# generated using pymatgen
data_FeSi215
_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   FeSi215
_chemical_formula_sum   'Fe1 Si215'
_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  0.250001  0.250000  0.083330  1
  Si  Si2  1  0.250000  0.250000  0.416421  1
  Si  Si3  1  0.250000  0.250000  0.750242  1
  Si  Si4  1  0.250001  0.583089  0.083331  1
  Si  Si5  1  0.250136  0.583017  0.416348  1
  Si  Si6  1  0.249867  0.583017  0.750313  1
  Si  Si7  1  0.250000  0.916911  0.083331  1
  Si  Si8  1  0.249865  0.916983  0.416348  1
  Si  Si9  1  0.250134  0.916983  0.750313  1
  Si  Si10  1  0.583089  0.250001  0.083331  1
  Si  Si11  1  0.583017  0.250135  0.416348  1
  Si  Si12  1  0.583018  0.249867  0.750313  1
  Si  Si13  1  0.583017  0.583017  0.083465  1
  Si  Si14  1  0.583211  0.583211  0.416558  1
  Si  Si15  1  0.583232  0.583232  0.750100  1
  Si  Si16  1  0.583017  0.916983  0.083197  1
  Si  Si17  1  0.583241  0.916759  0.416576  1
  Si  Si18  1  0.583207  0.916793  0.750124  1
  Si  Si19  1  0.916911  0.250000  0.083331  1
  Si  Si20  1  0.916983  0.249865  0.416348  1
  Si  Si21  1  0.916983  0.250134  0.750313  1
  Si  Si22  1  0.916983  0.583017  0.083197  1
  Si  Si23  1  0.916760  0.583241  0.416576  1
  Si  Si24  1  0.916793  0.583207  0.750124  1
  Si  Si25  1  0.916983  0.916983  0.083465  1
  Si  Si26  1  0.916789  0.916789  0.416558  1
  Si  Si27  1  0.916768  0.916768  0.750100  1
  Si  Si28  1  0.000565  0.000564  0.000091  1
  Si  Si29  1  0.000169  0.000169  0.333163  1
  Si  Si30  1  0.000106  0.000106  0.666806  1
  Si  Si31  1  0.000337  0.333271  0.000059  1
  Si  Si32  1  0.000565  0.333239  0.332766  1
  Si  Si33  1  0.000059  0.333382  0.666730  1
  Si  Si34  1  0.000061  0.666598  0.999949  1
  Si  Si35  1  0.000103  0.666524  0.333226  1
  Si  Si36  1  0.000017  0.666654  0.666684  1
  Si  Si37  1  0.333271  0.000337  0.000059  1
  Si  Si38  1  0.333240  0.000565  0.332766  1
  Si  Si39  1  0.333382  0.000059  0.666730  1
  Si  Si40  1  0.329138  0.329138  0.004193  1
  Si  Si41  1  0.333271  0.333271  0.332993  1
  Si  Si42  1  0.333259  0.333258  0.666738  1
  Si  Si43  1  0.333259  0.666594  0.000073  1
  Si  Si44  1  0.333384  0.666600  0.333272  1
  Si  Si45  1  0.333334  0.666519  0.666807  1
  Si  Si46  1  0.666598  0.000061  0.999949  1
  Si  Si47  1  0.666524  0.000103  0.333226  1
  Si  Si48  1  0.666654  0.000017  0.666684  1
  Si  Si49  1  0.666594  0.333259  0.000073  1
  Si  Si50  1  0.666600  0.333384  0.333272  1
  Si  Si51  1  0.666519  0.333333  0.666807  1
  Si  Si52  1  0.666509  0.666508  0.999974  1
  Si  Si53  1  0.666657  0.666657  0.333327  1
  Si  Si54  1  0.666634  0.666635  0.666762  1
  Si  Si55  1  0.249952  0.084564  0.248767  1
  Si  Si56  1  0.250000  0.083288  0.583331  1
  Si  Si57  1  0.250049  0.084564  0.917895  1
  Si  Si58  1  0.250049  0.415436  0.248767  1
  Si  Si59  1  0.250000  0.416713  0.583331  1
  Si  Si60  1  0.249951  0.415436  0.917894  1
  Si  Si61  1  0.250000  0.750000  0.250044  1
  Si  Si62  1  0.250000  0.750000  0.583296  1
  Si  Si63  1  0.250000  0.750000  0.916621  1
  Si  Si64  1  0.583063  0.083499  0.249832  1
  Si  Si65  1  0.583278  0.083295  0.583258  1
  Si  Si66  1  0.583160  0.083482  0.916810  1
  Si  Si67  1  0.583160  0.416521  0.249850  1
  Si  Si68  1  0.583277  0.416710  0.583394  1
  Si  Si69  1  0.583063  0.416500  0.916831  1
  Si  Si70  1  0.583283  0.750068  0.250037  1
