# generated using pymatgen
data_ZrSi216
_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   ZrSi216
_chemical_formula_sum   'Zr1 Si216'
_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
  Zr  Zr1  1  0.082789  0.250567  0.083886  1
  Si  Si2  1  0.257196  0.250661  0.084061  1
  Si  Si3  1  0.250176  0.250276  0.418035  1
  Si  Si4  1  0.250340  0.250141  0.748844  1
  Si  Si5  1  0.250092  0.584654  0.083608  1
  Si  Si6  1  0.250303  0.584538  0.417816  1
  Si  Si7  1  0.249942  0.583734  0.750025  1
  Si  Si8  1  0.250459  0.915411  0.083421  1
  Si  Si9  1  0.249949  0.916691  0.417091  1
  Si  Si10  1  0.250226  0.916325  0.749636  1
  Si  Si11  1  0.583208  0.250178  0.083518  1
  Si  Si12  1  0.583349  0.250214  0.417090  1
  Si  Si13  1  0.583252  0.250306  0.749895  1
  Si  Si14  1  0.583324  0.583717  0.083554  1
  Si  Si15  1  0.583234  0.583724  0.417002  1
  Si  Si16  1  0.582985  0.583757  0.750037  1
  Si  Si17  1  0.583279  0.916498  0.083624  1
  Si  Si18  1  0.583045  0.916738  0.417075  1
  Si  Si19  1  0.583104  0.916806  0.750101  1
  Si  Si20  1  0.911359  0.250456  0.083630  1
  Si  Si21  1  0.916272  0.250155  0.418118  1
  Si  Si22  1  0.916071  0.250306  0.748951  1
  Si  Si23  1  0.916256  0.584754  0.083441  1
  Si  Si24  1  0.916346  0.583698  0.417038  1
  Si  Si25  1  0.915864  0.584474  0.749363  1
  Si  Si26  1  0.916034  0.915537  0.083613  1
  Si  Si27  1  0.915928  0.916175  0.417661  1
  Si  Si28  1  0.916258  0.916811  0.750149  1
  Si  Si29  1  0.998379  0.998013  0.998544  1
  Si  Si30  1  0.001165  0.998598  0.335065  1
  Si  Si31  1  0.999481  0.999557  0.666347  1
  Si  Si32  1  0.994130  0.338974  0.991971  1
  Si  Si33  1  0.998636  0.334723  0.334804  1
  Si  Si34  1  0.999794  0.333540  0.666357  1
  Si  Si35  1  0.999761  0.667318  0.000064  1
  Si  Si36  1  0.999466  0.667135  0.333857  1
  Si  Si37  1  0.000049  0.667092  0.666322  1
  Si  Si38  1  0.334532  0.998799  0.001471  1
  Si  Si39  1  0.333588  0.999749  0.334117  1
  Si  Si40  1  0.333265  0.000071  0.666715  1
  Si  Si41  1  0.335170  0.334918  0.998604  1
  Si  Si42  1  0.334789  0.332186  0.335118  1
  Si  Si43  1  0.333743  0.333852  0.666362  1
  Si  Si44  1  0.333593  0.667179  0.999885  1
  Si  Si45  1  0.333207  0.667167  0.333624  1
  Si  Si46  1  0.333245  0.666995  0.666792  1
  Si  Si47  1  0.666092  0.999690  0.999884  1
  Si  Si48  1  0.666216  0.000133  0.333618  1
  Si  Si49  1  0.666353  0.000083  0.666788  1
  Si  Si50  1  0.666016  0.333564  0.000067  1
  Si  Si51  1  0.666172  0.333863  0.333877  1
  Si  Si52  1  0.666233  0.333272  0.666357  1
  Si  Si53  1  0.665979  0.667321  0.000364  1
  Si  Si54  1  0.666397  0.666963  0.333540  1
  Si  Si55  1  0.666478  0.666851  0.666799  1
  Si  Si56  1  0.250345  0.082975  0.250718  1
  Si  Si57  1  0.250051  0.083312  0.583556  1
  Si  Si58  1  0.254142  0.079249  0.912469  1
  Si  Si59  1  0.254877  0.422616  0.255871  1
  Si  Si60  1  0.249971  0.417155  0.583634  1
  Si  Si61  1  0.250334  0.417397  0.916379  1
  Si  Si62  1  0.249964  0.750347  0.250466  1
  Si  Si63  1  0.250013  0.750407  0.583705  1
  Si  Si64  1  0.250014  0.750193  0.916604  1
  Si  Si65  1  0.583002  0.083368  0.250470  1
  Si  Si66  1  0.582962  0.083331  0.583693  1
  Si  Si67  1  0.583138  0.083334  0.916602  1
  Si  Si68  1  0.583077  0.417138  0.250435  1
  Si  Si69  1  0.583009  0.417216  0.583552  1
  Si  Si70  1  0.583023  0.417160  0.916694  1
  Si  Si71  1  0.583081  0.750317  0.250511  1
