# generated using pymatgen
data_Si216Mo
_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   Si216Mo
_chemical_formula_sum   'Si216 Mo1'
_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  0.261380  0.249556  0.083797  1
  Si  Si2  1  0.251538  0.250203  0.419131  1
  Si  Si3  1  0.250200  0.250084  0.749345  1
  Si  Si4  1  0.250157  0.584040  0.083311  1
  Si  Si5  1  0.250244  0.583731  0.417318  1
  Si  Si6  1  0.249981  0.583683  0.749606  1
  Si  Si7  1  0.251496  0.914242  0.083046  1
  Si  Si8  1  0.250059  0.916492  0.416920  1
  Si  Si9  1  0.250235  0.916029  0.749640  1
  Si  Si10  1  0.583552  0.250142  0.083270  1
  Si  Si11  1  0.583782  0.250151  0.417402  1
  Si  Si12  1  0.583348  0.250072  0.749544  1
  Si  Si13  1  0.583325  0.583820  0.083311  1
  Si  Si14  1  0.583235  0.583328  0.416784  1
  Si  Si15  1  0.583208  0.583570  0.749866  1
  Si  Si16  1  0.583759  0.915996  0.083257  1
  Si  Si17  1  0.583522  0.916468  0.416842  1
  Si  Si18  1  0.583177  0.916487  0.749904  1
  Si  Si19  1  0.911479  0.252165  0.081147  1
  Si  Si20  1  0.915861  0.249613  0.417799  1
  Si  Si21  1  0.915525  0.250396  0.748736  1
  Si  Si22  1  0.915578  0.584666  0.082963  1
  Si  Si23  1  0.916393  0.583463  0.416607  1
  Si  Si24  1  0.916290  0.583408  0.749974  1
  Si  Si25  1  0.915795  0.915563  0.083752  1
  Si  Si26  1  0.916538  0.916298  0.417083  1
  Si  Si27  1  0.916331  0.916691  0.749776  1
  Si  Si28  1  0.997429  0.997754  0.997448  1
  Si  Si29  1  0.000990  0.999002  0.334372  1
  Si  Si30  1  0.999845  0.999634  0.666592  1
  Si  Si31  1  0.000202  0.333121  0.000233  1
  Si  Si32  1  0.997492  0.335902  0.335590  1
  Si  Si33  1  0.999699  0.333600  0.666345  1
  Si  Si34  1  0.999677  0.667064  0.999690  1
  Si  Si35  1  0.999883  0.666744  0.333738  1
  Si  Si36  1  0.999796  0.666537  0.666785  1
  Si  Si37  1  0.334302  0.998998  0.001061  1
  Si  Si38  1  0.333558  0.999755  0.333637  1
  Si  Si39  1  0.333786  0.999523  0.666921  1
  Si  Si40  1  0.335596  0.335902  0.997460  1
  Si  Si41  1  0.334307  0.332234  0.334385  1
  Si  Si42  1  0.333742  0.333407  0.666614  1
  Si  Si43  1  0.333670  0.666774  0.999964  1
  Si  Si44  1  0.333733  0.666469  0.333772  1
  Si  Si45  1  0.333561  0.666684  0.666571  1
  Si  Si46  1  0.666536  0.999599  0.999931  1
  Si  Si47  1  0.666952  0.999647  0.333751  1
  Si  Si48  1  0.666601  0.999612  0.666686  1
  Si  Si49  1  0.666282  0.333678  0.999717  1
  Si  Si50  1  0.666552  0.333403  0.333724  1
  Si  Si51  1  0.666759  0.333560  0.666815  1
  Si  Si52  1  0.666714  0.666625  0.999860  1
  Si  Si53  1  0.666575  0.666610  0.333630  1
  Si  Si54  1  0.666674  0.666538  0.666650  1
  Si  Si55  1  0.249783  0.083520  0.249803  1
  Si  Si56  1  0.250372  0.082934  0.583830  1
  Si  Si57  1  0.252593  0.080755  0.914531  1
  Si  Si58  1  0.252577  0.418777  0.252656  1
  Si  Si59  1  0.250172  0.417009  0.583556  1
  Si  Si60  1  0.249006  0.417622  0.915759  1
  Si  Si61  1  0.250317  0.749597  0.250399  1
  Si  Si62  1  0.250204  0.750123  0.583217  1
  Si  Si63  1  0.250112  0.749792  0.916302  1
  Si  Si64  1  0.583772  0.083013  0.250379  1
  Si  Si65  1  0.583297  0.083035  0.583270  1
  Si  Si66  1  0.583514  0.083180  0.916298  1
  Si  Si67  1  0.583508  0.417046  0.250174  1
  Si  Si68  1  0.583359  0.416987  0.583475  1
  Si  Si69  1  0.583102  0.417085  0.916350  1
  Si  Si70  1  0.583219  0.750070  0.250277  1
  Si  Si71  1  0.583288  0.749867  0.583273  1