  Si  Si71  1  0.583417  0.750004  0.583398  1
  Si  Si72  1  0.583271  0.749939  0.916623  1
  Si  Si73  1  0.916840  0.083479  0.249850  1
  Si  Si74  1  0.916723  0.083291  0.583394  1
  Si  Si75  1  0.916937  0.083500  0.916831  1
  Si  Si76  1  0.916938  0.416501  0.249832  1
  Si  Si77  1  0.916722  0.416705  0.583258  1
  Si  Si78  1  0.916841  0.416518  0.916810  1
  Si  Si79  1  0.916717  0.749932  0.250037  1
  Si  Si80  1  0.916583  0.749996  0.583398  1
  Si  Si81  1  0.916729  0.750062  0.916622  1
  Si  Si82  1  0.000338  0.166728  0.166602  1
  Si  Si83  1  0.000060  0.166618  0.499931  1
  Si  Si84  1  0.000566  0.166761  0.833896  1
  Si  Si85  1  0.000566  0.499434  0.166570  1
  Si  Si86  1  0.000105  0.499895  0.499848  1
  Si  Si87  1  0.000172  0.499828  0.833504  1
  Si  Si88  1  0.000060  0.833399  0.166712  1
  Si  Si89  1  0.999986  0.833318  0.500021  1
  Si  Si90  1  0.000106  0.833476  0.833440  1
  Si  Si91  1  0.329137  0.170863  0.162467  1
  Si  Si92  1  0.333258  0.166742  0.499923  1
  Si  Si93  1  0.333271  0.166729  0.833668  1
  Si  Si94  1  0.333272  0.499662  0.166602  1
  Si  Si95  1  0.333382  0.499940  0.499931  1
  Si  Si96  1  0.333240  0.499435  0.833896  1
  Si  Si97  1  0.333256  0.833406  0.166588  1
  Si  Si98  1  0.333332  0.833476  0.499850  1
  Si  Si99  1  0.333380  0.833399  0.833391  1
  Si  Si100  1  0.666594  0.166744  0.166588  1
  Si  Si101  1  0.666524  0.166668  0.499850  1
  Si  Si102  1  0.666601  0.166620  0.833391  1
  Si  Si103  1  0.666601  0.499941  0.166712  1
  Si  Si104  1  0.666682  0.500014  0.500021  1
  Si  Si105  1  0.666524  0.499894  0.833440  1
  Si  Si106  1  0.666534  0.833466  0.166646  1
  Si  Si107  1  0.666634  0.833366  0.499984  1
  Si  Si108  1  0.666652  0.833348  0.833348  1
  Si  Si109  1  0.084564  0.249952  0.248767  1
  Si  Si110  1  0.083288  0.250000  0.583331  1
  Si  Si111  1  0.084564  0.250049  0.917895  1
  Si  Si112  1  0.083499  0.583063  0.249832  1
  Si  Si113  1  0.083295  0.583278  0.583258  1
  Si  Si114  1  0.083482  0.583159  0.916810  1
  Si  Si115  1  0.083479  0.916840  0.249850  1
  Si  Si116  1  0.083291  0.916723  0.583394  1
  Si  Si117  1  0.083500  0.916937  0.916831  1
  Si  Si118  1  0.415436  0.250049  0.248767  1
  Si  Si119  1  0.416713  0.250000  0.583331  1
  Si  Si120  1  0.415437  0.249951  0.917894  1
  Si  Si121  1  0.416521  0.583160  0.249850  1
  Si  Si122  1  0.416710  0.583277  0.583394  1
  Si  Si123  1  0.416500  0.583063  0.916831  1
  Si  Si124  1  0.416501  0.916937  0.249832  1
  Si  Si125  1  0.416705  0.916722  0.583258  1
  Si  Si126  1  0.416518  0.916841  0.916810  1
  Si  Si127  1  0.750000  0.250000  0.250044  1
  Si  Si128  1  0.750000  0.250000  0.583296  1
  Si  Si129  1  0.750000  0.250000  0.916621  1
  Si  Si130  1  0.750068  0.583283  0.250037  1
  Si  Si131  1  0.750005  0.583417  0.583398  1
  Si  Si132  1  0.749939  0.583271  0.916622  1
  Si  Si133  1  0.749932  0.916717  0.250037  1
  Si  Si134  1  0.749996  0.916583  0.583398  1
  Si  Si135  1  0.750062  0.916729  0.916622  1
  Si  Si136  1  0.166728  0.000338  0.166602  1
  Si  Si137  1  0.166618  0.000060  0.499931  1
  Si  Si138  1  0.166761  0.000566  0.833896  1
  Si  Si139  1  0.170864  0.329137  0.162467  1
  Si  Si140  1  0.166742  0.333258  0.499923  1
  Si  Si141  1  0.166729  0.333271  0.833668  1
  Si  Si142  1  0.166744  0.666594  0.166588  1
  Si  Si143  1  0.166668  0.666524  0.499850  1
