# 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  0.083353  0.249966  0.083302  1
  Si  Si2  1  0.254124  0.249955  0.083328  1
  Si  Si3  1  0.250075  0.249865  0.417440  1
  Si  Si4  1  0.250118  0.250047  0.749120  1
  Si  Si5  1  0.250045  0.584158  0.083175  1
  Si  Si6  1  0.250318  0.583757  0.417079  1
  Si  Si7  1  0.250214  0.583392  0.749860  1
  Si  Si8  1  0.250008  0.915860  0.083404  1
  Si  Si9  1  0.250017  0.916443  0.416847  1
  Si  Si10  1  0.250320  0.916093  0.749473  1
  Si  Si11  1  0.583200  0.250060  0.083377  1
  Si  Si12  1  0.583446  0.249942  0.416688  1
  Si  Si13  1  0.583286  0.249977  0.750084  1
  Si  Si14  1  0.583389  0.583462  0.083494  1
  Si  Si15  1  0.583339  0.583491  0.416795  1
  Si  Si16  1  0.583320  0.583498  0.749820  1
  Si  Si17  1  0.583347  0.916572  0.083447  1
  Si  Si18  1  0.583317  0.916585  0.416842  1
  Si  Si19  1  0.583466  0.916642  0.749919  1
  Si  Si20  1  0.912590  0.250008  0.083292  1
  Si  Si21  1  0.916527  0.250063  0.417440  1
  Si  Si22  1  0.916647  0.249974  0.749182  1
  Si  Si23  1  0.916579  0.584086  0.083364  1
  Si  Si24  1  0.916724  0.583512  0.416792  1
  Si  Si25  1  0.916269  0.583772  0.749482  1
  Si  Si26  1  0.916588  0.915930  0.083186  1
  Si  Si27  1  0.916303  0.916172  0.417118  1
  Si  Si28  1  0.916656  0.916513  0.749933  1
  Si  Si29  1  0.999004  0.999475  0.998938  1
  Si  Si30  1  0.001429  0.998873  0.334431  1
  Si  Si31  1  0.999799  0.999722  0.666446  1
  Si  Si32  1  0.995742  0.337722  0.995616  1
  Si  Si33  1  0.998947  0.334309  0.333895  1
  Si  Si34  1  0.000031  0.333302  0.666313  1
  Si  Si35  1  0.999948  0.666881  0.999944  1
  Si  Si36  1  0.999842  0.666879  0.333487  1
  Si  Si37  1  0.000240  0.666826  0.666498  1
  Si  Si38  1  0.334451  0.998823  0.001429  1
  Si  Si39  1  0.333820  0.999328  0.333878  1
  Si  Si40  1  0.333385  0.999904  0.666574  1
  Si  Si41  1  0.333902  0.334353  0.998995  1
  Si  Si42  1  0.334483  0.331821  0.334449  1
  Si  Si43  1  0.333668  0.333506  0.666302  1
  Si  Si44  1  0.333713  0.666878  0.999761  1
  Si  Si45  1  0.333247  0.666783  0.333272  1
  Si  Si46  1  0.333380  0.666641  0.666540  1
  Si  Si47  1  0.666407  0.999722  0.999898  1
  Si  Si48  1  0.666596  0.999944  0.333363  1
  Si  Si49  1  0.666598  0.000095  0.666620  1
  Si  Si50  1  0.666364  0.333321  0.000032  1
  Si  Si51  1  0.666438  0.333572  0.333589  1
  Si  Si52  1  0.666466  0.333018  0.666587  1
  Si  Si53  1  0.666547  0.666842  0.000365  1
  Si  Si54  1  0.666659  0.666697  0.333424  1
  Si  Si55  1  0.666761  0.666734  0.666633  1
  Si  Si56  1  0.250632  0.082599  0.250672  1
  Si  Si57  1  0.250206  0.083143  0.583356  1
  Si  Si58  1  0.253760  0.079485  0.912844  1
  Si  Si59  1  0.253799  0.420361  0.253741  1
  Si  Si60  1  0.250159  0.416751  0.583203  1
  Si  Si61  1  0.250666  0.417288  0.915948  1
  Si  Si62  1  0.249939  0.749893  0.250053  1
  Si  Si63  1  0.250073  0.749813  0.583306  1
  Si  Si64  1  0.250214  0.749974  0.916507  1
  Si  Si65  1  0.583336  0.083094  0.250132  1
  Si  Si66  1  0.583202  0.083119  0.583358  1
  Si  Si67  1  0.583255  0.083174  0.916639  1
  Si  Si68  1  0.583257  0.416842  0.250179  1
  Si  Si69  1  0.583427  0.416910  0.583352  1
  Si  Si70  1  0.583278  0.416840  0.916582  1
  Si  Si71  1  0.583363  0.749984  0.250314  1
  Si  Si72  1  0.583363  0.750119  0.583289  1
  Si  Si73  1  0.583331  0.749922  0.916475  1
