# generated using pymatgen
data_Si216Sn
_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   Si216Sn
_chemical_formula_sum   'Si216 Sn1'
_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  0.256827  0.250011  0.083284  1
  Si  Si2  1  0.250686  0.250289  0.417801  1
  Si  Si3  1  0.250630  0.249637  0.748835  1
  Si  Si4  1  0.250660  0.584541  0.083539  1
  Si  Si5  1  0.250593  0.584688  0.417994  1
  Si  Si6  1  0.250100  0.583593  0.749704  1
  Si  Si7  1  0.250663  0.915498  0.083083  1
  Si  Si8  1  0.250255  0.916437  0.416919  1
  Si  Si9  1  0.250632  0.915299  0.748592  1
  Si  Si10  1  0.583319  0.250016  0.083195  1
  Si  Si11  1  0.583334  0.250031  0.417119  1
  Si  Si12  1  0.583343  0.250009  0.749513  1
  Si  Si13  1  0.583394  0.583807  0.083313  1
  Si  Si14  1  0.583481  0.583531  0.416866  1
  Si  Si15  1  0.583209  0.583439  0.749757  1
  Si  Si16  1  0.583411  0.916227  0.083302  1
  Si  Si17  1  0.583319  0.916469  0.416855  1
  Si  Si18  1  0.583500  0.916350  0.749797  1
  Si  Si19  1  0.909893  0.250074  0.083284  1
  Si  Si20  1  0.916087  0.249734  0.417784  1
  Si  Si21  1  0.916063  0.250261  0.748794  1
  Si  Si22  1  0.916068  0.584543  0.083058  1
  Si  Si23  1  0.916551  0.583622  0.416895  1
  Si  Si24  1  0.916141  0.584690  0.748547  1
  Si  Si25  1  0.916108  0.915535  0.083592  1
  Si  Si26  1  0.916101  0.915406  0.417989  1
  Si  Si27  1  0.916475  0.916412  0.749701  1
  Si  Si28  1  0.998366  0.997666  0.998298  1
  Si  Si29  1  0.000524  0.997598  0.335748  1
  Si  Si30  1  0.999808  0.999392  0.666243  1
  Si  Si31  1  0.991816  0.341599  0.991728  1
  Si  Si32  1  0.998356  0.335032  0.335658  1
  Si  Si33  1  0.999920  0.333392  0.666107  1
  Si  Si34  1  0.999929  0.667161  0.999846  1
  Si  Si35  1  0.999827  0.667112  0.333894  1
  Si  Si36  1  0.999948  0.667365  0.665932  1
  Si  Si37  1  0.335829  0.997506  0.000523  1
  Si  Si38  1  0.334015  0.999452  0.333908  1
  Si  Si39  1  0.333695  0.999673  0.666255  1
  Si  Si40  1  0.335751  0.335016  0.998260  1
  Si  Si41  1  0.335813  0.332849  0.335728  1
  Si  Si42  1  0.333813  0.333527  0.666238  1
  Si  Si43  1  0.333882  0.667165  0.999708  1
  Si  Si44  1  0.333647  0.667033  0.333596  1
  Si  Si45  1  0.333572  0.666708  0.666547  1
  Si  Si46  1  0.666326  0.999440  0.999709  1
  Si  Si47  1  0.666420  0.999785  0.333574  1
  Si  Si48  1  0.666568  0.999755  0.666585  1
  Si  Si49  1  0.666157  0.333489  0.999782  1
  Si  Si50  1  0.666238  0.333602  0.333858  1
  Si  Si51  1  0.666109  0.333336  0.666017  1
  Si  Si52  1  0.666150  0.667286  0.999983  1
  Si  Si53  1  0.666570  0.666728  0.333470  1
  Si  Si54  1  0.666616  0.666610  0.666573  1
  Si  Si55  1  0.250735  0.082728  0.250591  1
  Si  Si56  1  0.250383  0.083074  0.583233  1
  Si  Si57  1  0.257434  0.075864  0.909277  1
  Si  Si58  1  0.257437  0.424114  0.257363  1
  Si  Si59  1  0.250208  0.416909  0.583393  1
  Si  Si60  1  0.250673  0.417306  0.915974  1
  Si  Si61  1  0.250320  0.750115  0.250280  1
  Si  Si62  1  0.250380  0.749949  0.583263  1
  Si  Si63  1  0.250253  0.749973  0.916309  1
  Si  Si64  1  0.583396  0.083149  0.250239  1
  Si  Si65  1  0.583353  0.083006  0.583366  1
  Si  Si66  1  0.583485  0.083056  0.916340  1
  Si  Si67  1  0.583405  0.416975  0.250227  1
  Si  Si68  1  0.583425  0.416939  0.583293  1
  Si  Si69  1  0.583211  0.416917  0.916350  1
  Si  Si70  1  0.583403  0.750000  0.250222  1
  Si  Si71  1  0.583459  0.749883  0.583302  1
