# generated using pymatgen
data_FeSi216
_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   FeSi216
_chemical_formula_sum   'Fe1 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
  Fe  Fe1  1  0.124964  0.208309  0.125030  1
  Si  Si2  1  0.255167  0.249645  0.083757  1
  Si  Si3  1  0.250726  0.249864  0.418149  1
  Si  Si4  1  0.249948  0.249914  0.749765  1
  Si  Si5  1  0.249954  0.583559  0.083486  1
  Si  Si6  1  0.250227  0.583278  0.416932  1
  Si  Si7  1  0.249979  0.583600  0.749827  1
  Si  Si8  1  0.250772  0.915199  0.083480  1
  Si  Si9  1  0.250108  0.916395  0.416943  1
  Si  Si10  1  0.250080  0.916403  0.750115  1
  Si  Si11  1  0.583375  0.250074  0.083136  1
  Si  Si12  1  0.583600  0.250004  0.416975  1
  Si  Si13  1  0.583121  0.250052  0.749797  1
  Si  Si14  1  0.583249  0.583595  0.083350  1
  Si  Si15  1  0.583359  0.583317  0.416617  1
  Si  Si16  1  0.583305  0.583412  0.749781  1
  Si  Si17  1  0.583566  0.916327  0.083192  1
  Si  Si18  1  0.583380  0.916518  0.416936  1
  Si  Si19  1  0.583377  0.916561  0.749810  1
  Si  Si20  1  0.914096  0.251157  0.082183  1
  Si  Si21  1  0.916491  0.249736  0.416729  1
  Si  Si22  1  0.915979  0.250420  0.749196  1
  Si  Si23  1  0.915943  0.584127  0.082922  1
  Si  Si24  1  0.916574  0.583462  0.416663  1
  Si  Si25  1  0.916383  0.583355  0.749811  1
  Si  Si26  1  0.916480  0.916514  0.083509  1
  Si  Si27  1  0.916598  0.916265  0.416976  1
  Si  Si28  1  0.916591  0.916860  0.749896  1
  Si  Si29  1  0.998467  0.000151  0.998531  1
  Si  Si30  1  0.001003  0.999154  0.334126  1
  Si  Si31  1  0.999989  0.999953  0.666559  1
  Si  Si32  1  0.999688  0.333582  0.999771  1
  Si  Si33  1  0.998485  0.334816  0.333197  1
  Si  Si34  1  0.999671  0.333629  0.666258  1
  Si  Si35  1  0.999644  0.667083  0.999713  1
  Si  Si36  1  0.999952  0.666738  0.333463  1
  Si  Si37  1  0.999794  0.666630  0.666636  1
  Si  Si38  1  0.334082  0.999187  0.001005  1
  Si  Si39  1  0.333578  0.999688  0.333672  1
  Si  Si40  1  0.333470  0.999677  0.666925  1
  Si  Si41  1  0.333171  0.334850  0.998540  1
  Si  Si42  1  0.334066  0.332293  0.334157  1
  Si  Si43  1  0.333350  0.333387  0.666633  1
  Si  Si44  1  0.333329  0.666748  0.000008  1
  Si  Si45  1  0.333612  0.666439  0.333654  1
  Si  Si46  1  0.333541  0.666736  0.666681  1
  Si  Si47  1  0.666499  0.999947  0.999862  1
  Si  Si48  1  0.666793  0.999741  0.333570  1
  Si  Si49  1  0.666566  0.999981  0.666531  1
  Si  Si50  1  0.666188  0.333669  0.999684  1
  Si  Si51  1  0.666550  0.333284  0.333305  1
  Si  Si52  1  0.666573  0.333421  0.666534  1
  Si  Si53  1  0.666621  0.666796  0.999838  1
  Si  Si54  1  0.666527  0.666812  0.333409  1
  Si  Si55  1  0.666694  0.666675  0.666566  1
  Si  Si56  1  0.250190  0.083063  0.250257  1
  Si  Si57  1  0.250196  0.083027  0.583802  1
  Si  Si58  1  0.251403  0.081906  0.916853  1
  Si  Si59  1  0.251399  0.416489  0.251469  1
  Si  Si60  1  0.249980  0.416801  0.583470  1
  Si  Si61  1  0.248948  0.417524  0.915879  1
  Si  Si62  1  0.250297  0.749556  0.250322  1
  Si  Si63  1  0.250223  0.749939  0.583451  1
  Si  Si64  1  0.249913  0.749880  0.916570  1
  Si  Si65  1  0.583683  0.083043  0.250255  1
  Si  Si66  1  0.583217  0.083189  0.583325  1
  Si  Si67  1  0.583308  0.083320  0.916438  1
  Si  Si68  1  0.583430  0.416760  0.249947  1
  Si  Si69  1  0.583414  0.416789  0.583265  1
  Si  Si70  1  0.583027  0.416984  0.916402  1
  Si  Si71  1  0.583256  0.750103  0.250168  1
