# 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  0.041663  0.291638  0.124998  1
  Si  Si2  1  0.251717  0.249254  0.083049  1
  Si  Si3  1  0.249732  0.249904  0.416142  1
  Si  Si4  1  0.250307  0.249668  0.749444  1
  Si  Si5  1  0.249521  0.582769  0.083373  1
  Si  Si6  1  0.249965  0.583806  0.417085  1
  Si  Si7  1  0.249963  0.582995  0.749984  1
  Si  Si8  1  0.250490  0.916021  0.082875  1
  Si  Si9  1  0.249963  0.916612  0.416435  1
  Si  Si10  1  0.250248  0.916633  0.749881  1
  Si  Si11  1  0.583265  0.249875  0.083154  1
  Si  Si12  1  0.582957  0.250112  0.416852  1
  Si  Si13  1  0.583328  0.249872  0.749750  1
  Si  Si14  1  0.582871  0.583659  0.083384  1
  Si  Si15  1  0.583163  0.583455  0.416895  1
  Si  Si16  1  0.583271  0.583174  0.750180  1
  Si  Si17  1  0.582972  0.916081  0.083203  1
  Si  Si18  1  0.583320  0.916914  0.416514  1
  Si  Si19  1  0.583505  0.916629  0.749811  1
  Si  Si20  1  0.911105  0.251068  0.080461  1
  Si  Si21  1  0.916279  0.250436  0.417435  1
  Si  Si22  1  0.916809  0.250146  0.750099  1
  Si  Si23  1  0.915970  0.584683  0.083580  1
  Si  Si24  1  0.916353  0.583417  0.416726  1
  Si  Si25  1  0.916583  0.583872  0.749561  1
  Si  Si26  1  0.916715  0.916540  0.083417  1
  Si  Si27  1  0.916529  0.917206  0.416257  1
  Si  Si28  1  0.916809  0.916354  0.749566  1
  Si  Si29  1  0.000104  0.998555  0.999150  1
  Si  Si30  1  0.999968  0.000438  0.332815  1
  Si  Si31  1  0.000063  0.999696  0.666227  1
  Si  Si32  1  0.997118  0.331908  0.994731  1
  Si  Si33  1  0.999738  0.334214  0.335114  1
  Si  Si34  1  0.999990  0.333303  0.666557  1
  Si  Si35  1  0.000060  0.666679  0.999992  1
  Si  Si36  1  0.999614  0.667376  0.333982  1
  Si  Si37  1  0.999868  0.667180  0.666426  1
  Si  Si38  1  0.333382  0.999966  0.999786  1
  Si  Si39  1  0.333560  0.999661  0.333048  1
  Si  Si40  1  0.333478  0.999934  0.666402  1
  Si  Si41  1  0.334127  0.332964  0.999618  1
  Si  Si42  1  0.333124  0.333594  0.333206  1
  Si  Si43  1  0.333362  0.333222  0.666348  1
  Si  Si44  1  0.332886  0.666021  0.999893  1
  Si  Si45  1  0.333252  0.666816  0.333316  1
  Si  Si46  1  0.333294  0.666576  0.666760  1
  Si  Si47  1  0.666103  0.999281  0.999836  1
  Si  Si48  1  0.666723  0.000331  0.333296  1
  Si  Si49  1  0.666657  0.000150  0.666507  1
  Si  Si50  1  0.666785  0.333094  0.000012  1
  Si  Si51  1  0.666058  0.333585  0.333676  1
  Si  Si52  1  0.666671  0.333417  0.666897  1
  Si  Si53  1  0.666342  0.666938  0.000195  1
  Si  Si54  1  0.666547  0.666742  0.333527  1
  Si  Si55  1  0.666469  0.666675  0.666832  1
  Si  Si56  1  0.250678  0.082505  0.248928  1
  Si  Si57  1  0.250232  0.083256  0.582989  1
  Si  Si58  1  0.249900  0.083687  0.916842  1
  Si  Si59  1  0.250344  0.419117  0.251155  1
  Si  Si60  1  0.249875  0.416573  0.583183  1
  Si  Si61  1  0.250484  0.415556  0.916152  1
  Si  Si62  1  0.250060  0.750157  0.249843  1
  Si  Si63  1  0.250161  0.750200  0.583537  1
  Si  Si64  1  0.250276  0.749737  0.916393  1
  Si  Si65  1  0.583425  0.083591  0.249876  1
  Si  Si66  1  0.583290  0.083544  0.583231  1
  Si  Si67  1  0.583561  0.083165  0.916378  1
  Si  Si68  1  0.582997  0.416916  0.250158  1
  Si  Si69  1  0.583463  0.416763  0.583521  1
  Si  Si70  1  0.583519  0.416555  0.916789  1
  Si  Si71  1  0.583791  0.750494  0.250066  1
  Si  Si72  1  0.583349  0.750177  0.583351  1
  Si  Si73  1  0.583124  0.750095  0.916671  1
