# generated using pymatgen
data_TaSi216
_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   TaSi216
_chemical_formula_sum   'Ta1 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
  Ta  Ta1  1  0.084258  0.249050  0.084287  1
  Si  Si2  1  0.251806  0.249188  0.084151  1
  Si  Si3  1  0.249920  0.249590  0.417723  1
  Si  Si4  1  0.250224  0.249795  0.749426  1
  Si  Si5  1  0.250241  0.583907  0.083523  1
  Si  Si6  1  0.250659  0.583349  0.417463  1
  Si  Si7  1  0.250268  0.583016  0.750260  1
  Si  Si8  1  0.249917  0.915586  0.083733  1
  Si  Si9  1  0.250232  0.916268  0.417064  1
  Si  Si10  1  0.250674  0.915852  0.749991  1
  Si  Si11  1  0.583357  0.249776  0.083531  1
  Si  Si12  1  0.583198  0.249709  0.416821  1
  Si  Si13  1  0.583242  0.249661  0.750013  1
  Si  Si14  1  0.583195  0.583278  0.083614  1
  Si  Si15  1  0.583590  0.583154  0.417081  1
  Si  Si16  1  0.583632  0.583086  0.750222  1
  Si  Si17  1  0.583210  0.916517  0.083629  1
  Si  Si18  1  0.583391  0.916316  0.416991  1
  Si  Si19  1  0.583602  0.916237  0.750179  1
  Si  Si20  1  0.910131  0.248808  0.084488  1
  Si  Si21  1  0.916933  0.249831  0.417444  1
  Si  Si22  1  0.916318  0.249660  0.749093  1
  Si  Si23  1  0.916308  0.584211  0.083635  1
  Si  Si24  1  0.916731  0.583257  0.417101  1
  Si  Si25  1  0.916654  0.583032  0.750280  1
  Si  Si26  1  0.916941  0.915871  0.083490  1
  Si  Si27  1  0.916583  0.915468  0.417842  1
  Si  Si28  1  0.916756  0.916183  0.750054  1
  Si  Si29  1  0.999954  0.000147  0.999971  1
  Si  Si30  1  0.002217  0.997935  0.335379  1
  Si  Si31  1  0.000154  0.999298  0.666623  1
  Si  Si32  1  0.997354  0.335956  0.997338  1
  Si  Si33  1  0.999941  0.333361  0.333191  1
  Si  Si34  1  0.000229  0.333063  0.666614  1
  Si  Si35  1  0.000224  0.666698  0.000240  1
  Si  Si36  1  0.000142  0.666683  0.333989  1
  Si  Si37  1  0.000413  0.666311  0.667009  1
  Si  Si38  1  0.335357  0.997923  0.002240  1
  Si  Si39  1  0.334335  0.998974  0.334353  1
  Si  Si40  1  0.333609  0.999696  0.666986  1
  Si  Si41  1  0.333162  0.333340  0.999966  1
  Si  Si42  1  0.335362  0.331087  0.335386  1
  Si  Si43  1  0.333994  0.333164  0.666647  1
  Si  Si44  1  0.333994  0.666682  0.000143  1
  Si  Si45  1  0.333601  0.666344  0.333618  1
  Si  Si46  1  0.333533  0.666318  0.666979  1
  Si  Si47  1  0.666616  0.999285  0.000180  1
  Si  Si48  1  0.666952  0.999686  0.333635  1
  Si  Si49  1  0.666971  0.999755  0.667008  1
  Si  Si50  1  0.666596  0.333048  0.000262  1
  Si  Si51  1  0.666607  0.333127  0.334018  1
  Si  Si52  1  0.667017  0.332862  0.667039  1
  Si  Si53  1  0.666994  0.666268  0.000443  1
  Si  Si54  1  0.666958  0.666330  0.333567  1
  Si  Si55  1  0.666866  0.666428  0.666865  1
  Si  Si56  1  0.251154  0.082132  0.251177  1
  Si  Si57  1  0.250412  0.082895  0.583882  1
  Si  Si58  1  0.255049  0.078221  0.913885  1
  Si  Si59  1  0.255055  0.419441  0.255085  1
  Si  Si60  1  0.250394  0.416372  0.583727  1
  Si  Si61  1  0.250883  0.416925  0.916416  1
  Si  Si62  1  0.250401  0.749451  0.250424  1
  Si  Si63  1  0.250456  0.749593  0.583716  1
  Si  Si64  1  0.250392  0.749559  0.916913  1
  Si  Si65  1  0.583835  0.082887  0.250449  1
  Si  Si66  1  0.583694  0.082821  0.583735  1
  Si  Si67  1  0.583716  0.082876  0.916955  1
  Si  Si68  1  0.583715  0.416353  0.250418  1
  Si  Si69  1  0.583938  0.416499  0.583989  1
  Si  Si70  1  0.583662  0.416445  0.916834  1
  Si  Si71  1  0.583681  0.749582  0.250478  1
