# 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  0.041650  0.291683  0.125015  1
  Si  Si2  1  0.251448  0.250000  0.083333  1
  Si  Si3  1  0.249837  0.249701  0.416190  1
  Si  Si4  1  0.250383  0.249885  0.749540  1
  Si  Si5  1  0.249837  0.582856  0.083034  1
  Si  Si6  1  0.249688  0.583467  0.416800  1
  Si  Si7  1  0.249755  0.583214  0.750196  1
  Si  Si8  1  0.250383  0.916207  0.083219  1
  Si  Si9  1  0.249755  0.916863  0.416547  1
  Si  Si10  1  0.249993  0.916880  0.750213  1
  Si  Si11  1  0.583401  0.249897  0.083230  1
  Si  Si12  1  0.582974  0.250027  0.416814  1
  Si  Si13  1  0.583486  0.249861  0.749908  1
  Si  Si14  1  0.582974  0.583481  0.083360  1
  Si  Si15  1  0.583297  0.583264  0.416597  1
  Si  Si16  1  0.583367  0.583119  0.750161  1
  Si  Si17  1  0.583486  0.916575  0.083194  1
  Si  Si18  1  0.583367  0.916828  0.416452  1
  Si  Si19  1  0.583513  0.916777  0.750110  1
  Si  Si20  1  0.912891  0.249483  0.082814  1
  Si  Si21  1  0.916257  0.250357  0.417454  1
  Si  Si22  1  0.916745  0.250208  0.750332  1
  Si  Si23  1  0.916257  0.584121  0.083691  1
  Si  Si24  1  0.916561  0.583125  0.416458  1
  Si  Si25  1  0.916838  0.583116  0.750036  1
  Si  Si26  1  0.916746  0.916998  0.083542  1
  Si  Si27  1  0.916838  0.916702  0.416450  1
  Si  Si28  1  0.916884  0.916493  0.749827  1
  Si  Si29  1  0.000368  0.999194  0.999587  1
  Si  Si30  1  0.999696  0.000454  0.333167  1
  Si  Si31  1  0.000053  0.999836  0.666316  1
  Si  Si32  1  0.999435  0.333898  0.996247  1
  Si  Si33  1  0.999967  0.333366  0.334788  1
  Si  Si34  1  0.000004  0.333330  0.666720  1
  Si  Si35  1  0.000205  0.666357  0.000065  1
  Si  Si36  1  0.999890  0.667102  0.333704  1
  Si  Si37  1  0.999921  0.666721  0.666799  1
  Si  Si38  1  0.333126  0.000207  0.999940  1
  Si  Si39  1  0.333438  0.999896  0.333074  1
  Si  Si40  1  0.333253  0.000081  0.666652  1
  Si  Si41  1  0.334139  0.332965  0.999587  1
  Si  Si42  1  0.332879  0.333637  0.333167  1
  Si  Si43  1  0.333498  0.333280  0.666316  1
  Si  Si44  1  0.333139  0.666612  0.000170  1
  Si  Si45  1  0.333197  0.666469  0.333116  1
  Si  Si46  1  0.333132  0.666536  0.666700  1
  Si  Si47  1  0.666722  0.000194  0.000170  1
  Si  Si48  1  0.666864  0.000136  0.333116  1
  Si  Si49  1  0.666797  0.000201  0.666700  1
  Si  Si50  1  0.666976  0.333129  0.000065  1
  Si  Si51  1  0.666231  0.333443  0.333704  1
  Si  Si52  1  0.666612  0.333413  0.666799  1
  Si  Si53  1  0.666479  0.666855  0.000204  1
  Si  Si54  1  0.666831  0.666503  0.333338  1
  Si  Si55  1  0.666712  0.666621  0.666838  1
  Si  Si56  1  0.250617  0.082716  0.248909  1
  Si  Si57  1  0.249994  0.083340  0.583134  1
  Si  Si58  1  0.249250  0.084083  0.917417  1
  Si  Si59  1  0.248912  0.417609  0.250942  1
  Si  Si60  1  0.249754  0.416439  0.583144  1
  Si  Si61  1  0.250617  0.415576  0.916049  1
  Si  Si62  1  0.249754  0.749810  0.249772  1
  Si  Si63  1  0.249864  0.750132  0.583466  1
  Si  Si64  1  0.249994  0.749801  0.916673  1
  Si  Si65  1  0.583523  0.083579  0.249772  1
  Si  Si66  1  0.583201  0.083469  0.583465  1
  Si  Si67  1  0.583532  0.083339  0.916673  1
  Si  Si68  1  0.583160  0.416707  0.250040  1
  Si  Si69  1  0.583448  0.416537  0.583219  1
  Si  Si70  1  0.583523  0.416439  0.916913  1
  Si  Si71  1  0.583448  0.749886  0.249870  1
  Si  Si72  1  0.583278  0.750056  0.583389  1
  Si  Si73  1  0.583201  0.750132  0.916802  1