  Si  Si74  1  0.916255  0.085030  0.250428  1
  Si  Si75  1  0.916860  0.083576  0.583278  1
  Si  Si76  1  0.917526  0.082356  0.915822  1
  Si  Si77  1  0.917155  0.416589  0.249526  1
  Si  Si78  1  0.916558  0.416951  0.583689  1
  Si  Si79  1  0.915696  0.418956  0.916617  1
  Si  Si80  1  0.916467  0.750404  0.250286  1
  Si  Si81  1  0.916629  0.750392  0.582910  1
  Si  Si82  1  0.916860  0.750152  0.916658  1
  Si  Si83  1  0.000758  0.163830  0.165520  1
  Si  Si84  1  0.000182  0.166727  0.499887  1
  Si  Si85  1  0.000239  0.165829  0.832199  1
  Si  Si86  1  0.999464  0.502417  0.167399  1
  Si  Si87  1  0.999734  0.500708  0.500664  1
  Si  Si88  1  0.999969  0.500703  0.832858  1
  Si  Si89  1  0.000007  0.833195  0.166631  1
  Si  Si90  1  0.999901  0.833889  0.499747  1
  Si  Si91  1  0.000134  0.833057  0.832962  1
  Si  Si92  1  0.334420  0.166015  0.166384  1
  Si  Si93  1  0.333269  0.166792  0.499652  1
  Si  Si94  1  0.333424  0.166632  0.833265  1
  Si  Si95  1  0.333941  0.500851  0.166773  1
  Si  Si96  1  0.333280  0.500035  0.500085  1
  Si  Si97  1  0.333446  0.499693  0.833155  1
  Si  Si98  1  0.333581  0.833127  0.166496  1
  Si  Si99  1  0.333356  0.833467  0.499954  1
  Si  Si100  1  0.333533  0.833230  0.833122  1
  Si  Si101  1  0.666720  0.166716  0.166457  1
  Si  Si102  1  0.666591  0.167022  0.500136  1
  Si  Si103  1  0.666724  0.166671  0.833105  1
  Si  Si104  1  0.665970  0.500633  0.166908  1
  Si  Si105  1  0.666620  0.500156  0.500121  1
  Si  Si106  1  0.666758  0.499991  0.833545  1
  Si  Si107  1  0.666964  0.833948  0.166771  1
  Si  Si108  1  0.666570  0.833616  0.500018  1
  Si  Si109  1  0.666667  0.833283  0.833335  1
  Si  Si110  1  0.086117  0.251370  0.255261  1
  Si  Si111  1  0.083505  0.249882  0.583316  1
  Si  Si112  1  0.083559  0.249120  0.914889  1
  Si  Si113  1  0.083248  0.584748  0.250855  1
  Si  Si114  1  0.083309  0.583667  0.583778  1
  Si  Si115  1  0.083368  0.582786  0.917124  1
  Si  Si116  1  0.083228  0.916508  0.249918  1
  Si  Si117  1  0.083490  0.916155  0.583554  1
  Si  Si118  1  0.083766  0.915941  0.916020  1
  Si  Si119  1  0.416609  0.250228  0.249923  1
  Si  Si120  1  0.416594  0.249932  0.583112  1
  Si  Si121  1  0.417244  0.249747  0.916334  1
  Si  Si122  1  0.417266  0.583989  0.250152  1
  Si  Si123  1  0.416673  0.583257  0.583541  1
  Si  Si124  1  0.416607  0.582939  0.916714  1
  Si  Si125  1  0.416988  0.916452  0.249776  1
  Si  Si126  1  0.416906  0.916703  0.583172  1
  Si  Si127  1  0.416722  0.916623  0.916430  1
  Si  Si128  1  0.749204  0.250376  0.250398  1
  Si  Si129  1  0.749943  0.250136  0.583716  1
  Si  Si130  1  0.750271  0.249669  0.916750  1
  Si  Si131  1  0.749893  0.583426  0.250246  1
  Si  Si132  1  0.749854  0.583403  0.583603  1
  Si  Si133  1  0.749749  0.583726  0.916916  1
  Si  Si134  1  0.750454  0.917262  0.250116  1
  Si  Si135  1  0.750069  0.916863  0.583270  1
  Si  Si136  1  0.750139  0.916479  0.916649  1
  Si  Si137  1  0.167304  0.998656  0.166448  1
  Si  Si138  1  0.166763  0.999458  0.500395  1
  Si  Si139  1  0.166966  0.999962  0.833304  1
  Si  Si140  1  0.172104  0.332208  0.169571  1
  Si  Si141  1  0.166618  0.333206  0.499855  1
  Si  Si142  1  0.167035  0.332886  0.832557  1
  Si  Si143  1  0.166701  0.666730  0.166647  1
  Si  Si144  1  0.166589  0.666988  0.500419  1
  Si  Si145  1  0.166793  0.666078  0.833715  1