  Si  Si72  1  0.583429  0.749966  0.916371  1
  Si  Si73  1  0.909285  0.075996  0.257376  1
  Si  Si74  1  0.916508  0.083043  0.583370  1
  Si  Si75  1  0.916074  0.082737  0.916006  1
  Si  Si76  1  0.916084  0.417339  0.250569  1
  Si  Si77  1  0.916418  0.416870  0.583232  1
  Si  Si78  1  0.909269  0.424119  0.909219  1
  Si  Si79  1  0.916534  0.750000  0.250266  1
  Si  Si80  1  0.916343  0.750098  0.583227  1
  Si  Si81  1  0.916481  0.750063  0.916361  1
  Si  Si82  1  0.991801  0.158513  0.174866  1
  Si  Si83  1  0.999924  0.166499  0.500414  1
  Si  Si84  1  0.998358  0.164984  0.830914  1
  Si  Si85  1  0.998386  0.502429  0.168307  1
  Si  Si86  1  0.999746  0.500545  0.500399  1
  Si  Si87  1  0.000507  0.502446  0.830802  1
  Si  Si88  1  0.999991  0.832873  0.166745  1
  Si  Si89  1  0.999995  0.832806  0.500571  1
  Si  Si90  1  0.999758  0.832959  0.832714  1
  Si  Si91  1  0.335797  0.165008  0.168287  1
  Si  Si92  1  0.333969  0.166467  0.500383  1
  Si  Si93  1  0.335797  0.167087  0.830875  1
  Si  Si94  1  0.335801  0.502475  0.166098  1
  Si  Si95  1  0.333572  0.500242  0.500360  1
  Si  Si96  1  0.333926  0.500631  0.832713  1
  Si  Si97  1  0.333954  0.832971  0.166947  1
  Si  Si98  1  0.333643  0.833182  0.500053  1
  Si  Si99  1  0.333671  0.832961  0.832999  1
  Si  Si100  1  0.666224  0.166612  0.166701  1
  Si  Si101  1  0.666023  0.166629  0.500620  1
  Si  Si102  1  0.666292  0.166430  0.832708  1
  Si  Si103  1  0.666298  0.500597  0.166916  1
  Si  Si104  1  0.666630  0.500188  0.500040  1
  Si  Si105  1  0.666334  0.500224  0.833068  1
  Si  Si106  1  0.666133  0.832750  0.166667  1
  Si  Si107  1  0.666627  0.833216  0.500025  1
  Si  Si108  1  0.666663  0.833161  0.833122  1
  Si  Si109  1  0.083413  0.250052  0.256744  1
  Si  Si110  1  0.083421  0.249894  0.583273  1
  Si  Si111  1  0.083357  0.250006  0.909851  1
  Si  Si112  1  0.083664  0.584537  0.250624  1
  Si  Si113  1  0.083316  0.583803  0.583291  1
  Si  Si114  1  0.083065  0.584516  0.915943  1
  Si  Si115  1  0.083118  0.915543  0.250633  1
  Si  Si116  1  0.083430  0.916236  0.583291  1
  Si  Si117  1  0.083612  0.915508  0.916003  1
  Si  Si118  1  0.417890  0.250302  0.250586  1
  Si  Si119  1  0.417151  0.250040  0.583342  1
  Si  Si120  1  0.417835  0.249667  0.915993  1
  Si  Si121  1  0.418023  0.584718  0.250507  1
  Si  Si122  1  0.416929  0.583448  0.583475  1
  Si  Si123  1  0.416921  0.583632  0.916516  1
  Si  Si124  1  0.417045  0.916449  0.250156  1
  Si  Si125  1  0.417004  0.916374  0.583181  1
  Si  Si126  1  0.418052  0.915295  0.916081  1
  Si  Si127  1  0.748850  0.249801  0.250585  1
  Si  Si128  1  0.749582  0.249956  0.583293  1
  Si  Si129  1  0.748842  0.250314  0.915967  1
  Si  Si130  1  0.749843  0.583629  0.250100  1
  Si  Si131  1  0.749846  0.583560  0.583105  1
  Si  Si132  1  0.748701  0.584671  0.916067  1
  Si  Si133  1  0.748745  0.915383  0.250508  1
  Si  Si134  1  0.749747  0.916446  0.583395  1
  Si  Si135  1  0.749829  0.916393  0.916493  1
  Si  Si136  1  0.168395  0.997657  0.168352  1
  Si  Si137  1  0.167007  0.999480  0.500380  1
  Si  Si138  1  0.166218  0.997496  0.830864  1
  Si  Si139  1  0.174929  0.341591  0.174804  1
  Si  Si140  1  0.166798  0.333444  0.500437  1
  Si  Si141  1  0.168376  0.334993  0.830918  1
  Si  Si142  1  0.166884  0.667180  0.166806  1
  Si  Si143  1  0.166705  0.667284  0.500581  1
  Si  Si144  1  0.166861  0.667142  0.832695  1
