# generated using pymatgen
data_MnSi216
_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   MnSi216
_chemical_formula_sum   'Mn1 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
  Mn  Mn1  1  0.041648  0.291688  0.125019  1
  Si  Si2  1  0.252279  0.249476  0.082809  1
  Si  Si3  1  0.250378  0.249923  0.416938  1
  Si  Si4  1  0.250583  0.249764  0.749282  1
  Si  Si5  1  0.250379  0.583604  0.083256  1
  Si  Si6  1  0.249982  0.583711  0.417052  1
  Si  Si7  1  0.249904  0.583320  0.750011  1
  Si  Si8  1  0.250583  0.915949  0.083098  1
  Si  Si9  1  0.249904  0.916677  0.416653  1
  Si  Si10  1  0.250190  0.916746  0.750079  1
  Si  Si11  1  0.583272  0.249891  0.083225  1
  Si  Si12  1  0.582971  0.249962  0.417013  1
  Si  Si13  1  0.583294  0.249970  0.749702  1
  Si  Si14  1  0.582971  0.583679  0.083295  1
  Si  Si15  1  0.583264  0.583535  0.416863  1
  Si  Si16  1  0.583321  0.583295  0.750058  1
  Si  Si17  1  0.583295  0.916369  0.083302  1
  Si  Si18  1  0.583316  0.916730  0.416632  1
  Si  Si19  1  0.583472  0.916633  0.749966  1
  Si  Si20  1  0.910569  0.249172  0.082505  1
  Si  Si21  1  0.915974  0.250277  0.417808  1
  Si  Si22  1  0.916662  0.250116  0.749865  1
  Si  Si23  1  0.915974  0.584474  0.083610  1
  Si  Si24  1  0.916601  0.583356  0.416673  1
  Si  Si25  1  0.916655  0.583563  0.749739  1
  Si  Si26  1  0.916661  0.916532  0.083449  1
  Si  Si27  1  0.916656  0.916405  0.416896  1
  Si  Si28  1  0.916666  0.916335  0.749668  1
  Si  Si29  1  0.000255  0.998846  0.999335  1
  Si  Si30  1  0.999942  0.999692  0.333661  1
  Si  Si31  1  0.999962  0.999673  0.666296  1
  Si  Si32  1  0.999185  0.334149  0.993944  1
  Si  Si33  1  0.999463  0.333871  0.335607  1
  Si  Si34  1  0.999944  0.333389  0.666564  1
  Si  Si35  1  0.000105  0.666682  0.999993  1
  Si  Si36  1  0.999755  0.667420  0.333907  1
  Si  Si37  1  0.999912  0.666904  0.666605  1
  Si  Si38  1  0.333321  0.000012  0.999913  1
  Si  Si39  1  0.333709  0.999624  0.333335  1
  Si  Si40  1  0.333473  0.999860  0.666591  1
  Si  Si41  1  0.334488  0.333078  0.999335  1
  Si  Si42  1  0.333641  0.333392  0.333661  1
  Si  Si43  1  0.333660  0.333371  0.666297  1
  Si  Si44  1  0.333581  0.666931  0.000020  1
  Si  Si45  1  0.333322  0.666642  0.333324  1
  Si  Si46  1  0.333310  0.666631  0.666704  1
  Si  Si47  1  0.666403  0.999752  0.000020  1
  Si  Si48  1  0.666689  0.000011  0.333323  1
  Si  Si49  1  0.666703  0.000023  0.666703  1
  Si  Si50  1  0.666651  0.333228  0.999993  1
  Si  Si51  1  0.665913  0.333578  0.333906  1
  Si  Si52  1  0.666429  0.333420  0.666605  1
  Si  Si53  1  0.666324  0.667009  0.999988  1
  Si  Si54  1  0.666761  0.666573  0.333505  1
  Si  Si55  1  0.666550  0.666784  0.666798  1
  Si  Si56  1  0.250894  0.082439  0.249105  1
  Si  Si57  1  0.250215  0.083118  0.583239  1
  Si  Si58  1  0.249659  0.083674  0.917008  1
  Si  Si59  1  0.250462  0.418442  0.251775  1
  Si  Si60  1  0.250008  0.416634  0.583212  1
  Si  Si61  1  0.250894  0.415772  0.915773  1
  Si  Si62  1  0.250009  0.749877  0.249969  1
  Si  Si63  1  0.250118  0.750198  0.583531  1
  Si  Si64  1  0.250215  0.749905  0.916451  1
  Si  Si65  1  0.583455  0.083326  0.249967  1
  Si  Si66  1  0.583136  0.083216  0.583531  1
  Si  Si67  1  0.583428  0.083118  0.916451  1
  Si  Si68  1  0.582973  0.416922  0.250256  1
  Si  Si69  1  0.583508  0.416865  0.583159  1
  Si  Si70  1  0.583454  0.416634  0.916659  1
  Si  Si71  1  0.583508  0.749826  0.250198  1
  Si  Si72  1  0.583208  0.750126  0.583459  1
  Si  Si73  1  0.583136  0.750198  0.916549  1
  Si  Si74  1  0.914892  0.082872  0.251774  1
  Si  Si75  1  0.916699  0.083325  0.583212  1
  Si  Si76  1  0.917561  0.082439  0.915772  1
  Si  Si77  1  0.917217  0.416117  0.249450  1
  Si  Si78  1  0.916411  0.416923  0.583694  1
  Si  Si79  1  0.914892  0.418442  0.916205  1
  Si  Si80  1  0.916411  0.750362  0.250256  1
  Si  Si81  1  0.916468  0.749826  0.583159  1