  Si  Si72  1  0.583647  0.749652  0.583649  1
  Si  Si73  1  0.583923  0.749351  0.916834  1
  Si  Si74  1  0.913855  0.078239  0.255083  1
  Si  Si75  1  0.916931  0.082889  0.583726  1
  Si  Si76  1  0.916375  0.082397  0.916395  1
  Si  Si77  1  0.916362  0.416912  0.250916  1
  Si  Si78  1  0.916806  0.416473  0.583687  1
  Si  Si79  1  0.914833  0.418459  0.914829  1
  Si  Si80  1  0.916924  0.749565  0.250380  1
  Si  Si81  1  0.916798  0.749375  0.583931  1
  Si  Si82  1  0.916798  0.749619  0.916841  1
  Si  Si83  1  0.991467  0.163569  0.169768  1
  Si  Si84  1  0.000061  0.166543  0.500367  1
  Si  Si85  1  0.998341  0.165252  0.832033  1
  Si  Si86  1  0.998331  0.501288  0.168065  1
  Si  Si87  1  0.999854  0.499979  0.500288  1
  Si  Si88  1  0.001482  0.500437  0.832856  1
  Si  Si89  1  0.000075  0.832927  0.166747  1
  Si  Si90  1  0.000409  0.832674  0.500639  1
  Si  Si91  1  0.999878  0.833009  0.833347  1
  Si  Si92  1  0.333274  0.165642  0.167676  1
  Si  Si93  1  0.333444  0.166155  0.500293  1
  Si  Si94  1  0.334370  0.167812  0.832601  1
  Si  Si95  1  0.334376  0.500720  0.165496  1
  Si  Si96  1  0.333516  0.499623  0.500434  1
  Si  Si97  1  0.334112  0.500169  0.833138  1
  Si  Si98  1  0.333444  0.833033  0.167185  1
  Si  Si99  1  0.333346  0.833030  0.500285  1
  Si  Si100  1  0.333534  0.832861  0.833696  1
  Si  Si101  1  0.666479  0.166558  0.166745  1
  Si  Si102  1  0.666447  0.166822  0.500072  1
  Si  Si103  1  0.666240  0.166231  0.832955  1
  Si  Si104  1  0.666213  0.500356  0.167054  1
  Si  Si105  1  0.666723  0.499882  0.500350  1
  Si  Si106  1  0.666790  0.499789  0.833512  1
  Si  Si107  1  0.666447  0.833254  0.166506  1
  Si  Si108  1  0.666732  0.833212  0.500105  1
  Si  Si109  1  0.666729  0.832963  0.833447  1
  Si  Si110  1  0.084118  0.249190  0.251807  1
  Si  Si111  1  0.083502  0.249800  0.583372  1
  Si  Si112  1  0.084491  0.248820  0.910127  1
  Si  Si113  1  0.083523  0.583924  0.250213  1
  Si  Si114  1  0.083590  0.583347  0.583193  1
  Si  Si115  1  0.083609  0.584210  0.916323  1
  Si  Si116  1  0.083703  0.915598  0.249915  1
  Si  Si117  1  0.083605  0.916527  0.583224  1
  Si  Si118  1  0.083462  0.915892  0.916941  1
  Si  Si119  1  0.417695  0.249571  0.249957  1
  Si  Si120  1  0.416786  0.249701  0.583279  1
  Si  Si121  1  0.417414  0.249807  0.916965  1
  Si  Si122  1  0.417445  0.583316  0.250692  1
  Si  Si123  1  0.417062  0.583153  0.583620  1
  Si  Si124  1  0.417097  0.583254  0.916741  1
  Si  Si125  1  0.417030  0.916253  0.250252  1
  Si  Si126  1  0.416966  0.916311  0.583429  1
  Si  Si127  1  0.417825  0.915431  0.916636  1
  Si  Si128  1  0.749391  0.249753  0.250247  1
  Si  Si129  1  0.749984  0.249671  0.583247  1
  Si  Si130  1  0.749084  0.249654  0.916354  1
  Si  Si131  1  0.750232  0.583023  0.250295  1
  Si  Si132  1  0.750212  0.583088  0.583631  1
  Si  Si133  1  0.750264  0.583001  0.916672  1
  Si  Si134  1  0.749960  0.915834  0.250701  1
  Si  Si135  1  0.750134  0.916232  0.583635  1
  Si  Si136  1  0.750043  0.916186  0.916772  1
  Si  Si137  1  0.167649  0.000022  0.167658  1
  Si  Si138  1  0.167158  0.999878  0.500267  1
  Si  Si139  1  0.165466  0.998926  0.832569  1
  Si  Si140  1  0.169733  0.341846  0.169748  1
  Si  Si141  1  0.166748  0.333247  0.500355  1
  Si  Si142  1  0.168035  0.334979  0.832019  1
  Si  Si143  1  0.166730  0.666826  0.166706  1
  Si  Si144  1  0.166461  0.666866  0.500020  1
