# 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  0.254313  0.249971  0.083331  1
  Si  Si2  1  0.250372  0.250257  0.417430  1
  Si  Si3  1  0.250278  0.249802  0.749237  1
  Si  Si4  1  0.250298  0.584230  0.083600  1
  Si  Si5  1  0.250517  0.584233  0.417602  1
  Si  Si6  1  0.250097  0.583698  0.749695  1
  Si  Si7  1  0.250306  0.915897  0.083158  1
  Si  Si8  1  0.250175  0.916501  0.416987  1
  Si  Si9  1  0.250416  0.915826  0.749147  1
  Si  Si10  1  0.583381  0.250020  0.083258  1
  Si  Si11  1  0.583357  0.250071  0.416927  1
  Si  Si12  1  0.583243  0.250107  0.749750  1
  Si  Si13  1  0.583202  0.583565  0.083340  1
  Si  Si14  1  0.583474  0.583535  0.416802  1
  Si  Si15  1  0.583141  0.583458  0.749973  1
  Si  Si16  1  0.583319  0.916429  0.083399  1
  Si  Si17  1  0.583202  0.916464  0.416971  1
  Si  Si18  1  0.583445  0.916603  0.749950  1
  Si  Si19  1  0.912280  0.250053  0.083329  1
  Si  Si20  1  0.916294  0.249751  0.417429  1
  Si  Si21  1  0.916331  0.250272  0.749124  1
  Si  Si22  1  0.916376  0.584108  0.083056  1
  Si  Si23  1  0.916535  0.583653  0.416928  1
  Si  Si24  1  0.916108  0.584229  0.749056  1
  Si  Si25  1  0.916207  0.915812  0.083593  1
  Si  Si26  1  0.916109  0.915767  0.417561  1
  Si  Si27  1  0.916407  0.916477  0.749790  1
  Si  Si28  1  0.998532  0.998455  0.998691  1
  Si  Si29  1  0.000458  0.998350  0.335056  1
  Si  Si30  1  0.999684  0.999658  0.666407  1
  Si  Si31  1  0.994902  0.338436  0.994877  1
  Si  Si32  1  0.998657  0.334653  0.334830  1
  Si  Si33  1  0.999901  0.333515  0.666230  1
  Si  Si34  1  0.999972  0.667081  0.999925  1
  Si  Si35  1  0.999765  0.666968  0.333679  1
  Si  Si36  1  0.999893  0.667105  0.666209  1
  Si  Si37  1  0.334961  0.998337  0.000542  1
  Si  Si38  1  0.334009  0.999398  0.333981  1
  Si  Si39  1  0.333458  0.999915  0.666503  1
  Si  Si40  1  0.334821  0.334680  0.998664  1
  Si  Si41  1  0.334993  0.332882  0.334945  1
  Si  Si42  1  0.333557  0.333569  0.666390  1
  Si  Si43  1  0.333552  0.667006  0.999761  1
  Si  Si44  1  0.333553  0.666982  0.333623  1
  Si  Si45  1  0.333544  0.666864  0.666525  1
  Si  Si46  1  0.666405  0.999659  0.999827  1
  Si  Si47  1  0.666318  0.999730  0.333588  1
  Si  Si48  1  0.666527  0.999905  0.666612  1
  Si  Si49  1  0.666273  0.333455  0.999843  1
  Si  Si50  1  0.666415  0.333600  0.333637  1
  Si  Si51  1  0.666205  0.333350  0.666170  1
  Si  Si52  1  0.666171  0.666984  0.999982  1
  Si  Si53  1  0.666624  0.666734  0.333436  1
  Si  Si54  1  0.666513  0.666682  0.666772  1
  Si  Si55  1  0.250707  0.082639  0.250698  1
  Si  Si56  1  0.250190  0.083289  0.583387  1
  Si  Si57  1  0.254972  0.078238  0.911649  1
  Si  Si58  1  0.255017  0.421767  0.255034  1
  Si  Si59  1  0.250142  0.416943  0.583338  1
  Si  Si60  1  0.250641  0.417377  0.915996  1
  Si  Si61  1  0.250207  0.750098  0.250301  1
  Si  Si62  1  0.250256  0.750112  0.583340  1
  Si  Si63  1  0.250114  0.750072  0.916396  1
  Si  Si64  1  0.583300  0.083181  0.250266  1
  Si  Si65  1  0.583280  0.083216  0.583464  1
  Si  Si66  1  0.583410  0.083175  0.916496  1
  Si  Si67  1  0.583337  0.416885  0.250159  1
  Si  Si68  1  0.583278  0.416964  0.583307  1
  Si  Si69  1  0.583146  0.416853  0.916491  1
  Si  Si70  1  0.583360  0.749967  0.250239  1
  Si  Si71  1  0.583351  0.750040  0.583498  1
  Si  Si72  1  0.583192  0.749990  0.916536  1
  Si  Si73  1  0.911547  0.078245  0.255094  1
