# 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  0.083142  0.250197  0.083531  1
  Si  Si2  1  0.252691  0.250187  0.083530  1
  Si  Si3  1  0.249640  0.249664  0.417072  1
  Si  Si4  1  0.249626  0.250686  0.749977  1
  Si  Si5  1  0.249642  0.583738  0.082999  1
  Si  Si6  1  0.249698  0.583684  0.417019  1
  Si  Si7  1  0.249669  0.583539  0.750211  1
  Si  Si8  1  0.249624  0.916645  0.084019  1
  Si  Si9  1  0.249668  0.916877  0.416872  1
  Si  Si10  1  0.249634  0.916712  0.750046  1
  Si  Si11  1  0.583122  0.250189  0.083522  1
  Si  Si12  1  0.583159  0.250220  0.416867  1
  Si  Si13  1  0.583105  0.250258  0.750204  1
  Si  Si14  1  0.583158  0.583534  0.083552  1
  Si  Si15  1  0.583106  0.583427  0.416764  1
  Si  Si16  1  0.583127  0.583450  0.750313  1
  Si  Si17  1  0.583106  0.916870  0.083593  1
  Si  Si18  1  0.583127  0.916983  0.416777  1
  Si  Si19  1  0.583141  0.916951  0.750285  1
  Si  Si20  1  0.913590  0.250186  0.083503  1
  Si  Si21  1  0.916699  0.250652  0.417032  1
  Si  Si22  1  0.916676  0.249619  0.749979  1
  Si  Si23  1  0.916701  0.583697  0.083985  1
  Si  Si24  1  0.916585  0.583517  0.416863  1
  Si  Si25  1  0.916642  0.583696  0.749987  1
  Si  Si26  1  0.916676  0.916645  0.082952  1
  Si  Si27  1  0.916645  0.916658  0.417028  1
  Si  Si28  1  0.916528  0.916937  0.750270  1
  Si  Si29  1  0.999300  0.000442  0.999650  1
  Si  Si30  1  0.001113  0.999535  0.334141  1
  Si  Si31  1  0.999768  0.000205  0.666671  1
  Si  Si32  1  0.995773  0.337606  0.996171  1
  Si  Si33  1  0.999308  0.334030  0.333274  1
  Si  Si34  1  0.999988  0.333347  0.667109  1
  Si  Si35  1  0.999988  0.666647  0.000328  1
  Si  Si36  1  0.999843  0.667035  0.333496  1
  Si  Si37  1  0.000036  0.666954  0.666751  1
  Si  Si38  1  0.333753  0.999582  0.001458  1
  Si  Si39  1  0.333140  0.000193  0.333606  1
  Si  Si40  1  0.332942  0.000393  0.666942  1
  Si  Si41  1  0.332892  0.334032  0.999650  1
  Si  Si42  1  0.333802  0.332219  0.334145  1
  Si  Si43  1  0.333131  0.333567  0.666670  1
  Si  Si44  1  0.333165  0.667105  0.000215  1
  Si  Si45  1  0.332954  0.666767  0.333292  1
  Si  Si46  1  0.332917  0.666828  0.666896  1
  Si  Si47  1  0.666232  0.000167  0.000218  1
  Si  Si48  1  0.666562  0.000369  0.333301  1
  Si  Si49  1  0.666505  0.000415  0.666895  1
  Si  Si50  1  0.666687  0.333344  0.000329  1
  Si  Si51  1  0.666300  0.333492  0.333494  1
  Si  Si52  1  0.666385  0.333296  0.666754  1
  Si  Si53  1  0.666413  0.666920  0.000418  1
  Si  Si54  1  0.666488  0.666832  0.333317  1
  Si  Si55  1  0.666537  0.666785  0.666939  1
  Si  Si56  1  0.250087  0.083244  0.250491  1
  Si  Si57  1  0.249707  0.083625  0.583769  1
  Si  Si58  1  0.252285  0.081053  0.914385  1
  Si  Si59  1  0.252358  0.419334  0.252672  1
  Si  Si60  1  0.249666  0.416763  0.583271  1
  Si  Si61  1  0.250089  0.417159  0.916581  1
  Si  Si62  1  0.249664  0.749938  0.250093  1
  Si  Si63  1  0.249681  0.750216  0.583549  1
  Si  Si64  1  0.249707  0.750435  0.916957  1
  Si  Si65  1  0.583398  0.083664  0.250099  1
  Si  Si66  1  0.583118  0.083651  0.583549  1
  Si  Si67  1  0.582900  0.083623  0.916959  1
  Si  Si68  1  0.582906  0.416701  0.250036  1
  Si  Si69  1  0.583095  0.416819  0.583577  1
  Si  Si70  1  0.583398  0.416769  0.916995  1
  Si  Si71  1  0.583085  0.750237  0.250151  1
  Si  Si72  1  0.583128  0.750180  0.583505  1
  Si  Si73  1  0.583119  0.750216  0.916985  1
