# 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  0.083030  0.250260  0.083291  1
  Si  Si2  1  0.254797  0.250007  0.083523  1
  Si  Si3  1  0.249955  0.249888  0.417286  1
  Si  Si4  1  0.249623  0.250640  0.749833  1
  Si  Si5  1  0.249594  0.583801  0.083001  1
  Si  Si6  1  0.249779  0.583844  0.416985  1
  Si  Si7  1  0.249749  0.583577  0.750188  1
  Si  Si8  1  0.249956  0.916357  0.083837  1
  Si  Si9  1  0.249708  0.916725  0.416993  1
  Si  Si10  1  0.249734  0.916655  0.749762  1
  Si  Si11  1  0.583310  0.250238  0.083534  1
  Si  Si12  1  0.583383  0.250285  0.417005  1
  Si  Si13  1  0.583381  0.250301  0.750259  1
  Si  Si14  1  0.583374  0.583535  0.083597  1
  Si  Si15  1  0.583071  0.583612  0.416845  1
  Si  Si16  1  0.583015  0.583611  0.750220  1
  Si  Si17  1  0.583337  0.916758  0.083601  1
  Si  Si18  1  0.583133  0.916973  0.416874  1
  Si  Si19  1  0.583130  0.916993  0.750239  1
  Si  Si20  1  0.915069  0.251253  0.082351  1
  Si  Si21  1  0.916517  0.250540  0.417382  1
  Si  Si22  1  0.916885  0.249804  0.749954  1
  Si  Si23  1  0.916797  0.583673  0.083884  1
  Si  Si24  1  0.916459  0.583539  0.416905  1
  Si  Si25  1  0.916441  0.584190  0.749500  1
  Si  Si26  1  0.916517  0.916220  0.083142  1
  Si  Si27  1  0.916466  0.917031  0.416697  1
  Si  Si28  1  0.916484  0.916855  0.750237  1
  Si  Si29  1  0.998901  0.999536  0.999247  1
  Si  Si30  1  0.000827  0.999967  0.333688  1
  Si  Si31  1  0.999582  0.000207  0.666684  1
  Si  Si32  1  0.994426  0.338927  0.994665  1
  Si  Si33  1  0.998940  0.334384  0.334064  1
  Si  Si34  1  0.999890  0.333447  0.666896  1
  Si  Si35  1  0.999901  0.666679  0.000285  1
  Si  Si36  1  0.999602  0.666980  0.333513  1
  Si  Si37  1  0.000002  0.667304  0.666417  1
  Si  Si38  1  0.333360  0.999987  0.001160  1
  Si  Si39  1  0.333304  0.999963  0.333793  1
  Si  Si40  1  0.332955  0.000419  0.666733  1
  Si  Si41  1  0.333771  0.334376  0.999261  1
  Si  Si42  1  0.333356  0.332581  0.333700  1
  Si  Si43  1  0.333096  0.333747  0.666675  1
  Si  Si44  1  0.333085  0.667056  0.000032  1
  Si  Si45  1  0.332980  0.666973  0.333332  1
  Si  Si46  1  0.332949  0.666933  0.666886  1
  Si  Si47  1  0.666276  0.000204  0.000052  1
  Si  Si48  1  0.666365  0.000386  0.333330  1
  Si  Si49  1  0.666417  0.000408  0.666829  1
  Si  Si50  1  0.666620  0.333486  0.000255  1
  Si  Si51  1  0.666336  0.333711  0.333481  1
  Si  Si52  1  0.666052  0.333405  0.666397  1
  Si  Si53  1  0.666068  0.667267  0.000390  1
  Si  Si54  1  0.666424  0.666955  0.333444  1
  Si  Si55  1  0.666431  0.666923  0.666932  1
  Si  Si56  1  0.250318  0.082995  0.250654  1
  Si  Si57  1  0.249687  0.083657  0.583575  1
  Si  Si58  1  0.251994  0.081345  0.913469  1
  Si  Si59  1  0.251937  0.420079  0.252205  1
  Si  Si60  1  0.249708  0.416970  0.583297  1
  Si  Si61  1  0.250232  0.417076  0.916566  1
  Si  Si62  1  0.249621  0.750045  0.250096  1
  Si  Si63  1  0.249708  0.750211  0.583508  1
  Si  Si64  1  0.249709  0.750423  0.916794  1
  Si  Si65  1  0.583210  0.083695  0.250110  1
  Si  Si66  1  0.583117  0.083662  0.583471  1
  Si  Si67  1  0.582965  0.083642  0.916814  1
  Si  Si68  1  0.582960  0.416947  0.250111  1
  Si  Si69  1  0.582767  0.416989  0.583194  1
  Si  Si70  1  0.583375  0.416937  0.916889  1
  Si  Si71  1  0.583061  0.750249  0.250213  1
  Si  Si72  1  0.583052  0.750335  0.583547  1
  Si  Si73  1  0.582774  0.750519  0.916861  1