  Si  Si72  1  0.583322  0.749943  0.916384  1
  Si  Si73  1  0.914546  0.080776  0.252586  1
  Si  Si74  1  0.916233  0.083201  0.583541  1
  Si  Si75  1  0.915678  0.084294  0.915732  1
  Si  Si76  1  0.915756  0.417589  0.248997  1
  Si  Si77  1  0.916295  0.416986  0.583175  1
  Si  Si78  1  0.916414  0.416945  0.916465  1
  Si  Si79  1  0.916254  0.749825  0.250203  1
  Si  Si80  1  0.916339  0.749845  0.583387  1
  Si  Si81  1  0.916281  0.750251  0.916309  1
  Si  Si82  1  0.988729  0.167084  0.166248  1
  Si  Si83  1  0.999857  0.166504  0.500844  1
  Si  Si84  1  0.998472  0.166319  0.831009  1
  Si  Si85  1  0.998530  0.502360  0.167008  1
  Si  Si86  1  0.999786  0.500553  0.500456  1
  Si  Si87  1  0.999939  0.500155  0.833214  1
  Si  Si88  1  0.999813  0.832544  0.166864  1
  Si  Si89  1  0.999970  0.832922  0.500422  1
  Si  Si90  1  0.999770  0.832932  0.832714  1
  Si  Si91  1  0.338581  0.164415  0.168926  1
  Si  Si92  1  0.334525  0.166168  0.501420  1
  Si  Si93  1  0.334275  0.167007  0.832335  1
  Si  Si94  1  0.334206  0.501010  0.166385  1
  Si  Si95  1  0.333598  0.499900  0.500242  1
  Si  Si96  1  0.333393  0.500331  0.833031  1
  Si  Si97  1  0.334456  0.831985  0.167131  1
  Si  Si98  1  0.333714  0.833233  0.500082  1
  Si  Si99  1  0.333593  0.833062  0.833417  1
  Si  Si100  1  0.666561  0.166532  0.166828  1
  Si  Si101  1  0.666695  0.166563  0.500503  1
  Si  Si102  1  0.666263  0.166517  0.832703  1
  Si  Si103  1  0.666257  0.500643  0.166832  1
  Si  Si104  1  0.666720  0.499980  0.500108  1
  Si  Si105  1  0.666568  0.500216  0.833269  1
  Si  Si106  1  0.666667  0.832879  0.166845  1
  Si  Si107  1  0.666736  0.833015  0.500205  1
  Si  Si108  1  0.666684  0.833162  0.833245  1
  Si  Si109  1  0.083794  0.249561  0.261350  1
  Si  Si110  1  0.083254  0.250041  0.583632  1
  Si  Si111  1  0.081132  0.252183  0.911506  1
  Si  Si112  1  0.083255  0.584023  0.250234  1
  Si  Si113  1  0.083254  0.583784  0.583362  1
  Si  Si114  1  0.082938  0.584669  0.915563  1
  Si  Si115  1  0.083001  0.914277  0.251564  1
  Si  Si116  1  0.083124  0.915997  0.583815  1
  Si  Si117  1  0.083722  0.915540  0.915823  1
  Si  Si118  1  0.419082  0.250286  0.251574  1
  Si  Si119  1  0.417346  0.250090  0.583833  1
  Si  Si120  1  0.417816  0.249615  0.915834  1
  Si  Si121  1  0.417249  0.583712  0.250299  1
  Si  Si122  1  0.416735  0.583471  0.583221  1
  Si  Si123  1  0.416557  0.583580  0.916430  1
  Si  Si124  1  0.416822  0.916492  0.250147  1
  Si  Si125  1  0.416891  0.916430  0.583404  1
  Si  Si126  1  0.416995  0.916262  0.916647  1
  Si  Si127  1  0.749303  0.250084  0.250199  1
  Si  Si128  1  0.749517  0.250107  0.583375  1
  Si  Si129  1  0.748658  0.250409  0.915588  1
  Si  Si130  1  0.749628  0.583696  0.249978  1
  Si  Si131  1  0.749792  0.583390  0.583250  1
  Si  Si132  1  0.749909  0.583484  0.916386  1
  Si  Si133  1  0.749636  0.916055  0.250286  1
  Si  Si134  1  0.749825  0.916454  0.583310  1
  Si  Si135  1  0.749715  0.916682  0.916391  1
  Si  Si136  1  0.168865  0.994774  0.168902  1
  Si  Si137  1  0.167058  0.998836  0.501438  1
  Si  Si138  1  0.166322  0.999088  0.832334  1
  Si  Si139  1  0.166284  0.344624  0.166273  1
  Si  Si140  1  0.166847  0.333406  0.500867  1
  Si  Si141  1  0.166999  0.334836  0.831010  1
  Si  Si142  1  0.166794  0.666786  0.166869  1
  Si  Si143  1  0.166739  0.666662  0.500473  1
  Si  Si144  1  0.166815  0.667057  0.832663  1