  Si  Si74  1  0.914001  0.080979  0.252668  1
  Si  Si75  1  0.916565  0.083662  0.583270  1
  Si  Si76  1  0.916176  0.083247  0.916580  1
  Si  Si77  1  0.916231  0.417104  0.250437  1
  Si  Si78  1  0.916622  0.416712  0.583767  1
  Si  Si79  1  0.914001  0.419336  0.914314  1
  Si  Si80  1  0.916626  0.750430  0.250044  1
  Si  Si81  1  0.916506  0.750239  0.583572  1
  Si  Si82  1  0.916564  0.749936  0.916994  1
  Si  Si83  1  0.995745  0.162835  0.170917  1
  Si  Si84  1  0.999989  0.166995  0.499981  1
  Si  Si85  1  0.999302  0.166319  0.833779  1
  Si  Si86  1  0.999311  0.499940  0.167366  1
  Si  Si87  1  0.999845  0.500155  0.500373  1
  Si  Si88  1  0.001112  0.500810  0.832867  1
  Si  Si89  1  0.999990  0.833774  0.166680  1
  Si  Si90  1  0.000038  0.833419  0.500289  1
  Si  Si91  1  0.999768  0.833338  0.833539  1
  Si  Si92  1  0.332897  0.166310  0.167369  1
  Si  Si93  1  0.333166  0.166883  0.500440  1
  Si  Si94  1  0.333754  0.168125  0.832915  1
  Si  Si95  1  0.333801  0.500805  0.165554  1
  Si  Si96  1  0.332959  0.499964  0.500106  1
  Si  Si97  1  0.333140  0.500274  0.833529  1
  Si  Si98  1  0.333129  0.833339  0.166899  1
  Si  Si99  1  0.332916  0.833561  0.500160  1
  Si  Si100  1  0.332943  0.833608  0.833725  1
  Si  Si101  1  0.666688  0.166998  0.166676  1
  Si  Si102  1  0.666414  0.167084  0.500254  1
  Si  Si103  1  0.666229  0.166882  0.833502  1
  Si  Si104  1  0.666299  0.500160  0.166825  1
  Si  Si105  1  0.666493  0.499986  0.500169  1
  Si  Si106  1  0.666560  0.499972  0.833699  1
  Si  Si107  1  0.666383  0.833416  0.166631  1
  Si  Si108  1  0.666545  0.833611  0.500110  1
  Si  Si109  1  0.666503  0.833563  0.833749  1
  Si  Si110  1  0.083159  0.250167  0.253094  1
  Si  Si111  1  0.083141  0.250190  0.583547  1
  Si  Si112  1  0.083147  0.250200  0.913985  1
  Si  Si113  1  0.082682  0.583702  0.249974  1
  Si  Si114  1  0.083114  0.583535  0.583510  1
  Si  Si115  1  0.083668  0.583737  0.917029  1
  Si  Si116  1  0.083716  0.916645  0.249991  1
  Si  Si117  1  0.083074  0.916870  0.583565  1
  Si  Si118  1  0.082649  0.916645  0.917045  1
  Si  Si119  1  0.416690  0.249618  0.249993  1
  Si  Si120  1  0.416464  0.250258  0.583565  1
  Si  Si121  1  0.416691  0.250685  0.917043  1
  Si  Si122  1  0.416673  0.583692  0.250019  1
  Si  Si123  1  0.416346  0.583440  0.583534  1
  Si  Si124  1  0.416457  0.583539  0.916997  1
  Si  Si125  1  0.416396  0.916938  0.250139  1
  Si  Si126  1  0.416378  0.916955  0.583526  1
  Si  Si127  1  0.416624  0.916711  0.917033  1
  Si  Si128  1  0.749637  0.250653  0.249968  1
  Si  Si129  1  0.749801  0.250218  0.583509  1
  Si  Si130  1  0.749597  0.249666  0.917028  1
  Si  Si131  1  0.749817  0.583528  0.250081  1
  Si  Si132  1  0.749882  0.583447  0.583549  1
  Si  Si133  1  0.749649  0.583686  0.916968  1
  Si  Si134  1  0.749641  0.916657  0.250023  1
  Si  Si135  1  0.749880  0.916978  0.583535  1
  Si  Si136  1  0.749797  0.916877  0.916996  1
  Si  Si137  1  0.167018  0.000443  0.167366  1
  Si  Si138  1  0.166449  0.000167  0.500439  1
  Si  Si139  1  0.165210  0.999583  0.832918  1
  Si  Si140  1  0.170518  0.337568  0.170941  1
  Si  Si141  1  0.166335  0.333340  0.499981  1
  Si  Si142  1  0.167021  0.334036  0.833774  1
  Si  Si143  1  0.166334  0.666646  0.166673  1
  Si  Si144  1  0.166248  0.666921  0.500254  1
  Si  Si145  1  0.166447  0.667105  0.833501  1