  Si  Si145  1  0.500539  0.999471  0.166923  1
  Si  Si146  1  0.500169  0.999788  0.500083  1
  Si  Si147  1  0.500412  0.999689  0.833057  1
  Si  Si148  1  0.500524  0.333492  0.166740  1
  Si  Si149  1  0.500623  0.333409  0.500603  1
  Si  Si150  1  0.500370  0.333539  0.832738  1
  Si  Si151  1  0.500632  0.667321  0.166626  1
  Si  Si152  1  0.500131  0.666663  0.500116  1
  Si  Si153  1  0.500177  0.666738  0.833127  1
  Si  Si154  1  0.830940  0.997613  0.166109  1
  Si  Si155  1  0.833079  0.999773  0.500359  1
  Si  Si156  1  0.832775  0.999451  0.832731  1
  Si  Si157  1  0.830965  0.335087  0.168291  1
  Si  Si158  1  0.832797  0.333546  0.500364  1
  Si  Si159  1  0.830916  0.332857  0.830832  1
  Si  Si160  1  0.832876  0.667173  0.166923  1
  Si  Si161  1  0.833121  0.666850  0.499991  1
  Si  Si162  1  0.833138  0.666990  0.833034  1
  Si  Si163  1  0.083369  0.076577  0.083332  1
  Si  Si164  1  0.083154  0.082706  0.417765  1
  Si  Si165  1  0.083635  0.082646  0.748835  1
  Si  Si166  1  0.083383  0.423513  0.083251  1
  Si  Si167  1  0.083605  0.417315  0.417809  1
  Si  Si168  1  0.083063  0.417252  0.748793  1
  Si  Si169  1  0.083467  0.750002  0.083282  1
  Si  Si170  1  0.083371  0.750065  0.417121  1
  Si  Si171  1  0.083327  0.750072  0.749437  1
  Si  Si172  1  0.417909  0.082654  0.083055  1
  Si  Si173  1  0.417020  0.083232  0.416899  1
  Si  Si174  1  0.418058  0.082712  0.748645  1
  Si  Si175  1  0.417855  0.417315  0.083558  1
  Si  Si176  1  0.418000  0.417261  0.417995  1
  Si  Si177  1  0.416855  0.416754  0.749715  1
  Si  Si178  1  0.417131  0.750061  0.083294  1
  Si  Si179  1  0.417039  0.750071  0.416861  1
  Si  Si180  1  0.416966  0.749812  0.749752  1
  Si  Si181  1  0.748883  0.082751  0.083536  1
  Si  Si182  1  0.748700  0.082836  0.418014  1
  Si  Si183  1  0.749796  0.083199  0.749688  1
  Si  Si184  1  0.748804  0.417329  0.083008  1
  Si  Si185  1  0.749795  0.416802  0.416856  1
  Si  Si186  1  0.748689  0.417253  0.748603  1
  Si  Si187  1  0.749645  0.750051  0.083309  1
  Si  Si188  1  0.749766  0.749915  0.416729  1
  Si  Si189  1  0.749806  0.750011  0.749717  1
  Si  Si190  1  0.174902  0.158459  0.991767  1
  Si  Si191  1  0.168434  0.165008  0.335653  1
  Si  Si192  1  0.166852  0.166435  0.666164  1
  Si  Si193  1  0.168382  0.502426  0.998221  1
  Si  Si194  1  0.166197  0.502457  0.335774  1
  Si  Si195  1  0.166861  0.500554  0.666229  1
  Si  Si196  1  0.166850  0.832875  0.999819  1
  Si  Si197  1  0.166969  0.832979  0.333905  1
  Si  Si198  1  0.166783  0.832699  0.665958  1
  Si  Si199  1  0.500517  0.166465  0.999798  1
  Si  Si200  1  0.500487  0.166459  0.333839  1
  Si  Si201  1  0.500627  0.166628  0.666044  1
  Si  Si202  1  0.500434  0.500593  0.999732  1
  Si  Si203  1  0.500325  0.500288  0.333567  1
  Si  Si204  1  0.500121  0.500073  0.666550  1
  Si  Si205  1  0.500696  0.832720  0.999940  1
  Si  Si206  1  0.500229  0.833223  0.333516  1
  Si  Si207  1  0.500186  0.833149  0.666546  1
  Si  Si208  1  0.830989  0.165049  0.998258  1
  Si  Si209  1  0.830893  0.167229  0.335739  1
  Si  Si210  1  0.832857  0.166392  0.666186  1
  Si  Si211  1  0.830910  0.502474  0.000499  1
  Si  Si212  1  0.832811  0.500602  0.333885  1
  Si  Si213  1  0.833099  0.500264  0.666237  1
  Si  Si214  1  0.832891  0.832942  0.999726  1
  Si  Si215  1  0.833137  0.833051  0.333538  1
  Si  Si216  1  0.833079  0.833222  0.666521  1
  Sn  Sn217  1  0.083351  0.250035  0.083297  1