  Si  Si72  1  0.583498  0.749897  0.583381  1
  Si  Si73  1  0.583448  0.749998  0.916416  1
  Si  Si74  1  0.916790  0.081822  0.251428  1
  Si  Si75  1  0.916517  0.083277  0.583387  1
  Si  Si76  1  0.915809  0.084411  0.915865  1
  Si  Si77  1  0.915816  0.417503  0.248972  1
  Si  Si78  1  0.916381  0.416866  0.583021  1
  Si  Si79  1  0.916249  0.416963  0.916374  1
  Si  Si80  1  0.916505  0.749882  0.250051  1
  Si  Si81  1  0.916478  0.749899  0.583443  1
  Si  Si82  1  0.916394  0.750292  0.916387  1
  Si  Si83  1  0.994780  0.167073  0.166267  1
  Si  Si84  1  0.999958  0.166701  0.500206  1
  Si  Si85  1  0.999163  0.166813  0.831886  1
  Si  Si86  1  0.999165  0.501485  0.166559  1
  Si  Si87  1  0.999861  0.500201  0.500006  1
  Si  Si88  1  0.999765  0.500192  0.833104  1
  Si  Si89  1  0.999941  0.833090  0.166631  1
  Si  Si90  1  0.999966  0.833081  0.500239  1
  Si  Si91  1  0.999812  0.833417  0.833106  1
  Si  Si92  1  0.335806  0.165509  0.167831  1
  Si  Si93  1  0.333884  0.166275  0.500848  1
  Si  Si94  1  0.333388  0.166798  0.833191  1
  Si  Si95  1  0.333409  0.500140  0.166574  1
  Si  Si96  1  0.333436  0.499939  0.500189  1
  Si  Si97  1  0.333357  0.500431  0.833091  1
  Si  Si98  1  0.333972  0.832527  0.167070  1
  Si  Si99  1  0.333497  0.833174  0.500126  1
  Si  Si100  1  0.333379  0.833173  0.833404  1
  Si  Si101  1  0.666419  0.166599  0.166621  1
  Si  Si102  1  0.666663  0.166575  0.500067  1
  Si  Si103  1  0.666286  0.166711  0.832938  1
  Si  Si104  1  0.666362  0.500411  0.166696  1
  Si  Si105  1  0.666633  0.500053  0.499851  1
  Si  Si106  1  0.666529  0.500205  0.833111  1
  Si  Si107  1  0.666661  0.833284  0.166648  1
  Si  Si108  1  0.666704  0.833312  0.500130  1
  Si  Si109  1  0.666684  0.833336  0.833094  1
  Si  Si110  1  0.083660  0.249594  0.255227  1
  Si  Si111  1  0.083182  0.250079  0.583482  1
  Si  Si112  1  0.082139  0.251186  0.914180  1
  Si  Si113  1  0.083397  0.583587  0.250044  1
  Si  Si114  1  0.083378  0.583526  0.583266  1
  Si  Si115  1  0.082833  0.584075  0.916048  1
  Si  Si116  1  0.083443  0.915189  0.250810  1
  Si  Si117  1  0.083279  0.916256  0.583645  1
  Si  Si118  1  0.083472  0.916535  0.916551  1
  Si  Si119  1  0.418078  0.249887  0.250798  1
  Si  Si120  1  0.416942  0.250076  0.583672  1
  Si  Si121  1  0.416722  0.249853  0.916493  1
  Si  Si122  1  0.416853  0.583290  0.250232  1
  Si  Si123  1  0.416852  0.583351  0.583435  1
  Si  Si124  1  0.416610  0.583573  0.916616  1
  Si  Si125  1  0.416846  0.916417  0.250184  1
  Si  Si126  1  0.416785  0.916424  0.583476  1
  Si  Si127  1  0.416938  0.916325  0.916566  1
  Si  Si128  1  0.749717  0.249832  0.249912  1
  Si  Si129  1  0.749797  0.249919  0.583167  1
  Si  Si130  1  0.749140  0.250437  0.916010  1
  Si  Si131  1  0.749760  0.583625  0.249996  1
  Si  Si132  1  0.749857  0.583359  0.583158  1
  Si  Si133  1  0.749811  0.583538  0.916429  1
  Si  Si134  1  0.749985  0.916461  0.250206  1
  Si  Si135  1  0.749979  0.916620  0.583415  1
  Si  Si136  1  0.749849  0.916824  0.916480  1
  Si  Si137  1  0.167768  0.997458  0.167813  1
  Si  Si138  1  0.167016  0.999326  0.500808  1
  Si  Si139  1  0.166481  0.999906  0.833250  1
  Si  Si140  1  0.166190  0.338507  0.166296  1
  Si  Si141  1  0.166551  0.333360  0.500255  1
  Si  Si142  1  0.166532  0.334148  0.831924  1
  Si  Si143  1  0.166699  0.666814  0.166765  1
  Si  Si144  1  0.166748  0.666618  0.500167  1