  Si  Si74  1  0.913223  0.081344  0.252242  1
  Si  Si75  1  0.916407  0.083645  0.583302  1
  Si  Si76  1  0.916155  0.083035  0.916552  1
  Si  Si77  1  0.916171  0.417088  0.250619  1
  Si  Si78  1  0.916473  0.416892  0.583684  1
  Si  Si79  1  0.912389  0.420929  0.912677  1
  Si  Si80  1  0.916394  0.750369  0.250131  1
  Si  Si81  1  0.916382  0.750540  0.583196  1
  Si  Si82  1  0.916458  0.749924  0.916930  1
  Si  Si83  1  0.998408  0.161767  0.171786  1
  Si  Si84  1  0.999988  0.166915  0.500157  1
  Si  Si85  1  0.999481  0.166326  0.834030  1
  Si  Si86  1  0.999457  0.499587  0.167293  1
  Si  Si87  1  0.999783  0.500390  0.500507  1
  Si  Si88  1  0.001084  0.501353  0.832257  1
  Si  Si89  1  0.999958  0.833467  0.166810  1
  Si  Si90  1  0.000011  0.833691  0.499988  1
  Si  Si91  1  0.999709  0.833150  0.833398  1
  Si  Si92  1  0.333923  0.165791  0.167915  1
  Si  Si93  1  0.333457  0.166912  0.500600  1
  Si  Si94  1  0.334085  0.168265  0.832551  1
  Si  Si95  1  0.334033  0.501052  0.165368  1
  Si  Si96  1  0.332999  0.500199  0.500102  1
  Si  Si97  1  0.333253  0.500347  0.833413  1
  Si  Si98  1  0.333397  0.833114  0.166942  1
  Si  Si99  1  0.333052  0.833530  0.500260  1
  Si  Si100  1  0.332958  0.833692  0.833592  1
  Si  Si101  1  0.666628  0.166951  0.166742  1
  Si  Si102  1  0.666552  0.167090  0.500405  1
  Si  Si103  1  0.666506  0.166868  0.833579  1
  Si  Si104  1  0.666536  0.500171  0.166925  1
  Si  Si105  1  0.666432  0.500169  0.500142  1
  Si  Si106  1  0.666444  0.500155  0.833564  1
  Si  Si107  1  0.666478  0.833247  0.166695  1
  Si  Si108  1  0.666511  0.833649  0.500225  1
  Si  Si109  1  0.666424  0.833619  0.833683  1
  Si  Si110  1  0.083221  0.250059  0.255057  1
  Si  Si111  1  0.083159  0.250210  0.583612  1
  Si  Si112  1  0.082049  0.251172  0.915342  1
  Si  Si113  1  0.082623  0.583790  0.249966  1
  Si  Si114  1  0.083142  0.583497  0.583731  1
  Si  Si115  1  0.083483  0.583675  0.917173  1
  Si  Si116  1  0.083498  0.916316  0.250325  1
  Si  Si117  1  0.083046  0.916721  0.583760  1
  Si  Si118  1  0.082795  0.916270  0.916846  1
  Si  Si119  1  0.416979  0.249880  0.250355  1
  Si  Si120  1  0.416598  0.250310  0.583737  1
  Si  Si121  1  0.417076  0.250532  0.916838  1
  Si  Si122  1  0.416647  0.583864  0.250115  1
  Si  Si123  1  0.416361  0.583589  0.583576  1
  Si  Si124  1  0.416443  0.583533  0.916978  1
  Si  Si125  1  0.416507  0.916766  0.250240  1
  Si  Si126  1  0.416424  0.916943  0.583568  1
  Si  Si127  1  0.416367  0.917021  0.916862  1
  Si  Si128  1  0.749530  0.250667  0.249949  1
  Si  Si129  1  0.749851  0.250223  0.583738  1
  Si  Si130  1  0.749661  0.249892  0.917183  1
  Si  Si131  1  0.749740  0.583587  0.250271  1
  Si  Si132  1  0.749727  0.583641  0.583513  1
  Si  Si133  1  0.749165  0.584198  0.916755  1
  Si  Si134  1  0.749449  0.916668  0.250124  1
  Si  Si135  1  0.749816  0.917014  0.583549  1
  Si  Si136  1  0.749769  0.916810  0.916993  1
  Si  Si137  1  0.167528  0.999412  0.167878  1
  Si  Si138  1  0.166451  0.999844  0.500622  1
  Si  Si139  1  0.165055  0.999273  0.832563  1
  Si  Si140  1  0.171488  0.334910  0.171740  1
  Si  Si141  1  0.166428  0.333397  0.500146  1
  Si  Si142  1  0.166924  0.333747  0.834053  1
  Si  Si143  1  0.166360  0.666646  0.166737  1
  Si  Si144  1  0.166298  0.666780  0.500408  1
  Si  Si145  1  0.166498  0.666857  0.833578  1