  Si  Si72  1  0.583080  0.750259  0.583585  1
  Si  Si73  1  0.582919  0.750438  0.916625  1
  Si  Si74  1  0.910838  0.078593  0.255789  1
  Si  Si75  1  0.916187  0.083367  0.583646  1
  Si  Si76  1  0.915957  0.082985  0.916382  1
  Si  Si77  1  0.915872  0.417496  0.250822  1
  Si  Si78  1  0.916231  0.417131  0.583596  1
  Si  Si79  1  0.910734  0.422652  0.911700  1
  Si  Si80  1  0.916203  0.750259  0.250442  1
  Si  Si81  1  0.916132  0.750357  0.583529  1
  Si  Si82  1  0.916182  0.750337  0.916698  1
  Si  Si83  1  0.994572  0.158600  0.172278  1
  Si  Si84  1  0.999789  0.166724  0.500646  1
  Si  Si85  1  0.998428  0.165264  0.831552  1
  Si  Si86  1  0.998653  0.501394  0.167962  1
  Si  Si87  1  0.999498  0.500560  0.500507  1
  Si  Si88  1  0.001133  0.501879  0.831787  1
  Si  Si89  1  0.999787  0.832991  0.166880  1
  Si  Si90  1  0.000093  0.833129  0.500309  1
  Si  Si91  1  0.999498  0.832972  0.832852  1
  Si  Si92  1  0.335247  0.165204  0.168258  1
  Si  Si93  1  0.333676  0.166569  0.500586  1
  Si  Si94  1  0.334583  0.168231  0.832085  1
  Si  Si95  1  0.334825  0.501826  0.165466  1
  Si  Si96  1  0.333207  0.500324  0.500428  1
  Si  Si97  1  0.333571  0.500780  0.833107  1
  Si  Si98  1  0.333862  0.832938  0.167160  1
  Si  Si99  1  0.333285  0.833477  0.500307  1
  Si  Si100  1  0.333236  0.833414  0.833418  1
  Si  Si101  1  0.666029  0.166729  0.166892  1
  Si  Si102  1  0.666098  0.167044  0.500617  1
  Si  Si103  1  0.666157  0.166596  0.833024  1
  Si  Si104  1  0.666194  0.500554  0.167174  1
  Si  Si105  1  0.666388  0.500235  0.500230  1
  Si  Si106  1  0.666176  0.500339  0.833424  1
  Si  Si107  1  0.666356  0.833080  0.166601  1
  Si  Si108  1  0.666483  0.833477  0.500180  1
  Si  Si109  1  0.666358  0.833506  0.833394  1
  Si  Si110  1  0.083025  0.250373  0.255480  1
  Si  Si111  1  0.083157  0.250173  0.583477  1
  Si  Si112  1  0.082597  0.250726  0.909656  1
  Si  Si113  1  0.083179  0.584755  0.250366  1
  Si  Si114  1  0.083128  0.583710  0.583389  1
  Si  Si115  1  0.083017  0.584634  0.916568  1
  Si  Si116  1  0.083052  0.915522  0.250655  1
  Si  Si117  1  0.083050  0.916505  0.583476  1
  Si  Si118  1  0.083232  0.915434  0.916249  1
  Si  Si119  1  0.417766  0.250280  0.250625  1
  Si  Si120  1  0.416789  0.250292  0.583485  1
  Si  Si121  1  0.417848  0.250127  0.916311  1
  Si  Si122  1  0.417220  0.584416  0.250760  1
  Si  Si123  1  0.416585  0.583757  0.583631  1
  Si  Si124  1  0.416641  0.583736  0.916731  1
  Si  Si125  1  0.416547  0.916786  0.250413  1
  Si  Si126  1  0.416579  0.916761  0.583572  1
  Si  Si127  1  0.417013  0.916330  0.916437  1
  Si  Si128  1  0.748563  0.250169  0.250381  1
  Si  Si129  1  0.749615  0.250214  0.583383  1
  Si  Si130  1  0.748683  0.250318  0.916533  1
  Si  Si131  1  0.749632  0.583700  0.250331  1
  Si  Si132  1  0.749619  0.583725  0.583381  1
  Si  Si133  1  0.748776  0.584585  0.916308  1
  Si  Si134  1  0.748983  0.916167  0.250733  1
  Si  Si135  1  0.749586  0.916765  0.583607  1
  Si  Si136  1  0.749596  0.916701  0.916729  1
  Si  Si137  1  0.168179  0.997967  0.168315  1
  Si  Si138  1  0.166780  0.999656  0.500613  1
  Si  Si139  1  0.165146  0.998777  0.832108  1
  Si  Si140  1  0.174708  0.338772  0.172554  1
  Si  Si141  1  0.166604  0.333546  0.500649  1
  Si  Si142  1  0.168057  0.334921  0.831583  1
  Si  Si143  1  0.166602  0.667310  0.166898  1
  Si  Si144  1  0.166290  0.667257  0.500658  1
