# generated using pymatgen
data_Si216Ru
_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   Si216Ru
_chemical_formula_sum   'Si216 Ru1'
_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  0.249458  0.249208  0.082540  1
  Si  Si2  1  0.251044  0.250290  0.417409  1
  Si  Si3  1  0.250116  0.249633  0.749884  1
  Si  Si4  1  0.251046  0.584076  0.083625  1
  Si  Si5  1  0.250861  0.583801  0.417135  1
  Si  Si6  1  0.250218  0.583135  0.749670  1
  Si  Si7  1  0.250109  0.916549  0.082966  1
  Si  Si8  1  0.250216  0.916339  0.416473  1
  Si  Si9  1  0.250189  0.916395  0.749728  1
  Si  Si10  1  0.583550  0.249855  0.083200  1
  Si  Si11  1  0.583575  0.249617  0.416415  1
  Si  Si12  1  0.583414  0.249814  0.749689  1
  Si  Si13  1  0.583575  0.583082  0.082951  1
  Si  Si14  1  0.583378  0.583125  0.416457  1
  Si  Si15  1  0.583460  0.583108  0.749702  1
  Si  Si16  1  0.583411  0.916359  0.083146  1
  Si  Si17  1  0.583459  0.916366  0.416444  1
  Si  Si18  1  0.583558  0.916413  0.749747  1
  Si  Si19  1  0.913299  0.246347  0.079678  1
  Si  Si20  1  0.916209  0.249202  0.415810  1
  Si  Si21  1  0.916972  0.249877  0.749839  1
  Si  Si22  1  0.916208  0.582477  0.082536  1
  Si  Si23  1  0.917303  0.584009  0.417339  1
  Si  Si24  1  0.916725  0.582997  0.749873  1
  Si  Si25  1  0.916975  0.916506  0.083207  1
  Si  Si26  1  0.916722  0.916543  0.416328  1
  Si  Si27  1  0.916890  0.916380  0.749715  1
  Si  Si28  1  0.000097  0.999954  0.000042  1
  Si  Si29  1  0.000308  0.999951  0.332897  1
  Si  Si30  1  0.000194  0.999943  0.666497  1
  Si  Si31  1  0.000181  0.333155  0.999973  1
  Si  Si32  1  0.000141  0.333190  0.333077  1
  Si  Si33  1  0.000214  0.333122  0.666473  1
  Si  Si34  1  0.000226  0.666426  0.000053  1
  Si  Si35  1  0.000092  0.666393  0.332960  1
  Si  Si36  1  0.000192  0.666345  0.666495  1
  Si  Si37  1  0.333660  0.999667  0.999813  1
  Si  Si38  1  0.333925  0.999408  0.333388  1
  Si  Si39  1  0.333594  0.999738  0.666493  1
  Si  Si40  1  0.333383  0.333237  0.000045  1
  Si  Si41  1  0.333382  0.333025  0.332894  1
  Si  Si42  1  0.333393  0.333141  0.666499  1
  Si  Si43  1  0.333970  0.666919  0.999550  1
  Si  Si44  1  0.333734  0.666596  0.333151  1
  Si  Si45  1  0.333561  0.666471  0.666444  1
  Si  Si46  1  0.666412  0.999365  0.999546  1
  Si  Si47  1  0.666738  0.999600  0.333152  1
  Si  Si48  1  0.666862  0.999771  0.666444  1
  Si  Si49  1  0.666910  0.333108  0.000054  1
  Si  Si50  1  0.666939  0.333242  0.332961  1
  Si  Si51  1  0.666987  0.333141  0.666496  1
  Si  Si52  1  0.666678  0.666655  0.999770  1
  Si  Si53  1  0.666443  0.666888  0.333404  1
  Si  Si54  1  0.666848  0.666487  0.666505  1
  Si  Si55  1  0.250987  0.082348  0.249405  1
  Si  Si56  1  0.250257  0.083073  0.583282  1
  Si  Si57  1  0.250826  0.082507  0.915841  1
  Si  Si58  1  0.249453  0.417091  0.250423  1
  Si  Si59  1  0.250183  0.416667  0.583069  1
  Si  Si60  1  0.250990  0.416074  0.915679  1
  Si  Si61  1  0.250189  0.749736  0.250009  1
  Si  Si62  1  0.250249  0.749865  0.583199  1
  Si  Si63  1  0.250257  0.749945  0.916405  1
  Si  Si64  1  0.583599  0.083146  0.250008  1
  Si  Si65  1  0.583466  0.083082  0.583200  1
  Si  Si66  1  0.583382  0.083078  0.916402  1
  Si  Si67  1  0.583594  0.416358  0.249689  1
  Si  Si68  1  0.583474  0.416438  0.583190  1
  Si  Si69  1  0.583602  0.416667  0.916486  1
  Si  Si70  1  0.583469  0.749861  0.249765  1
  Si  Si71  1  0.583599  0.749735  0.583070  1