  Si  Si74  1  0.912858  0.079550  0.253752  1
  Si  Si75  1  0.916496  0.083198  0.583354  1
  Si  Si76  1  0.915983  0.082686  0.915963  1
  Si  Si77  1  0.915982  0.417259  0.250619  1
  Si  Si78  1  0.916443  0.416735  0.583263  1
  Si  Si79  1  0.912914  0.420413  0.912851  1
  Si  Si80  1  0.916536  0.749971  0.250026  1
  Si  Si81  1  0.916481  0.750106  0.583355  1
  Si  Si82  1  0.916401  0.749910  0.916509  1
  Si  Si83  1  0.995590  0.162345  0.171002  1
  Si  Si84  1  0.999950  0.166639  0.500198  1
  Si  Si85  1  0.998986  0.165666  0.832727  1
  Si  Si86  1  0.998943  0.500524  0.167624  1
  Si  Si87  1  0.999813  0.500223  0.500227  1
  Si  Si88  1  0.001459  0.501092  0.832123  1
  Si  Si89  1  0.999980  0.833125  0.166559  1
  Si  Si90  1  0.000307  0.833145  0.500087  1
  Si  Si91  1  0.999786  0.832997  0.833108  1
  Si  Si92  1  0.333888  0.165592  0.167702  1
  Si  Si93  1  0.333674  0.166417  0.500194  1
  Si  Si94  1  0.334436  0.168075  0.832188  1
  Si  Si95  1  0.334399  0.501153  0.165179  1
  Si  Si96  1  0.333351  0.499971  0.499987  1
  Si  Si97  1  0.334000  0.500453  0.832775  1
  Si  Si98  1  0.333520  0.833024  0.166856  1
  Si  Si99  1  0.333238  0.833154  0.500063  1
  Si  Si100  1  0.333374  0.833186  0.833262  1
  Si  Si101  1  0.666307  0.166676  0.166636  1
  Si  Si102  1  0.666463  0.166876  0.500206  1
  Si  Si103  1  0.666390  0.166449  0.833159  1
  Si  Si104  1  0.666466  0.500290  0.166960  1
  Si  Si105  1  0.666617  0.500113  0.500054  1
  Si  Si106  1  0.666487  0.500014  0.833302  1
  Si  Si107  1  0.666486  0.833139  0.166462  1
  Si  Si108  1  0.666826  0.833421  0.500000  1
  Si  Si109  1  0.666579  0.833255  0.833335  1
  Si  Si110  1  0.083290  0.249938  0.254110  1
  Si  Si111  1  0.083333  0.249919  0.583211  1
  Si  Si112  1  0.083407  0.249954  0.912522  1
  Si  Si113  1  0.083256  0.584065  0.249944  1
  Si  Si114  1  0.083282  0.583288  0.583420  1
  Si  Si115  1  0.083369  0.584105  0.916539  1
  Si  Si116  1  0.083356  0.915875  0.250002  1
  Si  Si117  1  0.083266  0.916582  0.583298  1
  Si  Si118  1  0.083248  0.915858  0.916579  1
  Si  Si119  1  0.417464  0.249887  0.250024  1
  Si  Si120  1  0.416820  0.250030  0.583188  1
  Si  Si121  1  0.417401  0.250049  0.916607  1
  Si  Si122  1  0.417090  0.583872  0.250302  1
  Si  Si123  1  0.416770  0.583366  0.583248  1
  Si  Si124  1  0.416914  0.583462  0.916527  1
  Si  Si125  1  0.416737  0.916393  0.250102  1
  Si  Si126  1  0.416696  0.916516  0.583157  1
  Si  Si127  1  0.417165  0.916164  0.916258  1
  Si  Si128  1  0.749143  0.250059  0.249995  1
  Si  Si129  1  0.749835  0.249967  0.583370  1
  Si  Si130  1  0.749183  0.249964  0.916619  1
  Si  Si131  1  0.749923  0.583454  0.250195  1
  Si  Si132  1  0.749989  0.583525  0.583186  1
  Si  Si133  1  0.749468  0.583765  0.916305  1
  Si  Si134  1  0.749559  0.916164  0.250348  1
  Si  Si135  1  0.749947  0.916713  0.583475  1
  Si  Si136  1  0.749764  0.916555  0.916576  1
  Si  Si137  1  0.167626  0.999442  0.167656  1
  Si  Si138  1  0.166859  0.999703  0.500259  1
  Si  Si139  1  0.165187  0.998836  0.832131  1
  Si  Si140  1  0.170964  0.337659  0.171012  1
  Si  Si141  1  0.166641  0.333271  0.500155  1
  Si  Si142  1  0.167717  0.334305  0.832669  1
  Si  Si143  1  0.166522  0.666898  0.166479  1
  Si  Si144  1  0.166262  0.666706  0.500101  1
  Si  Si145  1  0.166949  0.666837  0.833039  1