  Si  Si144  1  0.166620  0.666601  0.833391  1
  Si  Si145  1  0.499434  0.000566  0.166570  1
  Si  Si146  1  0.499895  0.000105  0.499848  1
  Si  Si147  1  0.499828  0.000172  0.833504  1
  Si  Si148  1  0.499663  0.333272  0.166602  1
  Si  Si149  1  0.499940  0.333382  0.499931  1
  Si  Si150  1  0.499435  0.333240  0.833896  1
  Si  Si151  1  0.499941  0.666601  0.166712  1
  Si  Si152  1  0.500014  0.666682  0.500021  1
  Si  Si153  1  0.499894  0.666524  0.833440  1
  Si  Si154  1  0.833399  0.000060  0.166712  1
  Si  Si155  1  0.833318  0.999986  0.500021  1
  Si  Si156  1  0.833477  0.000106  0.833440  1
  Si  Si157  1  0.833406  0.333256  0.166588  1
  Si  Si158  1  0.833477  0.333332  0.499850  1
  Si  Si159  1  0.833399  0.333380  0.833391  1
  Si  Si160  1  0.833466  0.666534  0.166646  1
  Si  Si161  1  0.833366  0.666634  0.499984  1
  Si  Si162  1  0.833347  0.666653  0.833348  1
  Si  Si163  1  0.084564  0.084564  0.083378  1
  Si  Si164  1  0.083480  0.083480  0.416491  1
  Si  Si165  1  0.083500  0.083499  0.750269  1
  Si  Si166  1  0.084564  0.415436  0.083281  1
  Si  Si167  1  0.083500  0.416500  0.416394  1
  Si  Si168  1  0.083480  0.416520  0.750171  1
  Si  Si169  1  0.083288  0.749996  0.083324  1
  Si  Si170  1  0.083288  0.749936  0.416610  1
  Si  Si171  1  0.083298  0.750073  0.750055  1
  Si  Si172  1  0.415436  0.084564  0.083281  1
  Si  Si173  1  0.416500  0.083500  0.416394  1
  Si  Si174  1  0.416520  0.083480  0.750171  1
  Si  Si175  1  0.415437  0.415437  0.083378  1
  Si  Si176  1  0.416520  0.416520  0.416491  1
  Si  Si177  1  0.416501  0.416501  0.750269  1
  Si  Si178  1  0.416712  0.750004  0.083324  1
  Si  Si179  1  0.416712  0.750065  0.416610  1
  Si  Si180  1  0.416702  0.749927  0.750055  1
  Si  Si181  1  0.749997  0.083288  0.083324  1
  Si  Si182  1  0.749936  0.083288  0.416610  1
  Si  Si183  1  0.750073  0.083298  0.750055  1
  Si  Si184  1  0.750004  0.416712  0.083324  1
  Si  Si185  1  0.750065  0.416712  0.416610  1
  Si  Si186  1  0.749927  0.416702  0.750055  1
  Si  Si187  1  0.750000  0.750000  0.083252  1
  Si  Si188  1  0.750000  0.750000  0.416772  1
  Si  Si189  1  0.749971  0.749988  0.750031  1
  Si  Si190  1  0.170864  0.170863  0.004194  1
  Si  Si191  1  0.166729  0.166729  0.332993  1
  Si  Si192  1  0.166742  0.166742  0.666738  1
  Si  Si193  1  0.166729  0.499663  0.000059  1
  Si  Si194  1  0.166761  0.499436  0.332766  1
  Si  Si195  1  0.166618  0.499941  0.666730  1
  Si  Si196  1  0.166741  0.833406  0.000073  1
  Si  Si197  1  0.166617  0.833400  0.333272  1
  Si  Si198  1  0.166667  0.833481  0.666807  1
  Si  Si199  1  0.499664  0.166729  0.000059  1
  Si  Si200  1  0.499436  0.166761  0.332766  1
  Si  Si201  1  0.499941  0.166618  0.666730  1
  Si  Si202  1  0.499436  0.499436  0.000091  1
  Si  Si203  1  0.499832  0.499831  0.333163  1
  Si  Si204  1  0.499894  0.499894  0.666806  1
  Si  Si205  1  0.499939  0.833402  0.999949  1
  Si  Si206  1  0.499897  0.833476  0.333226  1
  Si  Si207  1  0.499983  0.833346  0.666684  1
  Si  Si208  1  0.833406  0.166741  0.000073  1
  Si  Si209  1  0.833401  0.166617  0.333272  1
  Si  Si210  1  0.833481  0.166667  0.666807  1
  Si  Si211  1  0.833402  0.499939  0.999949  1
  Si  Si212  1  0.833476  0.499897  0.333226  1
  Si  Si213  1  0.833346  0.499983  0.666684  1
  Si  Si214  1  0.833492  0.833492  0.999974  1
  Si  Si215  1  0.833344  0.833344  0.333327  1
  Si  Si216  1  0.833362  0.833362  0.666765  1