  Si  Si72  1  0.583464  0.749869  0.916412  1
  Si  Si73  1  0.916239  0.083878  0.250425  1
  Si  Si74  1  0.916661  0.083150  0.583068  1
  Si  Si75  1  0.917258  0.082344  0.915676  1
  Si  Si76  1  0.913331  0.420003  0.253339  1
  Si  Si77  1  0.916978  0.416358  0.583073  1
  Si  Si78  1  0.916237  0.417095  0.917211  1
  Si  Si79  1  0.916977  0.749739  0.249691  1
  Si  Si80  1  0.916896  0.749859  0.583192  1
  Si  Si81  1  0.916668  0.749732  0.916488  1
  Si  Si82  1  0.000183  0.166645  0.166488  1
  Si  Si83  1  0.000221  0.166712  0.499759  1
  Si  Si84  1  0.000098  0.166712  0.833282  1
  Si  Si85  1  0.000142  0.499743  0.166521  1
  Si  Si86  1  0.000092  0.499628  0.499727  1
  Si  Si87  1  0.000308  0.499564  0.833286  1
  Si  Si88  1  0.000214  0.833140  0.166454  1
  Si  Si89  1  0.000191  0.833163  0.499676  1
  Si  Si90  1  0.000195  0.833162  0.833278  1
  Si  Si91  1  0.333381  0.166710  0.166567  1
  Si  Si92  1  0.333970  0.166215  0.500254  1
  Si  Si93  1  0.333663  0.166479  0.833005  1
  Si  Si94  1  0.333386  0.499559  0.166357  1
  Si  Si95  1  0.333731  0.499818  0.499930  1
  Si  Si96  1  0.333931  0.500054  0.832737  1
  Si  Si97  1  0.333391  0.833166  0.166471  1
  Si  Si98  1  0.333563  0.833112  0.499805  1
  Si  Si99  1  0.333593  0.833160  0.833070  1
  Si  Si100  1  0.666911  0.166706  0.166446  1
  Si  Si101  1  0.666678  0.166438  0.499986  1
  Si  Si102  1  0.666415  0.166218  0.832691  1
  Si  Si103  1  0.666938  0.499630  0.166575  1
  Si  Si104  1  0.666445  0.500076  0.500217  1
  Si  Si105  1  0.666739  0.499818  0.832935  1
  Si  Si106  1  0.666986  0.833163  0.166471  1
  Si  Si107  1  0.666847  0.833170  0.499819  1
  Si  Si108  1  0.666861  0.833111  0.833106  1
  Si  Si109  1  0.086977  0.246356  0.253364  1
  Si  Si110  1  0.083476  0.249859  0.583120  1
  Si  Si111  1  0.084125  0.249207  0.917209  1
  Si  Si112  1  0.084132  0.582475  0.250459  1
  Si  Si113  1  0.083717  0.583083  0.583092  1
  Si  Si114  1  0.083043  0.584076  0.915624  1
  Si  Si115  1  0.083458  0.916507  0.249696  1
  Si  Si116  1  0.083517  0.916358  0.583253  1
  Si  Si117  1  0.083703  0.916547  0.916562  1
  Si  Si118  1  0.416827  0.249876  0.249695  1
  Si  Si119  1  0.416975  0.249817  0.583253  1
  Si  Si120  1  0.416788  0.249629  0.916564  1
  Si  Si121  1  0.416793  0.582998  0.249935  1
  Si  Si122  1  0.416968  0.583109  0.583211  1
  Si  Si123  1  0.416997  0.583136  0.916448  1
  Si  Si124  1  0.416950  0.916384  0.249780  1
  Si  Si125  1  0.416921  0.916414  0.583110  1
  Si  Si126  1  0.416937  0.916395  0.916478  1
  Si  Si127  1  0.750858  0.249201  0.250462  1
  Si  Si128  1  0.750253  0.249617  0.583089  1
  Si  Si129  1  0.749253  0.250289  0.915622  1
  Si  Si130  1  0.749324  0.584010  0.249364  1
  Si  Si131  1  0.750208  0.583126  0.583281  1
  Si  Si132  1  0.749532  0.583801  0.915804  1
  Si  Si133  1  0.750335  0.916538  0.249938  1
  Si  Si134  1  0.750223  0.916366  0.583210  1
  Si  Si135  1  0.750196  0.916337  0.916449  1
  Si  Si136  1  0.166622  0.999953  0.166571  1
  Si  Si137  1  0.167116  0.999362  0.500254  1
  Si  Si138  1  0.166854  0.999672  0.833002  1
  Si  Si139  1  0.166686  0.333151  0.166486  1
  Si  Si140  1  0.166621  0.333111  0.499758  1
  Si  Si141  1  0.166625  0.333236  0.833286  1
  Si  Si142  1  0.166627  0.666422  0.166450  1
  Si  Si143  1  0.166895  0.666655  0.499987  1
  Si  Si144  1  0.167116  0.666917  0.832693  1
