# generated using pymatgen
data_Si216Ir
_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   Si216Ir
_chemical_formula_sum   'Si216 Ir1'
_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  0.253339  0.249183  0.083441  1
  Si  Si2  1  0.251080  0.249996  0.417079  1
  Si  Si3  1  0.250942  0.249611  0.749088  1
  Si  Si4  1  0.250952  0.583966  0.083317  1
  Si  Si5  1  0.249653  0.584021  0.417244  1
  Si  Si6  1  0.250103  0.582964  0.749994  1
  Si  Si7  1  0.251240  0.915492  0.082752  1
  Si  Si8  1  0.250091  0.916573  0.416376  1
  Si  Si9  1  0.249996  0.917084  0.750295  1
  Si  Si10  1  0.583140  0.249844  0.083222  1
  Si  Si11  1  0.582929  0.250202  0.416981  1
  Si  Si12  1  0.583786  0.249835  0.750194  1
  Si  Si13  1  0.582665  0.583993  0.083427  1
  Si  Si14  1  0.583481  0.583496  0.416956  1
  Si  Si15  1  0.583305  0.583486  0.749940  1
  Si  Si16  1  0.583569  0.916319  0.083061  1
  Si  Si17  1  0.583345  0.916776  0.416722  1
  Si  Si18  1  0.583351  0.916711  0.749812  1
  Si  Si19  1  0.909013  0.253079  0.079385  1
  Si  Si20  1  0.915765  0.250420  0.418419  1
  Si  Si21  1  0.916547  0.250290  0.749963  1
  Si  Si22  1  0.915302  0.585746  0.083654  1
  Si  Si23  1  0.916445  0.582962  0.416246  1
  Si  Si24  1  0.916603  0.584090  0.749752  1
  Si  Si25  1  0.916501  0.916524  0.083544  1
  Si  Si26  1  0.916430  0.917142  0.416530  1
  Si  Si27  1  0.917047  0.916133  0.749450  1
  Si  Si28  1  0.000435  0.998425  0.999537  1
  Si  Si29  1  0.999465  0.000602  0.332790  1
  Si  Si30  1  0.000196  0.999533  0.666123  1
  Si  Si31  1  0.998309  0.335702  0.990535  1
  Si  Si32  1  0.999788  0.333420  0.336418  1
  Si  Si33  1  0.999907  0.333423  0.666556  1
  Si  Si34  1  0.000315  0.666732  0.999982  1
  Si  Si35  1  0.999509  0.667475  0.333874  1
  Si  Si36  1  0.999914  0.667266  0.666516  1
  Si  Si37  1  0.332977  0.000376  0.999536  1
  Si  Si38  1  0.334345  0.999029  0.333055  1
  Si  Si39  1  0.333328  0.999962  0.666575  1
  Si  Si40  1  0.335040  0.332929  0.999450  1
  Si  Si41  1  0.332881  0.333876  0.332860  1
  Si  Si42  1  0.333862  0.333165  0.666089  1
  Si  Si43  1  0.333979  0.666908  0.999727  1
  Si  Si44  1  0.332976  0.666839  0.333399  1
  Si  Si45  1  0.333245  0.666599  0.666670  1
  Si  Si46  1  0.666596  0.999576  0.999679  1
  Si  Si47  1  0.666468  0.000310  0.333410  1
  Si  Si48  1  0.666735  0.000069  0.666677  1
  Si  Si49  1  0.666563  0.333056  0.999975  1
  Si  Si50  1  0.665816  0.333870  0.333930  1
  Si  Si51  1  0.665930  0.333435  0.666421  1
  Si  Si52  1  0.665860  0.667485  0.000238  1
  Si  Si53  1  0.666968  0.666402  0.333539  1
  Si  Si54  1  0.666669  0.666709  0.666616  1
  Si  Si55  1  0.251711  0.081663  0.248545  1
  Si  Si56  1  0.250164  0.083165  0.582906  1
  Si  Si57  1  0.248458  0.084846  0.918050  1
  Si  Si58  1  0.249137  0.419711  0.251137  1
  Si  Si59  1  0.249907  0.416478  0.583334  1
  Si  Si60  1  0.251412  0.415165  0.915436  1
  Si  Si61  1  0.249941  0.750205  0.249782  1
  Si  Si62  1  0.249934  0.750304  0.583640  1
  Si  Si63  1  0.250356  0.749726  0.916257  1
  Si  Si64  1  0.583116  0.083342  0.249776  1
  Si  Si65  1  0.582984  0.083340  0.583672  1
  Si  Si66  1  0.583538  0.082911  0.916206  1
  Si  Si67  1  0.582730  0.417122  0.250342  1
  Si  Si68  1  0.583189  0.416824  0.582656  1
  Si  Si69  1  0.583210  0.416436  0.916582  1
  Si  Si70  1  0.583556  0.749610  0.250103  1
  Si  Si71  1  0.583225  0.750038  0.583170  1
