0.750058  0.083277  1
  Si  Si188  1  0.749785  0.749994  0.416934  1
  Si  Si189  1  0.749863  0.750151  0.749708  1
  Si  Si190  1  0.171832  0.161629  0.994892  1
  Si  Si191  1  0.167943  0.165264  0.334901  1
  Si  Si192  1  0.166722  0.166642  0.666256  1
  Si  Si193  1  0.168039  0.501508  0.998628  1
  Si  Si194  1  0.166167  0.501690  0.334985  1
  Si  Si195  1  0.166975  0.500336  0.666400  1
  Si  Si196  1  0.166780  0.832951  0.999900  1
  Si  Si197  1  0.167007  0.833088  0.333570  1
  Si  Si198  1  0.166716  0.832895  0.666223  1
  Si  Si199  1  0.500370  0.166583  0.000008  1
  Si  Si200  1  0.500316  0.166476  0.333591  1
  Si  Si201  1  0.500419  0.166610  0.666201  1
  Si  Si202  1  0.500375  0.500389  0.999778  1
  Si  Si203  1  0.500284  0.500163  0.333520  1
  Si  Si204  1  0.500126  0.500087  0.666519  1
  Si  Si205  1  0.500458  0.832876  0.999890  1
  Si  Si206  1  0.500201  0.833197  0.333436  1
  Si  Si207  1  0.499941  0.833393  0.666545  1
  Si  Si208  1  0.831814  0.165351  0.998665  1
  Si  Si209  1  0.831745  0.167177  0.334975  1
  Si  Si210  1  0.832953  0.166384  0.666510  1
  Si  Si211  1  0.831667  0.501681  0.000415  1
  Si  Si212  1  0.832815  0.500600  0.334017  1
  Si  Si213  1  0.833032  0.500267  0.666382  1
  Si  Si214  1  0.833128  0.833103  0.999752  1
  Si  Si215  1  0.833091  0.833023  0.333512  1
  Si  Si216  1  0.833265  0.833273  0.666491  1
  Ge  Ge217  1  0.083363  0.250107  0.083231  1