  Si  Si146  1  0.500178  0.999876  0.166951  1
  Si  Si147  1  0.499785  0.000324  0.500225  1
  Si  Si148  1  0.499726  0.000398  0.833585  1
  Si  Si149  1  0.499840  0.333385  0.166801  1
  Si  Si150  1  0.499609  0.333374  0.499970  1
  Si  Si151  1  0.500175  0.333644  0.833369  1
  Si  Si152  1  0.500044  0.666853  0.166688  1
  Si  Si153  1  0.499736  0.666870  0.500232  1
  Si  Si154  1  0.499663  0.666889  0.833694  1
  Si  Si155  1  0.832253  0.999270  0.165374  1
  Si  Si156  1  0.833207  0.000368  0.500074  1
  Si  Si157  1  0.832914  0.000005  0.833392  1
  Si  Si158  1  0.833727  0.333803  0.167238  1
  Si  Si159  1  0.832964  0.333576  0.500519  1
  Si  Si160  1  0.831960  0.332273  0.832227  1
  Si  Si161  1  0.833168  0.666794  0.166944  1
  Si  Si162  1  0.833190  0.666909  0.500118  1
  Si  Si163  1  0.833234  0.666901  0.833566  1
  Si  Si164  1  0.083267  0.078509  0.083500  1
  Si  Si165  1  0.083495  0.083372  0.417301  1
  Si  Si166  1  0.082669  0.083698  0.749824  1
  Si  Si167  1  0.082022  0.418301  0.082367  1
  Si  Si168  1  0.082797  0.416838  0.417353  1
  Si  Si169  1  0.083533  0.416425  0.749971  1
  Si  Si170  1  0.083124  0.750016  0.083551  1
  Si  Si171  1  0.083071  0.749909  0.417014  1
  Si  Si172  1  0.083084  0.749996  0.750279  1
  Si  Si173  1  0.416983  0.083377  0.083853  1
  Si  Si174  1  0.416514  0.083612  0.416965  1
  Si  Si175  1  0.416749  0.083620  0.749760  1
  Si  Si176  1  0.417086  0.416810  0.083120  1
  Si  Si177  1  0.416311  0.416959  0.416687  1
  Si  Si178  1  0.416443  0.416853  0.750220  1
  Si  Si179  1  0.416524  0.749981  0.083584  1
  Si  Si180  1  0.416396  0.750215  0.416878  1
  Si  Si181  1  0.416352  0.750257  0.750266  1
  Si  Si182  1  0.749501  0.083724  0.083019  1
  Si  Si183  1  0.749500  0.083589  0.417001  1
  Si  Si184  1  0.749746  0.083580  0.750177  1
  Si  Si185  1  0.749660  0.416538  0.083867  1
  Si  Si186  1  0.749745  0.416846  0.416921  1
  Si  Si187  1  0.749157  0.416970  0.749481  1
  Si  Si188  1  0.749814  0.749940  0.083602  1
  Si  Si189  1  0.749777  0.750320  0.416835  1
  Si  Si190  1  0.749761  0.750318  0.750216  1
  Si  Si191  1  0.171543  0.161766  0.998666  1
  Si  Si192  1  0.167552  0.165794  0.334214  1
  Si  Si193  1  0.166375  0.166949  0.666948  1
  Si  Si194  1  0.166914  0.499621  0.999831  1
  Si  Si195  1  0.165079  0.501049  0.334311  1
  Si  Si196  1  0.166508  0.500146  0.666874  1
  Si  Si197  1  0.166389  0.833497  0.000352  1
  Si  Si198  1  0.166452  0.833046  0.333881  1
  Si  Si199  1  0.166209  0.833243  0.666875  1
  Si  Si200  1  0.499848  0.166941  0.000354  1
  Si  Si201  1  0.500223  0.166888  0.333900  1
  Si  Si202  1  0.500119  0.167180  0.666857  1
  Si  Si203  1  0.500199  0.500416  0.000185  1
  Si  Si204  1  0.499734  0.500197  0.333358  1
  Si  Si205  1  0.499696  0.500133  0.666884  1
  Si  Si206  1  0.499596  0.833715  0.000513  1
  Si  Si207  1  0.499805  0.833543  0.333535  1
  Si  Si208  1  0.499735  0.833623  0.666995  1
  Si  Si209  1  0.833683  0.166408  0.999838  1
  Si  Si210  1  0.832299  0.168268  0.334332  1
  Si  Si211  1  0.833181  0.166817  0.666866  1
  Si  Si212  1  0.831959  0.501385  0.001382  1
  Si  Si213  1  0.832973  0.500310  0.333701  1
  Si  Si214  1  0.833223  0.500169  0.666778  1
  Si  Si215  1  0.832944  0.833098  0.000190  1
  Si  Si216  1  0.833191  0.833650  0.333363  1
  Si  Si217  1  0.833230  0.833630  0.666862  1