  Si  Si72  1  0.582845  0.750489  0.916441  1
  Si  Si73  1  0.913223  0.083966  0.251067  1
  Si  Si74  1  0.916871  0.083385  0.583288  1
  Si  Si75  1  0.918197  0.081996  0.915460  1
  Si  Si76  1  0.918717  0.414592  0.247753  1
  Si  Si77  1  0.916351  0.416955  0.583707  1
  Si  Si78  1  0.912640  0.420202  0.915301  1
  Si  Si79  1  0.916212  0.750555  0.250310  1
  Si  Si80  1  0.916536  0.750092  0.582738  1
  Si  Si81  1  0.916911  0.750062  0.916590  1
  Si  Si82  1  0.003153  0.158851  0.171114  1
  Si  Si83  1  0.000303  0.166575  0.500024  1
  Si  Si84  1  0.000447  0.165874  0.831698  1
  Si  Si85  1  0.999167  0.503260  0.166482  1
  Si  Si86  1  0.999644  0.500841  0.500909  1
  Si  Si87  1  0.999864  0.500746  0.833246  1
  Si  Si88  1  0.999876  0.833190  0.166723  1
  Si  Si89  1  0.999878  0.833702  0.499828  1
  Si  Si90  1  0.000267  0.832962  0.833031  1
  Si  Si91  1  0.335771  0.165298  0.166366  1
  Si  Si92  1  0.334275  0.166536  0.500452  1
  Si  Si93  1  0.332943  0.166396  0.833780  1
  Si  Si94  1  0.333810  0.500695  0.166835  1
  Si  Si95  1  0.333001  0.500081  0.500108  1
  Si  Si96  1  0.334121  0.499615  0.832729  1
  Si  Si97  1  0.334066  0.832644  0.166480  1
  Si  Si98  1  0.333292  0.833306  0.500010  1
  Si  Si99  1  0.333426  0.833405  0.833104  1
  Si  Si100  1  0.666500  0.166541  0.166478  1
  Si  Si101  1  0.666090  0.166989  0.500594  1
  Si  Si102  1  0.667125  0.166340  0.833496  1
  Si  Si103  1  0.665453  0.501182  0.167247  1
  Si  Si104  1  0.667099  0.500049  0.499823  1
  Si  Si105  1  0.666478  0.500099  0.833553  1
  Si  Si106  1  0.666234  0.833357  0.166894  1
  Si  Si107  1  0.666710  0.833394  0.500069  1
  Si  Si108  1  0.666676  0.833418  0.833278  1
  Si  Si109  1  0.084970  0.247655  0.259490  1
  Si  Si110  1  0.083503  0.249836  0.583501  1
  Si  Si111  1  0.083513  0.249941  0.913626  1
  Si  Si112  1  0.082890  0.584939  0.250483  1
  Si  Si113  1  0.083220  0.583765  0.583895  1
  Si  Si114  1  0.083849  0.582739  0.917244  1
  Si  Si115  1  0.082990  0.916618  0.250018  1
  Si  Si116  1  0.083443  0.916003  0.583472  1
  Si  Si117  1  0.083837  0.915894  0.916132  1
  Si  Si118  1  0.416760  0.250318  0.250030  1
  Si  Si119  1  0.417449  0.249890  0.583558  1
  Si  Si120  1  0.417486  0.249450  0.916081  1
  Si  Si121  1  0.416770  0.583775  0.250332  1
  Si  Si122  1  0.416583  0.583270  0.583412  1
  Si  Si123  1  0.416844  0.583026  0.916515  1
  Si  Si124  1  0.417495  0.915840  0.249699  1
  Si  Si125  1  0.416566  0.916617  0.583279  1
  Si  Si126  1  0.416333  0.916948  0.916460  1
  Si  Si127  1  0.748274  0.250428  0.250570  1
  Si  Si128  1  0.749503  0.250087  0.583930  1
  Si  Si129  1  0.750431  0.249482  0.917182  1
  Si  Si130  1  0.750347  0.582978  0.250455  1
  Si  Si131  1  0.750076  0.583329  0.583543  1
  Si  Si132  1  0.749017  0.584294  0.916877  1
  Si  Si133  1  0.749380  0.916419  0.250282  1
  Si  Si134  1  0.750035  0.916725  0.583407  1
  Si  Si135  1  0.750325  0.916513  0.916504  1
  Si  Si136  1  0.168060  0.997607  0.166365  1
  Si  Si137  1  0.166780  0.999241  0.500287  1
  Si  Si138  1  0.166884  0.000401  0.833784  1
  Si  Si139  1  0.174307  0.330244  0.170644  1
  Si  Si140  1  0.166771  0.333068  0.500053  1
  Si  Si141  1  0.167579  0.332924  0.831614  1
  Si  Si142  1  0.166796  0.666825  0.166477  1
  Si  Si143  1  0.166304  0.667192  0.500549  1
  Si  Si144  1  0.166908  0.666182  0.833489  1