  Si  Si145  1  0.166603  0.666935  0.833013  1
  Si  Si146  1  0.500724  0.999320  0.167055  1
  Si  Si147  1  0.499978  0.999807  0.500153  1
  Si  Si148  1  0.500078  0.999852  0.833295  1
  Si  Si149  1  0.500184  0.333343  0.166549  1
  Si  Si150  1  0.500160  0.333286  0.500158  1
  Si  Si151  1  0.499882  0.333551  0.833132  1
  Si  Si152  1  0.500080  0.666630  0.166717  1
  Si  Si153  1  0.500190  0.666571  0.500102  1
  Si  Si154  1  0.500098  0.666696  0.833180  1
  Si  Si155  1  0.833145  0.999863  0.166519  1
  Si  Si156  1  0.833394  0.999902  0.500047  1
  Si  Si157  1  0.832953  0.000062  0.832959  1
  Si  Si158  1  0.831843  0.334138  0.166546  1
  Si  Si159  1  0.833095  0.333431  0.499876  1
  Si  Si160  1  0.833024  0.333490  0.833064  1
  Si  Si161  1  0.832923  0.667014  0.166654  1
  Si  Si162  1  0.833185  0.666722  0.500012  1
  Si  Si163  1  0.833168  0.666797  0.833122  1
  Si  Si164  1  0.083686  0.078153  0.083734  1
  Si  Si165  1  0.083417  0.082477  0.418131  1
  Si  Si166  1  0.083399  0.083337  0.749780  1
  Si  Si167  1  0.082109  0.419160  0.082207  1
  Si  Si168  1  0.083499  0.416817  0.416803  1
  Si  Si169  1  0.082890  0.417304  0.749238  1
  Si  Si170  1  0.083191  0.749824  0.083284  1
  Si  Si171  1  0.083290  0.749684  0.417073  1
  Si  Si172  1  0.083231  0.750025  0.749838  1
  Si  Si173  1  0.418048  0.082502  0.083458  1
  Si  Si174  1  0.416798  0.083202  0.416960  1
  Si  Si175  1  0.416786  0.083091  0.750036  1
  Si  Si176  1  0.416774  0.416871  0.083523  1
  Si  Si177  1  0.416942  0.416694  0.417016  1
  Si  Si178  1  0.416480  0.416808  0.749957  1
  Si  Si179  1  0.416990  0.749690  0.083265  1
  Si  Si180  1  0.416898  0.749867  0.416938  1
  Si  Si181  1  0.416869  0.750008  0.749983  1
  Si  Si182  1  0.749680  0.083278  0.083368  1
  Si  Si183  1  0.749995  0.083079  0.416825  1
  Si  Si184  1  0.749723  0.083437  0.749740  1
  Si  Si185  1  0.749165  0.417325  0.082933  1
  Si  Si186  1  0.749878  0.416671  0.416441  1
  Si  Si187  1  0.749772  0.416833  0.749792  1
  Si  Si188  1  0.749804  0.750200  0.083310  1
  Si  Si189  1  0.749864  0.749979  0.416804  1
  Si  Si190  1  0.749976  0.750053  0.749782  1
  Si  Si191  1  0.166214  0.167110  0.994866  1
  Si  Si192  1  0.167757  0.165491  0.335880  1
  Si  Si193  1  0.166650  0.166639  0.666550  1
  Si  Si194  1  0.166487  0.501441  0.999250  1
  Si  Si195  1  0.166530  0.500160  0.333478  1
  Si  Si196  1  0.166685  0.500374  0.666442  1
  Si  Si197  1  0.166539  0.833101  0.000024  1
  Si  Si198  1  0.167043  0.832522  0.333994  1
  Si  Si199  1  0.166645  0.833138  0.666762  1
  Si  Si200  1  0.500107  0.166700  0.999921  1
  Si  Si201  1  0.500706  0.166245  0.333968  1
  Si  Si202  1  0.500014  0.166648  0.666742  1
  Si  Si203  1  0.499947  0.500289  0.999876  1
  Si  Si204  1  0.500069  0.499850  0.333372  1
  Si  Si205  1  0.500040  0.499989  0.666623  1
  Si  Si206  1  0.500159  0.833106  0.999922  1
  Si  Si207  1  0.500047  0.833275  0.333601  1
  Si  Si208  1  0.500127  0.833202  0.666617  1
  Si  Si209  1  0.831801  0.166811  0.999206  1
  Si  Si210  1  0.833138  0.166735  0.333386  1
  Si  Si211  1  0.832973  0.166638  0.666326  1
  Si  Si212  1  0.833012  0.500263  0.999826  1
  Si  Si213  1  0.832994  0.500387  0.333382  1
  Si  Si214  1  0.833095  0.500097  0.666457  1
  Si  Si215  1  0.833082  0.833450  0.999768  1
  Si  Si216  1  0.833316  0.833191  0.333420  1
  Si  Si217  1  0.833288  0.833392  0.666629  1