  Si  Si74  1  0.916419  0.083147  0.583319  1
  Si  Si75  1  0.915918  0.082703  0.916014  1
  Si  Si76  1  0.916021  0.417379  0.250665  1
  Si  Si77  1  0.916423  0.416901  0.583225  1
  Si  Si78  1  0.911607  0.421732  0.911527  1
  Si  Si79  1  0.916430  0.749934  0.250146  1
  Si  Si80  1  0.916349  0.750107  0.583362  1
  Si  Si81  1  0.916416  0.749949  0.916490  1
  Si  Si82  1  0.994825  0.161583  0.171759  1
  Si  Si83  1  0.999909  0.166609  0.500371  1
  Si  Si84  1  0.998599  0.165331  0.831788  1
  Si  Si85  1  0.998705  0.501558  0.168009  1
  Si  Si86  1  0.999776  0.500364  0.500199  1
  Si  Si87  1  0.000473  0.501734  0.831614  1
  Si  Si88  1  0.999881  0.832984  0.166778  1
  Si  Si89  1  0.999956  0.832977  0.500395  1
  Si  Si90  1  0.999632  0.833086  0.832986  1
  Si  Si91  1  0.334877  0.165310  0.168001  1
  Si  Si92  1  0.333672  0.166502  0.500246  1
  Si  Si93  1  0.334886  0.167172  0.831727  1
  Si  Si94  1  0.334960  0.501733  0.166176  1
  Si  Si95  1  0.333578  0.500238  0.500296  1
  Si  Si96  1  0.333850  0.500673  0.832680  1
  Si  Si97  1  0.333654  0.833116  0.166936  1
  Si  Si98  1  0.333586  0.833330  0.500161  1
  Si  Si99  1  0.333533  0.833127  0.833107  1
  Si  Si100  1  0.666268  0.166598  0.166763  1
  Si  Si101  1  0.666237  0.166639  0.500395  1
  Si  Si102  1  0.666360  0.166518  0.832946  1
  Si  Si103  1  0.666370  0.500325  0.166819  1
  Si  Si104  1  0.666549  0.500199  0.500099  1
  Si  Si105  1  0.666330  0.500093  0.833158  1
  Si  Si106  1  0.666272  0.832890  0.166669  1
  Si  Si107  1  0.666616  0.833209  0.500103  1
  Si  Si108  1  0.666438  0.833209  0.833288  1
  Si  Si109  1  0.083337  0.249967  0.254312  1
  Si  Si110  1  0.083306  0.250128  0.583263  1
  Si  Si111  1  0.083306  0.249993  0.912303  1
  Si  Si112  1  0.083574  0.584210  0.250366  1
  Si  Si113  1  0.083295  0.583648  0.583282  1
  Si  Si114  1  0.083106  0.584188  0.916262  1
  Si  Si115  1  0.083056  0.915863  0.250429  1
  Si  Si116  1  0.083298  0.916464  0.583332  1
  Si  Si117  1  0.083413  0.915872  0.916308  1
  Si  Si118  1  0.417481  0.250265  0.250300  1
  Si  Si119  1  0.416882  0.250093  0.583315  1
  Si  Si120  1  0.417410  0.249762  0.916336  1
  Si  Si121  1  0.417518  0.584246  0.250552  1
  Si  Si122  1  0.416898  0.583543  0.583438  1
  Si  Si123  1  0.416766  0.583650  0.916531  1
  Si  Si124  1  0.416972  0.916405  0.250169  1
  Si  Si125  1  0.416829  0.916693  0.583349  1
  Si  Si126  1  0.417517  0.915796  0.916235  1
  Si  Si127  1  0.749196  0.249770  0.250369  1
  Si  Si128  1  0.749747  0.250042  0.583225  1
  Si  Si129  1  0.749174  0.250265  0.916250  1
  Si  Si130  1  0.749764  0.583538  0.250016  1
  Si  Si131  1  0.749732  0.583547  0.583315  1
  Si  Si132  1  0.749047  0.584109  0.916205  1
  Si  Si133  1  0.749052  0.915733  0.250536  1
  Si  Si134  1  0.749736  0.916473  0.583498  1
  Si  Si135  1  0.749700  0.916414  0.916587  1
  Si  Si136  1  0.167949  0.998469  0.168080  1
  Si  Si137  1  0.166922  0.999737  0.500325  1
  Si  Si138  1  0.166060  0.998329  0.831680  1
  Si  Si139  1  0.171732  0.338416  0.171723  1
  Si  Si140  1  0.166766  0.333480  0.500308  1
  Si  Si141  1  0.167946  0.334732  0.831799  1
  Si  Si142  1  0.166744  0.667170  0.166805  1
  Si  Si143  1  0.166720  0.667115  0.500413  1
  Si  Si144  1  0.166815  0.667011  0.832909  1
  Si  Si145  1  0.500264  0.999702  0.166944  1