  Si  Si145  1  0.500672  0.999278  0.166448  1
  Si  Si146  1  0.499960  0.999959  0.500069  1
  Si  Si147  1  0.499870  0.999832  0.833081  1
  Si  Si148  1  0.500149  0.333445  0.166730  1
  Si  Si149  1  0.499603  0.333487  0.499791  1
  Si  Si150  1  0.500379  0.333059  0.833000  1
  Si  Si151  1  0.499840  0.666930  0.166898  1
  Si  Si152  1  0.499876  0.666618  0.500048  1
  Si  Si153  1  0.499913  0.666680  0.833266  1
  Si  Si154  1  0.832368  0.999399  0.166725  1
  Si  Si155  1  0.833243  0.000307  0.500083  1
  Si  Si156  1  0.833735  0.999275  0.832752  1
  Si  Si157  1  0.829983  0.334169  0.166598  1
  Si  Si158  1  0.832392  0.333690  0.500951  1
  Si  Si159  1  0.832237  0.333342  0.832957  1
  Si  Si160  1  0.832098  0.667874  0.167206  1
  Si  Si161  1  0.833340  0.666282  0.499789  1
  Si  Si162  1  0.833241  0.666833  0.833551  1
  Si  Si163  1  0.084166  0.080096  0.083538  1
  Si  Si164  1  0.083456  0.082577  0.416810  1
  Si  Si165  1  0.083730  0.082492  0.749123  1
  Si  Si166  1  0.080161  0.424510  0.078855  1
  Si  Si167  1  0.082887  0.417460  0.418316  1
  Si  Si168  1  0.083009  0.416773  0.749996  1
  Si  Si169  1  0.083503  0.750200  0.083214  1
  Si  Si170  1  0.083130  0.750400  0.416942  1
  Si  Si171  1  0.083479  0.749581  0.750151  1
  Si  Si172  1  0.417863  0.082142  0.082716  1
  Si  Si173  1  0.416813  0.083231  0.416396  1
  Si  Si174  1  0.416234  0.083285  0.750269  1
  Si  Si175  1  0.416833  0.416823  0.083554  1
  Si  Si176  1  0.416221  0.416985  0.416527  1
  Si  Si177  1  0.417250  0.416310  0.749410  1
  Si  Si178  1  0.417192  0.749926  0.083086  1
  Si  Si179  1  0.416522  0.749974  0.416653  1
  Si  Si180  1  0.416575  0.749974  0.749822  1
  Si  Si181  1  0.749523  0.082672  0.083204  1
  Si  Si182  1  0.749240  0.083660  0.417271  1
  Si  Si183  1  0.750378  0.083213  0.749959  1
  Si  Si184  1  0.747564  0.418016  0.083653  1
  Si  Si185  1  0.750374  0.416938  0.416244  1
  Si  Si186  1  0.749066  0.416778  0.749558  1
  Si  Si187  1  0.749321  0.750709  0.083404  1
  Si  Si188  1  0.749902  0.749917  0.416924  1
  Si  Si189  1  0.749895  0.750078  0.749930  1
  Si  Si190  1  0.164558  0.168823  0.002323  1
  Si  Si191  1  0.170648  0.163144  0.334735  1
  Si  Si192  1  0.167049  0.166320  0.666341  1
  Si  Si193  1  0.170127  0.499383  0.998948  1
  Si  Si194  1  0.165134  0.501339  0.334555  1
  Si  Si195  1  0.166550  0.499893  0.666735  1
  Si  Si196  1  0.167177  0.832817  0.999633  1
  Si  Si197  1  0.166491  0.833307  0.333344  1
  Si  Si198  1  0.166847  0.833252  0.667292  1
  Si  Si199  1  0.500569  0.166169  0.999610  1
  Si  Si200  1  0.500090  0.166834  0.333353  1
  Si  Si201  1  0.500149  0.166475  0.667376  1
  Si  Si202  1  0.500170  0.499946  0.000116  1
  Si  Si203  1  0.499809  0.500400  0.333799  1
  Si  Si204  1  0.500349  0.499998  0.666394  1
  Si  Si205  1  0.499797  0.833702  0.999850  1
  Si  Si206  1  0.500470  0.832867  0.333525  1
  Si  Si207  1  0.500080  0.833229  0.666598  1
  Si  Si208  1  0.834193  0.163628  0.998875  1
  Si  Si209  1  0.831916  0.168179  0.334593  1
  Si  Si210  1  0.833467  0.166759  0.666689  1
  Si  Si211  1  0.831598  0.501706  0.001486  1
  Si  Si212  1  0.834842  0.498530  0.332001  1
  Si  Si213  1  0.833271  0.500101  0.667159  1
  Si  Si214  1  0.833425  0.833181  0.000094  1
  Si  Si215  1  0.833011  0.833591  0.333737  1
  Si  Si216  1  0.833386  0.833042  0.666401  1
  Ir  Ir217  1  0.041592  0.291773  0.125110  1