  Si  Si146  1  0.500152  0.999626  0.166898  1
  Si  Si147  1  0.499980  0.999990  0.499998  1
  Si  Si148  1  0.500130  0.000013  0.833321  1
  Si  Si149  1  0.500168  0.333413  0.166669  1
  Si  Si150  1  0.500315  0.333085  0.500091  1
  Si  Si151  1  0.500178  0.333540  0.833095  1
  Si  Si152  1  0.500149  0.666945  0.166410  1
  Si  Si153  1  0.499918  0.666736  0.499945  1
  Si  Si154  1  0.500065  0.666755  0.833215  1
  Si  Si155  1  0.832180  0.998901  0.165174  1
  Si  Si156  1  0.833346  0.000007  0.500093  1
  Si  Si157  1  0.832732  0.999460  0.832763  1
  Si  Si158  1  0.832721  0.334306  0.167633  1
  Si  Si159  1  0.832919  0.333484  0.500227  1
  Si  Si160  1  0.832195  0.331882  0.832188  1
  Si  Si161  1  0.833027  0.666855  0.166836  1
  Si  Si162  1  0.833471  0.666766  0.500036  1
  Si  Si163  1  0.833230  0.666720  0.833252  1
  Si  Si164  1  0.083319  0.079283  0.083295  1
  Si  Si165  1  0.083395  0.083249  0.417451  1
  Si  Si166  1  0.083282  0.083304  0.749163  1
  Si  Si167  1  0.083383  0.420803  0.083292  1
  Si  Si168  1  0.083250  0.416692  0.417398  1
  Si  Si169  1  0.083434  0.416676  0.749140  1
  Si  Si170  1  0.083240  0.750047  0.083162  1
  Si  Si171  1  0.083315  0.749936  0.416600  1
  Si  Si172  1  0.083319  0.749871  0.749987  1
  Si  Si173  1  0.417423  0.083221  0.083426  1
  Si  Si174  1  0.416811  0.083211  0.416666  1
  Si  Si175  1  0.417152  0.082957  0.749508  1
  Si  Si176  1  0.417444  0.416799  0.083221  1
  Si  Si177  1  0.417192  0.416991  0.417079  1
  Si  Si178  1  0.416861  0.416705  0.749733  1
  Si  Si179  1  0.416749  0.750082  0.083271  1
  Si  Si180  1  0.416651  0.750093  0.416666  1
  Si  Si181  1  0.416765  0.749951  0.749774  1
  Si  Si182  1  0.749186  0.083347  0.083263  1
  Si  Si183  1  0.749518  0.082961  0.417154  1
  Si  Si184  1  0.749822  0.083359  0.749863  1
  Si  Si185  1  0.749175  0.416716  0.083408  1
  Si  Si186  1  0.749820  0.416806  0.416817  1
  Si  Si187  1  0.749510  0.417042  0.749522  1
  Si  Si188  1  0.749963  0.750093  0.083386  1
  Si  Si189  1  0.749994  0.749900  0.416794  1
  Si  Si190  1  0.749925  0.750165  0.749879  1
  Si  Si191  1  0.171100  0.162325  0.995625  1
  Si  Si192  1  0.167670  0.165615  0.333904  1
  Si  Si193  1  0.166685  0.166670  0.666356  1
  Si  Si194  1  0.167694  0.500594  0.998902  1
  Si  Si195  1  0.165212  0.501068  0.334359  1
  Si  Si196  1  0.166964  0.500234  0.666423  1
  Si  Si197  1  0.166682  0.833082  0.999937  1
  Si  Si198  1  0.166817  0.833110  0.333559  1
  Si  Si199  1  0.166283  0.833080  0.666463  1
  Si  Si200  1  0.500158  0.166703  0.000066  1
  Si  Si201  1  0.500290  0.166459  0.333564  1
  Si  Si202  1  0.500136  0.167023  0.666524  1
  Si  Si203  1  0.500298  0.500400  0.999883  1
  Si  Si204  1  0.500054  0.500117  0.333342  1
  Si  Si205  1  0.500093  0.500060  0.666547  1
  Si  Si206  1  0.500230  0.833210  0.000271  1
  Si  Si207  1  0.500086  0.833304  0.333419  1
  Si  Si208  1  0.499997  0.833470  0.666665  1
  Si  Si209  1  0.832762  0.165689  0.998959  1
  Si  Si210  1  0.832144  0.168123  0.334421  1
  Si  Si211  1  0.833045  0.166541  0.666445  1
  Si  Si212  1  0.832203  0.501080  0.001413  1
  Si  Si213  1  0.832880  0.500521  0.333947  1
  Si  Si214  1  0.833293  0.500006  0.666499  1
  Si  Si215  1  0.833001  0.833153  0.999759  1
  Si  Si216  1  0.833357  0.833168  0.333303  1
  Si  Si217  1  0.833357  0.833398  0.666648  1