  Si  Si145  1  0.501353  0.998853  0.167151  1
  Si  Si146  1  0.500159  0.999579  0.500094  1
  Si  Si147  1  0.500205  0.999685  0.833453  1
  Si  Si148  1  0.500782  0.333492  0.166853  1
  Si  Si149  1  0.500394  0.333292  0.500481  1
  Si  Si150  1  0.500442  0.333579  0.832745  1
  Si  Si151  1  0.500432  0.666642  0.166825  1
  Si  Si152  1  0.500183  0.666524  0.500134  1
  Si  Si153  1  0.500023  0.666636  0.833270  1
  Si  Si154  1  0.832315  0.999111  0.166347  1
  Si  Si155  1  0.833337  0.999684  0.500310  1
  Si  Si156  1  0.832960  0.999888  0.833022  1
  Si  Si157  1  0.830983  0.334822  0.167001  1
  Si  Si158  1  0.832740  0.333535  0.500421  1
  Si  Si159  1  0.833167  0.333418  0.833241  1
  Si  Si160  1  0.832688  0.667083  0.166830  1
  Si  Si161  1  0.833244  0.666473  0.500120  1
  Si  Si162  1  0.833166  0.666767  0.833216  1
  Si  Si163  1  0.083778  0.072008  0.083748  1
  Si  Si164  1  0.083020  0.081778  0.419117  1
  Si  Si165  1  0.083220  0.083128  0.749331  1
  Si  Si166  1  0.081168  0.421832  0.081162  1
  Si  Si167  1  0.083779  0.417485  0.417849  1
  Si  Si168  1  0.082929  0.417767  0.748717  1
  Si  Si169  1  0.083181  0.749779  0.083291  1
  Si  Si170  1  0.083150  0.749562  0.417354  1
  Si  Si171  1  0.083246  0.749985  0.749526  1
  Si  Si172  1  0.419089  0.081785  0.083050  1
  Si  Si173  1  0.416905  0.083199  0.416883  1
  Si  Si174  1  0.417298  0.083059  0.749638  1
  Si  Si175  1  0.417765  0.417543  0.083779  1
  Si  Si176  1  0.417014  0.416665  0.417084  1
  Si  Si177  1  0.416618  0.416968  0.749812  1
  Si  Si178  1  0.417304  0.749551  0.083251  1
  Si  Si179  1  0.416893  0.749939  0.416835  1
  Si  Si180  1  0.416676  0.750034  0.749815  1
  Si  Si181  1  0.749274  0.083137  0.083261  1
  Si  Si182  1  0.749660  0.083126  0.417320  1
  Si  Si183  1  0.749591  0.083310  0.749639  1
  Si  Si184  1  0.748694  0.417789  0.082961  1
  Si  Si185  1  0.749795  0.416905  0.416589  1
  Si  Si186  1  0.749883  0.417054  0.750023  1
  Si  Si187  1  0.749512  0.750026  0.083308  1
  Si  Si188  1  0.749841  0.749910  0.416788  1
  Si  Si189  1  0.749736  0.750003  0.749778  1
  Si  Si190  1  0.166274  0.167095  0.988713  1
  Si  Si191  1  0.168879  0.164396  0.338574  1
  Si  Si192  1  0.166849  0.166472  0.666634  1
  Si  Si193  1  0.166989  0.502383  0.998523  1
  Si  Si194  1  0.166334  0.501012  0.334295  1
  Si  Si195  1  0.166808  0.500608  0.666272  1
  Si  Si196  1  0.166775  0.832500  0.999880  1
  Si  Si197  1  0.167051  0.831994  0.334532  1
  Si  Si198  1  0.166747  0.832882  0.666683  1
  Si  Si199  1  0.500824  0.166523  0.999888  1
  Si  Si200  1  0.501386  0.166260  0.334541  1
  Si  Si201  1  0.500502  0.166507  0.666702  1
  Si  Si202  1  0.500378  0.500651  0.999825  1
  Si  Si203  1  0.500176  0.499869  0.333634  1
  Si  Si204  1  0.500077  0.500148  0.666764  1
  Si  Si205  1  0.500370  0.832937  0.000092  1
  Si  Si206  1  0.500120  0.833284  0.333708  1
  Si  Si207  1  0.500194  0.833028  0.666711  1
  Si  Si208  1  0.830943  0.166324  0.998507  1
  Si  Si209  1  0.832353  0.167038  0.334252  1
  Si  Si210  1  0.832645  0.166528  0.666301  1
  Si  Si211  1  0.833179  0.500190  0.999978  1
  Si  Si212  1  0.833008  0.500284  0.333372  1
  Si  Si213  1  0.833194  0.500092  0.666657  1
  Si  Si214  1  0.832696  0.832938  0.999802  1
  Si  Si215  1  0.833344  0.833051  0.333688  1
  Si  Si216  1  0.833233  0.833128  0.666739  1
  Mo  Mo217  1  0.125063  0.208327  0.125010  1