  Si  Si145  1  0.167031  0.667048  0.832918  1
  Si  Si146  1  0.500243  0.999853  0.167189  1
  Si  Si147  1  0.500263  0.999926  0.500291  1
  Si  Si148  1  0.500405  0.999747  0.833727  1
  Si  Si149  1  0.500343  0.333222  0.166783  1
  Si  Si150  1  0.500632  0.332906  0.500690  1
  Si  Si151  1  0.500278  0.333387  0.833339  1
  Si  Si152  1  0.500032  0.666805  0.166489  1
  Si  Si153  1  0.500081  0.666575  0.500101  1
  Si  Si154  1  0.500327  0.666567  0.833420  1
  Si  Si155  1  0.832573  0.998899  0.165511  1
  Si  Si156  1  0.833672  0.999764  0.500440  1
  Si  Si157  1  0.833137  0.999147  0.833139  1
  Si  Si158  1  0.832012  0.334927  0.168056  1
  Si  Si159  1  0.833311  0.333412  0.500297  1
  Si  Si160  1  0.832863  0.331788  0.832883  1
  Si  Si161  1  0.832895  0.667049  0.167050  1
  Si  Si162  1  0.833419  0.666566  0.500332  1
  Si  Si163  1  0.833475  0.666480  0.833506  1
  Si  Si164  1  0.084123  0.081515  0.084139  1
  Si  Si165  1  0.083710  0.083389  0.417707  1
  Si  Si166  1  0.083511  0.083083  0.749399  1
  Si  Si167  1  0.084475  0.423184  0.084507  1
  Si  Si168  1  0.083460  0.416385  0.417425  1
  Si  Si169  1  0.083632  0.416997  0.749069  1
  Si  Si170  1  0.083532  0.749935  0.083475  1
  Si  Si171  1  0.083592  0.750106  0.416754  1
  Si  Si172  1  0.083618  0.750081  0.749990  1
  Si  Si173  1  0.417695  0.083374  0.083731  1
  Si  Si174  1  0.417034  0.083068  0.417088  1
  Si  Si175  1  0.417446  0.082623  0.750010  1
  Si  Si176  1  0.417417  0.416348  0.083496  1
  Si  Si177  1  0.417829  0.416699  0.417867  1
  Si  Si178  1  0.417110  0.416552  0.750079  1
  Si  Si179  1  0.416764  0.750048  0.083630  1
  Si  Si180  1  0.416957  0.749899  0.416998  1
  Si  Si181  1  0.417058  0.749686  0.750141  1
  Si  Si182  1  0.749397  0.083045  0.083551  1
  Si  Si183  1  0.749949  0.082632  0.417478  1
  Si  Si184  1  0.750281  0.083007  0.750290  1
  Si  Si185  1  0.749082  0.416967  0.083647  1
  Si  Si186  1  0.750018  0.416545  0.417126  1
  Si  Si187  1  0.750278  0.416634  0.750306  1
  Si  Si188  1  0.749958  0.750066  0.083639  1
  Si  Si189  1  0.750139  0.749697  0.417075  1
  Si  Si190  1  0.750197  0.749667  0.750219  1
  Si  Si191  1  0.169761  0.163579  0.991475  1
  Si  Si192  1  0.167654  0.165655  0.333281  1
  Si  Si193  1  0.166717  0.166605  0.666502  1
  Si  Si194  1  0.168021  0.501300  0.998371  1
  Si  Si195  1  0.165473  0.500756  0.334381  1
  Si  Si196  1  0.167023  0.500397  0.666192  1
  Si  Si197  1  0.166767  0.832959  0.000037  1
  Si  Si198  1  0.167162  0.833076  0.333444  1
  Si  Si199  1  0.166482  0.833272  0.666480  1
  Si  Si200  1  0.500352  0.166529  0.000080  1
  Si  Si201  1  0.500241  0.166138  0.333496  1
  Si  Si202  1  0.500045  0.166810  0.666508  1
  Si  Si203  1  0.500257  0.499950  0.999874  1
  Si  Si204  1  0.500421  0.499597  0.333550  1
  Si  Si205  1  0.500319  0.499886  0.666766  1
  Si  Si206  1  0.500633  0.832638  0.000454  1
  Si  Si207  1  0.500255  0.833024  0.333376  1
  Si  Si208  1  0.500099  0.833206  0.666747  1
  Si  Si209  1  0.832007  0.165239  0.998378  1
  Si  Si210  1  0.832564  0.167813  0.334409  1
  Si  Si211  1  0.832933  0.166241  0.666242  1
  Si  Si212  1  0.832864  0.500419  0.001501  1
  Si  Si213  1  0.833098  0.500166  0.334151  1
  Si  Si214  1  0.833489  0.499804  0.666828  1
  Si  Si215  1  0.833316  0.833008  0.999910  1
  Si  Si216  1  0.833698  0.832857  0.333536  1
  Si  Si217  1  0.833417  0.832967  0.666753  1