  Si  Si74  1  0.915724  0.084421  0.250942  1
  Si  Si75  1  0.916895  0.083579  0.583144  1
  Si  Si76  1  0.917756  0.082715  0.916048  1
  Si  Si77  1  0.917828  0.415505  0.248838  1
  Si  Si78  1  0.916627  0.416707  0.583506  1
  Si  Si79  1  0.915724  0.417609  0.917754  1
  Si  Si80  1  0.916627  0.750173  0.250040  1
  Si  Si81  1  0.916796  0.749886  0.583219  1
  Si  Si82  1  0.916895  0.749810  0.916913  1
  Si  Si83  1  0.999435  0.162915  0.167231  1
  Si  Si84  1  0.000205  0.166732  0.499691  1
  Si  Si85  1  0.000368  0.166253  0.832528  1
  Si  Si86  1  0.999968  0.501454  0.166699  1
  Si  Si87  1  0.999890  0.500371  0.500436  1
  Si  Si88  1  0.999696  0.499834  0.833787  1
  Si  Si89  1  0.000004  0.833387  0.166663  1
  Si  Si90  1  0.999920  0.833465  0.500055  1
  Si  Si91  1  0.000053  0.832982  0.833169  1
  Si  Si92  1  0.334139  0.166253  0.166299  1
  Si  Si93  1  0.333139  0.166837  0.499945  1
  Si  Si94  1  0.333126  0.166607  0.833541  1
  Si  Si95  1  0.332879  0.499834  0.166970  1
  Si  Si96  1  0.333197  0.499783  0.499803  1
  Si  Si97  1  0.333438  0.499741  0.833229  1
  Si  Si98  1  0.333497  0.832982  0.166613  1
  Si  Si99  1  0.333132  0.833367  0.499870  1
  Si  Si100  1  0.333253  0.833318  0.833414  1
  Si  Si101  1  0.666976  0.166732  0.166462  1
  Si  Si102  1  0.666478  0.166871  0.500188  1
  Si  Si103  1  0.666722  0.166837  0.833528  1
  Si  Si104  1  0.666231  0.500371  0.166776  1
  Si  Si105  1  0.666831  0.500004  0.499836  1
  Si  Si106  1  0.666864  0.499783  0.833469  1
  Si  Si107  1  0.666612  0.833465  0.166746  1
  Si  Si108  1  0.666712  0.833504  0.499954  1
  Si  Si109  1  0.666797  0.833367  0.833535  1
  Si  Si110  1  0.083851  0.249482  0.253776  1
  Si  Si111  1  0.083437  0.249897  0.583265  1
  Si  Si112  1  0.083335  0.249998  0.915217  1
  Si  Si113  1  0.082976  0.584121  0.250410  1
  Si  Si114  1  0.083307  0.583481  0.583693  1
  Si  Si115  1  0.083633  0.582856  0.916830  1
  Si  Si116  1  0.083125  0.916999  0.249921  1
  Si  Si117  1  0.083472  0.916575  0.583180  1
  Si  Si118  1  0.083448  0.916207  0.916284  1
  Si  Si119  1  0.416334  0.250208  0.249921  1
  Si  Si120  1  0.416759  0.249861  0.583180  1
  Si  Si121  1  0.417127  0.249885  0.916284  1
  Si  Si122  1  0.416631  0.583116  0.249829  1
  Si  Si123  1  0.416506  0.583119  0.583299  1
  Si  Si124  1  0.416471  0.583214  0.916912  1
  Si  Si125  1  0.416839  0.916495  0.249783  1
  Si  Si126  1  0.416557  0.916777  0.583154  1
  Si  Si127  1  0.416454  0.916880  0.916674  1
  Si  Si128  1  0.749213  0.250357  0.250410  1
  Si  Si129  1  0.749852  0.250026  0.583693  1
  Si  Si130  1  0.750477  0.249701  0.916830  1
  Si  Si131  1  0.750208  0.583125  0.250106  1
  Si  Si132  1  0.750069  0.583264  0.583370  1
  Si  Si133  1  0.749867  0.583466  0.916979  1
  Si  Si134  1  0.750217  0.916702  0.249829  1
  Si  Si135  1  0.750214  0.916828  0.583299  1
  Si  Si136  1  0.750119  0.916863  0.916912  1
  Si  Si137  1  0.167080  0.999194  0.166299  1
  Si  Si138  1  0.166496  0.000194  0.499945  1
  Si  Si139  1  0.166726  0.000207  0.833541  1
  Si  Si140  1  0.170418  0.333898  0.167231  1
  Si  Si141  1  0.166601  0.333129  0.499691  1
  Si  Si142  1  0.167080  0.332965  0.832527  1
  Si  Si143  1  0.166601  0.666357  0.166462  1
  Si  Si144  1  0.166463  0.666855  0.500188  1
  Si  Si145  1  0.166496  0.666612  0.833528  1