  Si  Si145  1  0.500167  0.999941  0.166472  1
  Si  Si146  1  0.500223  0.999773  0.499805  1
  Si  Si147  1  0.500172  0.999739  0.833070  1
  Si  Si148  1  0.500194  0.333119  0.166457  1
  Si  Si149  1  0.500171  0.333143  0.499676  1
  Si  Si150  1  0.500175  0.333138  0.833281  1
  Si  Si151  1  0.500170  0.666347  0.166473  1
  Si  Si152  1  0.500162  0.666486  0.499821  1
  Si  Si153  1  0.500223  0.666471  0.833105  1
  Si  Si154  1  0.833772  0.999948  0.166357  1
  Si  Si155  1  0.833514  0.999603  0.499929  1
  Si  Si156  1  0.833280  0.999403  0.832736  1
  Si  Si157  1  0.833590  0.333191  0.166527  1
  Si  Si158  1  0.833704  0.333242  0.499727  1
  Si  Si159  1  0.833767  0.333024  0.833286  1
  Si  Si160  1  0.833703  0.666397  0.166574  1
  Si  Si161  1  0.833259  0.666888  0.500219  1
  Si  Si162  1  0.833516  0.666595  0.832936  1
  Si  Si163  1  0.084127  0.083877  0.082539  1
  Si  Si164  1  0.083044  0.082290  0.417409  1
  Si  Si165  1  0.083702  0.083221  0.749884  1
  Si  Si166  1  0.086979  0.420030  0.079681  1
  Si  Si167  1  0.084131  0.417125  0.415808  1
  Si  Si168  1  0.083457  0.416362  0.749841  1
  Si  Si169  1  0.083481  0.749785  0.083201  1
  Si  Si170  1  0.083717  0.749758  0.416415  1
  Si  Si171  1  0.083518  0.749918  0.749691  1
  Si  Si172  1  0.416784  0.083222  0.082964  1
  Si  Si173  1  0.416996  0.083117  0.416472  1
  Si  Si174  1  0.416938  0.083144  0.749728  1
  Si  Si175  1  0.416829  0.416359  0.083208  1
  Si  Si176  1  0.416790  0.416611  0.416328  1
  Si  Si177  1  0.416955  0.416443  0.749716  1
  Si  Si178  1  0.416974  0.749919  0.083147  1
  Si  Si179  1  0.416969  0.749876  0.416445  1
  Si  Si180  1  0.416921  0.749776  0.749746  1
  Si  Si181  1  0.749256  0.082285  0.083623  1
  Si  Si182  1  0.749532  0.082473  0.417135  1
  Si  Si183  1  0.750197  0.083113  0.749669  1
  Si  Si184  1  0.750862  0.417125  0.082539  1
  Si  Si185  1  0.749325  0.416032  0.417339  1
  Si  Si186  1  0.750336  0.416603  0.749872  1
  Si  Si187  1  0.750252  0.749759  0.082950  1
  Si  Si188  1  0.750208  0.749955  0.416457  1
  Si  Si189  1  0.750225  0.749876  0.749701  1
  Si  Si190  1  0.167725  0.165608  0.998940  1
  Si  Si191  1  0.169198  0.164136  0.335629  1
  Si  Si192  1  0.166859  0.166476  0.666454  1
  Si  Si193  1  0.169195  0.502295  0.997474  1
  Si  Si194  1  0.167734  0.500717  0.334047  1
  Si  Si195  1  0.166833  0.499774  0.666511  1
  Si  Si196  1  0.166858  0.833117  0.999810  1
  Si  Si197  1  0.166836  0.833177  0.333111  1
  Si  Si198  1  0.166922  0.833129  0.666461  1
  Si  Si199  1  0.500217  0.166475  0.999811  1
  Si  Si200  1  0.500155  0.166498  0.333108  1
  Si  Si201  1  0.500202  0.166410  0.666461  1
  Si  Si202  1  0.500159  0.499777  0.999831  1
  Si  Si203  1  0.500229  0.499738  0.333068  1
  Si  Si204  1  0.500208  0.499821  0.666460  1
  Si  Si205  1  0.500202  0.833129  0.999742  1
  Si  Si206  1  0.500206  0.833127  0.333155  1
  Si  Si207  1  0.500256  0.833076  0.666410  1
  Si  Si208  1  0.831044  0.164140  0.997475  1
  Si  Si209  1  0.832618  0.165600  0.334050  1
  Si  Si210  1  0.833558  0.166499  0.666510  1
  Si  Si211  1  0.832616  0.500718  0.998932  1
  Si  Si212  1  0.831123  0.502213  0.335541  1
  Si  Si213  1  0.833596  0.499737  0.666435  1
  Si  Si214  1  0.833559  0.833176  0.999831  1
  Si  Si215  1  0.833595  0.833103  0.333070  1
  Si  Si216  1  0.833514  0.833128  0.666461  1
  Ru  Ru217  1  0.000165  0.333161  0.166502  1