  Si  Si145  1  0.166747  0.667142  0.833063  1
  Si  Si146  1  0.500357  0.999508  0.167167  1
  Si  Si147  1  0.499878  0.000055  0.500318  1
  Si  Si148  1  0.499940  0.000099  0.833410  1
  Si  Si149  1  0.500327  0.333539  0.166884  1
  Si  Si150  1  0.500226  0.333238  0.500367  1
  Si  Si151  1  0.500323  0.333847  0.832905  1
  Si  Si152  1  0.500310  0.667021  0.166619  1
  Si  Si153  1  0.499861  0.666853  0.500182  1
  Si  Si154  1  0.499846  0.666990  0.833403  1
  Si  Si155  1  0.831578  0.998572  0.165480  1
  Si  Si156  1  0.833030  0.000145  0.500419  1
  Si  Si157  1  0.832565  0.999768  0.833110  1
  Si  Si158  1  0.831906  0.334741  0.168018  1
  Si  Si159  1  0.832788  0.333850  0.500520  1
  Si  Si160  1  0.831482  0.332235  0.831812  1
  Si  Si161  1  0.832799  0.667124  0.167187  1
  Si  Si162  1  0.833100  0.666966  0.500235  1
  Si  Si163  1  0.833008  0.667192  0.833426  1
  Si  Si164  1  0.082707  0.075866  0.084026  1
  Si  Si165  1  0.083074  0.083143  0.418049  1
  Si  Si166  1  0.083203  0.082960  0.748834  1
  Si  Si167  1  0.082911  0.421757  0.083672  1
  Si  Si168  1  0.083202  0.417078  0.418117  1
  Si  Si169  1  0.083037  0.417259  0.748942  1
  Si  Si170  1  0.083147  0.750105  0.083518  1
  Si  Si171  1  0.083112  0.749943  0.417086  1
  Si  Si172  1  0.083028  0.750000  0.749887  1
  Si  Si173  1  0.417879  0.082902  0.083427  1
  Si  Si174  1  0.416656  0.083379  0.417095  1
  Si  Si175  1  0.417025  0.083113  0.749632  1
  Si  Si176  1  0.417763  0.417256  0.083613  1
  Si  Si177  1  0.417227  0.417427  0.417706  1
  Si  Si178  1  0.416508  0.417071  0.750155  1
  Si  Si179  1  0.416816  0.749979  0.083620  1
  Si  Si180  1  0.416617  0.750312  0.417078  1
  Si  Si181  1  0.416528  0.750233  0.750122  1
  Si  Si182  1  0.748644  0.083186  0.083599  1
  Si  Si183  1  0.748862  0.083065  0.417777  1
  Si  Si184  1  0.749600  0.083384  0.750028  1
  Si  Si185  1  0.748571  0.417096  0.083440  1
  Si  Si186  1  0.749651  0.416987  0.417029  1
  Si  Si187  1  0.748883  0.417467  0.749364  1
  Si  Si188  1  0.749592  0.749958  0.083555  1
  Si  Si189  1  0.749633  0.750132  0.416999  1
  Si  Si190  1  0.749575  0.750354  0.750028  1
  Si  Si191  1  0.171820  0.161245  0.995060  1
  Si  Si192  1  0.167556  0.165771  0.334867  1
  Si  Si193  1  0.166550  0.166777  0.666383  1
  Si  Si194  1  0.167443  0.501381  0.999213  1
  Si  Si195  1  0.164832  0.502147  0.335461  1
  Si  Si196  1  0.166679  0.500797  0.666438  1
  Si  Si197  1  0.166553  0.832992  0.000109  1
  Si  Si198  1  0.166670  0.833027  0.334232  1
  Si  Si199  1  0.166226  0.833322  0.666742  1
  Si  Si200  1  0.500313  0.166781  0.000114  1
  Si  Si201  1  0.500277  0.166659  0.334196  1
  Si  Si202  1  0.500000  0.167101  0.666712  1
  Si  Si203  1  0.500262  0.500830  0.999997  1
  Si  Si204  1  0.499935  0.500351  0.333652  1
  Si  Si205  1  0.499744  0.500309  0.666874  1
  Si  Si206  1  0.499935  0.833360  0.000456  1
  Si  Si207  1  0.499803  0.833559  0.333653  1
  Si  Si208  1  0.499813  0.833519  0.666877  1
  Si  Si209  1  0.831872  0.165831  0.999167  1
  Si  Si210  1  0.831240  0.168541  0.335421  1
  Si  Si211  1  0.832530  0.166661  0.666441  1
  Si  Si212  1  0.831162  0.502180  0.001755  1
  Si  Si213  1  0.832548  0.500798  0.334130  1
  Si  Si214  1  0.832978  0.500366  0.666678  1
  Si  Si215  1  0.832457  0.833039  0.000006  1
  Si  Si216  1  0.833003  0.833429  0.333645  1
  Si  Si217  1  0.833018  0.833594  0.666858  1