  Si  Si146  1  0.500128  0.999930  0.500194  1
  Si  Si147  1  0.500223  0.999866  0.833234  1
  Si  Si148  1  0.500390  0.333429  0.166694  1
  Si  Si149  1  0.500365  0.333406  0.500359  1
  Si  Si150  1  0.500097  0.333595  0.832988  1
  Si  Si151  1  0.500332  0.667065  0.166726  1
  Si  Si152  1  0.500176  0.666738  0.500115  1
  Si  Si153  1  0.500004  0.666824  0.833207  1
  Si  Si154  1  0.831596  0.998295  0.166219  1
  Si  Si155  1  0.833057  0.999742  0.500315  1
  Si  Si156  1  0.832610  0.999450  0.832754  1
  Si  Si157  1  0.831773  0.334717  0.168032  1
  Si  Si158  1  0.832996  0.333588  0.500158  1
  Si  Si159  1  0.831647  0.332838  0.831583  1
  Si  Si160  1  0.832999  0.666862  0.166800  1
  Si  Si161  1  0.833136  0.666783  0.500176  1
  Si  Si162  1  0.833066  0.666836  0.833183  1
  Si  Si163  1  0.083244  0.078966  0.083376  1
  Si  Si164  1  0.083119  0.082989  0.417500  1
  Si  Si165  1  0.083486  0.082974  0.749173  1
  Si  Si166  1  0.083334  0.421028  0.083295  1
  Si  Si167  1  0.083544  0.417037  0.417407  1
  Si  Si168  1  0.083083  0.417100  0.749158  1
  Si  Si169  1  0.083358  0.750131  0.083338  1
  Si  Si170  1  0.083337  0.750034  0.416947  1
  Si  Si171  1  0.083193  0.750068  0.749714  1
  Si  Si172  1  0.417486  0.082967  0.083105  1
  Si  Si173  1  0.416952  0.083276  0.416938  1
  Si  Si174  1  0.417510  0.082910  0.749214  1
  Si  Si175  1  0.417405  0.417034  0.083573  1
  Si  Si176  1  0.417542  0.417195  0.417521  1
  Si  Si177  1  0.416762  0.416819  0.749719  1
  Si  Si178  1  0.416842  0.749999  0.083379  1
  Si  Si179  1  0.416905  0.750090  0.416937  1
  Si  Si180  1  0.416873  0.750033  0.749789  1
  Si  Si181  1  0.749177  0.082980  0.083602  1
  Si  Si182  1  0.749048  0.082761  0.417581  1
  Si  Si183  1  0.749737  0.083326  0.749724  1
  Si  Si184  1  0.749186  0.417022  0.083079  1
  Si  Si185  1  0.749752  0.416863  0.416858  1
  Si  Si186  1  0.749044  0.417118  0.749052  1
  Si  Si187  1  0.749695  0.749918  0.083286  1
  Si  Si188  1  0.749829  0.749860  0.416846  1
  Si  Si189  1  0.749710  0.750034  0.749987  1
  Si  Si190  1  0.171675  0.161557  0.994948  1
  Si  Si191  1  0.168032  0.165309  0.334864  1
  Si  Si192  1  0.166640  0.166672  0.666307  1
  Si  Si193  1  0.167995  0.501599  0.998654  1
  Si  Si194  1  0.166173  0.501731  0.335009  1
  Si  Si195  1  0.166849  0.500435  0.666387  1
  Si  Si196  1  0.166719  0.833050  0.999875  1
  Si  Si197  1  0.166894  0.833163  0.333756  1
  Si  Si198  1  0.166629  0.832986  0.666282  1
  Si  Si199  1  0.500381  0.166589  0.999911  1
  Si  Si200  1  0.500250  0.166533  0.333697  1
  Si  Si201  1  0.500290  0.166748  0.666337  1
  Si  Si202  1  0.500103  0.500380  0.999760  1
  Si  Si203  1  0.500274  0.500233  0.333535  1
  Si  Si204  1  0.500057  0.500168  0.666610  1
  Si  Si205  1  0.500322  0.832963  0.000086  1
  Si  Si206  1  0.500150  0.833186  0.333551  1
  Si  Si207  1  0.500088  0.833451  0.666647  1
  Si  Si208  1  0.831728  0.165369  0.998671  1
  Si  Si209  1  0.831599  0.167117  0.335034  1
  Si  Si210  1  0.832988  0.166513  0.666349  1
  Si  Si211  1  0.831694  0.501626  0.000480  1
  Si  Si212  1  0.832751  0.500675  0.333922  1
  Si  Si213  1  0.833066  0.500192  0.666369  1
  Si  Si214  1  0.832937  0.833016  0.999765  1
  Si  Si215  1  0.833118  0.833020  0.333528  1
  Si  Si216  1  0.833023  0.833207  0.666687  1
  Ge  Ge217  1  0.083253  0.249993  0.083343  1