  Si  Si146  1  0.500431  0.999773  0.166639  1
  Si  Si147  1  0.500031  0.000215  0.499853  1
  Si  Si148  1  0.500169  0.999889  0.833132  1
  Si  Si149  1  0.500091  0.333348  0.166681  1
  Si  Si150  1  0.499983  0.333461  0.500271  1
  Si  Si151  1  0.500359  0.333235  0.833221  1
  Si  Si152  1  0.500305  0.667309  0.166814  1
  Si  Si153  1  0.499854  0.666760  0.500192  1
  Si  Si154  1  0.499979  0.666473  0.833508  1
  Si  Si155  1  0.833835  0.000522  0.166642  1
  Si  Si156  1  0.833414  0.000316  0.500005  1
  Si  Si157  1  0.833436  0.999532  0.832917  1
  Si  Si158  1  0.831584  0.334123  0.166983  1
  Si  Si159  1  0.833041  0.333661  0.500585  1
  Si  Si160  1  0.833641  0.333415  0.833805  1
  Si  Si161  1  0.832795  0.667373  0.167128  1
  Si  Si162  1  0.833124  0.666724  0.500127  1
  Si  Si163  1  0.833409  0.666733  0.833521  1
  Si  Si164  1  0.083829  0.080939  0.082618  1
  Si  Si165  1  0.083351  0.082567  0.417081  1
  Si  Si166  1  0.083622  0.082624  0.749329  1
  Si  Si167  1  0.082509  0.419466  0.084478  1
  Si  Si168  1  0.083096  0.417481  0.417787  1
  Si  Si169  1  0.083125  0.416552  0.750054  1
  Si  Si170  1  0.083462  0.749926  0.083217  1
  Si  Si171  1  0.083261  0.750299  0.417062  1
  Si  Si172  1  0.083454  0.749436  0.750261  1
  Si  Si173  1  0.417319  0.082732  0.083096  1
  Si  Si174  1  0.416553  0.083370  0.416388  1
  Si  Si175  1  0.416676  0.083144  0.749914  1
  Si  Si176  1  0.416632  0.416628  0.083565  1
  Si  Si177  1  0.416647  0.416637  0.416886  1
  Si  Si178  1  0.416761  0.416293  0.749899  1
  Si  Si179  1  0.416279  0.749424  0.083242  1
  Si  Si180  1  0.416585  0.750063  0.416743  1
  Si  Si181  1  0.416840  0.749781  0.749983  1
  Si  Si182  1  0.749377  0.082423  0.083250  1
  Si  Si183  1  0.749857  0.083618  0.416874  1
  Si  Si184  1  0.750148  0.083293  0.749896  1
  Si  Si185  1  0.748870  0.417340  0.083611  1
  Si  Si186  1  0.749843  0.416697  0.416797  1
  Si  Si187  1  0.750082  0.416546  0.750344  1
  Si  Si188  1  0.749689  0.750298  0.083497  1
  Si  Si189  1  0.749772  0.750077  0.416879  1
  Si  Si190  1  0.749947  0.749876  0.750112  1
  Si  Si191  1  0.166145  0.166789  0.000501  1
  Si  Si192  1  0.167634  0.164356  0.333405  1
  Si  Si193  1  0.166852  0.166344  0.666330  1
  Si  Si194  1  0.167056  0.498285  0.999617  1
  Si  Si195  1  0.165835  0.500960  0.334187  1
  Si  Si196  1  0.166503  0.499776  0.666714  1
  Si  Si197  1  0.166931  0.832912  0.999678  1
  Si  Si198  1  0.166527  0.833217  0.333326  1
  Si  Si199  1  0.166696  0.832991  0.667112  1
  Si  Si200  1  0.500293  0.166352  0.999766  1
  Si  Si201  1  0.499861  0.166796  0.333234  1
  Si  Si202  1  0.499821  0.166620  0.666545  1
  Si  Si203  1  0.499953  0.499778  0.000146  1
  Si  Si204  1  0.499828  0.500102  0.333575  1
  Si  Si205  1  0.499996  0.499893  0.666798  1
  Si  Si206  1  0.499432  0.832913  0.999993  1
  Si  Si207  1  0.500078  0.833304  0.333402  1
  Si  Si208  1  0.500018  0.833282  0.666668  1
  Si  Si209  1  0.832981  0.164152  0.998854  1
  Si  Si210  1  0.832817  0.167754  0.333872  1
  Si  Si211  1  0.833475  0.166775  0.666796  1
  Si  Si212  1  0.832611  0.500844  0.001057  1
  Si  Si213  1  0.833379  0.499706  0.333222  1
  Si  Si214  1  0.833156  0.500043  0.666958  1
  Si  Si215  1  0.833330  0.833225  0.000148  1
  Si  Si216  1  0.833106  0.833515  0.333559  1
  Si  Si217  1  0.833163  0.833195  0.666525  1