  Si  Si146  1  0.500351  0.999836  0.166613  1
  Si  Si147  1  0.499967  0.000201  0.499870  1
  Si  Si148  1  0.500015  0.000081  0.833414  1
  Si  Si149  1  0.499947  0.333330  0.166663  1
  Si  Si150  1  0.499868  0.333413  0.500055  1
  Si  Si151  1  0.500351  0.333280  0.833169  1
  Si  Si152  1  0.499868  0.666721  0.166746  1
  Si  Si153  1  0.499829  0.666621  0.499955  1
  Si  Si154  1  0.499967  0.666536  0.833535  1
  Si  Si155  1  0.833499  0.000454  0.166970  1
  Si  Si156  1  0.833551  0.000136  0.499803  1
  Si  Si157  1  0.833593  0.999894  0.833228  1
  Si  Si158  1  0.831879  0.333366  0.166699  1
  Si  Si159  1  0.832963  0.333443  0.500436  1
  Si  Si160  1  0.833499  0.333637  0.833787  1
  Si  Si161  1  0.832963  0.667102  0.166777  1
  Si  Si162  1  0.833329  0.666503  0.499836  1
  Si  Si163  1  0.833551  0.666469  0.833469  1
  Si  Si164  1  0.083334  0.081885  0.083333  1
  Si  Si165  1  0.083633  0.083496  0.416190  1
  Si  Si166  1  0.083448  0.082950  0.749540  1
  Si  Si167  1  0.083851  0.420442  0.082814  1
  Si  Si168  1  0.082976  0.417076  0.417454  1
  Si  Si169  1  0.083125  0.416588  0.750332  1
  Si  Si170  1  0.083437  0.749932  0.083230  1
  Si  Si171  1  0.083307  0.750359  0.416814  1
  Si  Si172  1  0.083472  0.749847  0.749908  1
  Si  Si173  1  0.417126  0.082950  0.083219  1
  Si  Si174  1  0.416471  0.083579  0.416547  1
  Si  Si175  1  0.416454  0.083340  0.750213  1
  Si  Si176  1  0.416334  0.416588  0.083541  1
  Si  Si177  1  0.416631  0.416496  0.416450  1
  Si  Si178  1  0.416839  0.416450  0.749828  1
  Si  Si179  1  0.416759  0.749847  0.083194  1
  Si  Si180  1  0.416506  0.749966  0.416452  1
  Si  Si181  1  0.416557  0.749821  0.750110  1
  Si  Si182  1  0.750477  0.083497  0.083034  1
  Si  Si183  1  0.749866  0.083645  0.416800  1
  Si  Si184  1  0.750119  0.083578  0.750196  1
  Si  Si185  1  0.749212  0.417076  0.083690  1
  Si  Si186  1  0.750209  0.416773  0.416459  1
  Si  Si187  1  0.750217  0.416496  0.750036  1
  Si  Si188  1  0.749853  0.750359  0.083360  1
  Si  Si189  1  0.750069  0.750037  0.416597  1
  Si  Si190  1  0.750214  0.749966  0.750161  1
  Si  Si191  1  0.165473  0.167861  0.001194  1
  Si  Si192  1  0.167585  0.165748  0.332220  1
  Si  Si193  1  0.166757  0.166576  0.666560  1
  Si  Si194  1  0.167585  0.498887  0.999082  1
  Si  Si195  1  0.165590  0.500621  0.333954  1
  Si  Si196  1  0.166454  0.499749  0.666857  1
  Si  Si197  1  0.166757  0.833227  0.999910  1
  Si  Si198  1  0.166454  0.833524  0.333082  1
  Si  Si199  1  0.166600  0.833441  0.666774  1
  Si  Si200  1  0.500107  0.166577  0.999910  1
  Si  Si201  1  0.499810  0.166880  0.333083  1
  Si  Si202  1  0.499893  0.166733  0.666774  1
  Si  Si203  1  0.499810  0.499749  0.000213  1
  Si  Si204  1  0.499877  0.499974  0.333307  1
  Si  Si205  1  0.500101  0.499872  0.666566  1
  Si  Si206  1  0.499893  0.833441  0.000067  1
  Si  Si207  1  0.500101  0.833232  0.333205  1
  Si  Si208  1  0.499913  0.833420  0.666754  1
  Si  Si209  1  0.834447  0.165748  0.999082  1
  Si  Si210  1  0.832713  0.167743  0.333954  1
  Si  Si211  1  0.833584  0.166879  0.666857  1
  Si  Si212  1  0.832713  0.500620  0.001076  1
  Si  Si213  1  0.834059  0.499274  0.332608  1
  Si  Si214  1  0.833359  0.499974  0.666790  1
  Si  Si215  1  0.833584  0.833524  0.000213  1
  Si  Si216  1  0.833359  0.833457  0.333307  1
  Si  Si217  1  0.833462  0.833232  0.666565  1