  Si  Si146  1  0.499999  0.000204  0.166899  1
  Si  Si147  1  0.499771  0.000417  0.500161  1
  Si  Si148  1  0.499727  0.000389  0.833724  1
  Si  Si149  1  0.499561  0.333341  0.166676  1
  Si  Si150  1  0.499915  0.333293  0.500289  1
  Si  Si151  1  0.499997  0.333567  0.833538  1
  Si  Si152  1  0.499910  0.666953  0.166623  1
  Si  Si153  1  0.499707  0.666771  0.500101  1
  Si  Si154  1  0.499770  0.666829  0.833750  1
  Si  Si155  1  0.832527  0.999534  0.165555  1
  Si  Si156  1  0.833362  0.000365  0.500107  1
  Si  Si157  1  0.833061  0.000193  0.833526  1
  Si  Si158  1  0.833398  0.334029  0.167357  1
  Si  Si159  1  0.833180  0.333490  0.500372  1
  Si  Si160  1  0.832529  0.332223  0.832868  1
  Si  Si161  1  0.833180  0.667038  0.166823  1
  Si  Si162  1  0.833339  0.666842  0.500166  1
  Si  Si163  1  0.833357  0.666776  0.833695  1
  Si  Si164  1  0.083139  0.080650  0.083528  1
  Si  Si165  1  0.083669  0.083694  0.417072  1
  Si  Si166  1  0.082649  0.083711  0.749979  1
  Si  Si167  1  0.083178  0.419755  0.083526  1
  Si  Si168  1  0.082683  0.416636  0.417034  1
  Si  Si169  1  0.083715  0.416659  0.749979  1
  Si  Si170  1  0.083141  0.750212  0.083522  1
  Si  Si171  1  0.083113  0.750177  0.416868  1
  Si  Si172  1  0.083073  0.750231  0.750204  1
  Si  Si173  1  0.416693  0.083708  0.084019  1
  Si  Si174  1  0.416456  0.083665  0.416871  1
  Si  Si175  1  0.416624  0.083699  0.750045  1
  Si  Si176  1  0.416690  0.416658  0.082951  1
  Si  Si177  1  0.416677  0.416686  0.417029  1
  Si  Si178  1  0.416395  0.416805  0.750273  1
  Si  Si179  1  0.416462  0.750232  0.083588  1
  Si  Si180  1  0.416342  0.750199  0.416767  1
  Si  Si181  1  0.416379  0.750193  0.750287  1
  Si  Si182  1  0.749599  0.083697  0.082997  1
  Si  Si183  1  0.749651  0.083635  0.417019  1
  Si  Si184  1  0.749796  0.083662  0.750210  1
  Si  Si185  1  0.749635  0.416638  0.083984  1
  Si  Si186  1  0.749818  0.416747  0.416863  1
  Si  Si187  1  0.749642  0.416691  0.749992  1
  Si  Si188  1  0.749800  0.750175  0.083553  1
  Si  Si189  1  0.749883  0.750220  0.416759  1
  Si  Si190  1  0.749878  0.750205  0.750309  1
  Si  Si191  1  0.170480  0.162854  0.996189  1
  Si  Si192  1  0.167002  0.166330  0.333302  1
  Si  Si193  1  0.166341  0.166994  0.667053  1
  Si  Si194  1  0.167005  0.499967  0.999668  1
  Si  Si195  1  0.165261  0.500796  0.334131  1
  Si  Si196  1  0.166471  0.500223  0.666624  1
  Si  Si197  1  0.166343  0.833719  0.000327  1
  Si  Si198  1  0.166471  0.833290  0.333556  1
  Si  Si199  1  0.166193  0.833472  0.666808  1
  Si  Si200  1  0.499615  0.166991  0.000326  1
  Si  Si201  1  0.500044  0.166862  0.333556  1
  Si  Si202  1  0.499865  0.167141  0.666806  1
  Si  Si203  1  0.500044  0.500222  0.000195  1
  Si  Si204  1  0.499758  0.499953  0.333287  1
  Si  Si205  1  0.499723  0.500009  0.666943  1
  Si  Si206  1  0.499864  0.833474  0.000474  1
  Si  Si207  1  0.499721  0.833608  0.333340  1
  Si  Si208  1  0.499744  0.833583  0.666915  1
  Si  Si209  1  0.833373  0.166338  0.999668  1
  Si  Si210  1  0.832539  0.168073  0.334129  1
  Si  Si211  1  0.833111  0.166862  0.666624  1
  Si  Si212  1  0.832539  0.500797  0.001405  1
  Si  Si213  1  0.833128  0.500205  0.333539  1
  Si  Si214  1  0.833364  0.499970  0.666898  1
  Si  Si215  1  0.833110  0.833290  0.000196  1
  Si  Si216  1  0.833371  0.833570  0.333295  1
  Si  Si217  1  0.833319  0.833609  0.666941  1