  Si  Si82  1  0.916698  0.749877  0.916658  1
  Si  Si83  1  0.999184  0.160610  0.167482  1
  Si  Si84  1  0.000106  0.166660  0.500016  1
  Si  Si85  1  0.000255  0.166002  0.832179  1
  Si  Si86  1  0.999463  0.502273  0.167204  1
  Si  Si87  1  0.999754  0.500575  0.500753  1
  Si  Si88  1  0.999942  0.500328  0.833026  1
  Si  Si89  1  0.999945  0.833230  0.166723  1
  Si  Si90  1  0.999913  0.833271  0.500237  1
  Si  Si91  1  0.999962  0.832963  0.833007  1
  Si  Si92  1  0.334488  0.166002  0.166412  1
  Si  Si93  1  0.333581  0.166687  0.500264  1
  Si  Si94  1  0.333321  0.166580  0.833346  1
  Si  Si95  1  0.333641  0.500327  0.166725  1
  Si  Si96  1  0.333325  0.499987  0.499980  1
  Si  Si97  1  0.333709  0.500001  0.832957  1
  Si  Si98  1  0.333660  0.832962  0.166706  1
  Si  Si99  1  0.333311  0.833370  0.499964  1
  Si  Si100  1  0.333473  0.833257  0.833194  1
  Si  Si101  1  0.666651  0.166660  0.166561  1
  Si  Si102  1  0.666325  0.166654  0.500343  1
  Si  Si103  1  0.666403  0.166686  0.833086  1
  Si  Si104  1  0.665914  0.500574  0.166913  1
  Si  Si105  1  0.666761  0.500171  0.499902  1
  Si  Si106  1  0.666688  0.499987  0.833342  1
  Si  Si107  1  0.666430  0.833272  0.166754  1
  Si  Si108  1  0.666548  0.833465  0.500119  1
  Si  Si109  1  0.666703  0.833369  0.833356  1
  Si  Si110  1  0.084162  0.249172  0.256098  1
  Si  Si111  1  0.083442  0.249891  0.583395  1
  Si  Si112  1  0.083858  0.249476  0.914388  1
  Si  Si113  1  0.083057  0.584475  0.250693  1
  Si  Si114  1  0.083372  0.583679  0.583696  1
  Si  Si115  1  0.083410  0.583605  0.916289  1
  Si  Si116  1  0.083218  0.916532  0.250005  1
  Si  Si117  1  0.083364  0.916368  0.583372  1
  Si  Si118  1  0.083569  0.915949  0.916084  1
  Si  Si119  1  0.416801  0.250116  0.250005  1
  Si  Si120  1  0.416965  0.249970  0.583372  1
  Si  Si121  1  0.417385  0.249765  0.916083  1
  Si  Si122  1  0.416928  0.583563  0.250011  1
  Si  Si123  1  0.416604  0.583299  0.583352  1
  Si  Si124  1  0.416656  0.583320  0.916762  1
  Si  Si125  1  0.416999  0.916335  0.250000  1
  Si  Si126  1  0.416700  0.916633  0.583194  1
  Si  Si127  1  0.416587  0.916746  0.916477  1
  Si  Si128  1  0.748859  0.250277  0.250692  1
  Si  Si129  1  0.749654  0.249961  0.583695  1
  Si  Si130  1  0.749729  0.249923  0.916288  1
  Si  Si131  1  0.749985  0.583348  0.250068  1
  Si  Si132  1  0.749802  0.583531  0.583400  1
  Si  Si133  1  0.749614  0.583711  0.916685  1
  Si  Si134  1  0.749769  0.916406  0.250010  1
  Si  Si135  1  0.750035  0.916730  0.583349  1
  Si  Si136  1  0.750013  0.916677  0.916762  1
  Si  Si137  1  0.167332  0.998846  0.166412  1
  Si  Si138  1  0.166647  0.999753  0.500264  1
  Si  Si139  1  0.166754  0.000012  0.833346  1
  Si  Si140  1  0.172722  0.334149  0.167482  1
  Si  Si141  1  0.166673  0.333228  0.500015  1
  Si  Si142  1  0.167332  0.333078  0.832179  1
  Si  Si143  1  0.166673  0.666683  0.166561  1
  Si  Si144  1  0.166679  0.667009  0.500343  1
  Si  Si145  1  0.166647  0.666931  0.833086  1
  Si  Si146  1  0.500371  0.999674  0.166705  1
  Si  Si147  1  0.499963  0.000023  0.499964  1
  Si  Si148  1  0.500076  0.999860  0.833194  1
  Si  Si149  1  0.500103  0.333389  0.166723  1
  Si  Si150  1  0.500062  0.333421  0.500238  1
  Si  Si151  1  0.500371  0.333370  0.833006  1
  Si  Si152  1  0.500062  0.666904  0.166754  1
  Si  Si153  1  0.499868  0.666786  0.500118  1
  Si  Si154  1  0.499964  0.666630  0.833356  1
  Si  Si155  1  0.833006  0.999692  0.166725  1
  Si  Si156  1  0.833345  0.000010  0.499978  1
  Si  Si157  1  0.833332  0.999624  0.832958  1
  Si  Si158  1  0.831060  0.333871  0.167204  1
  Si  Si159  1  0.832758  0.333580  0.500752  1
  Si  Si160  1  0.833006  0.333392  0.833026  1
  Si  Si161  1  0.832759  0.667420  0.166913  1
  Si  Si162  1  0.833163  0.666573  0.499904  1
  Si  Si163  1  0.833343  0.666642  0.833345  1
  Si  Si164  1  0.083858  0.081055  0.082809  1
  Si  Si165  1  0.083410  0.082955  0.416938  1
  Si  Si166  1  0.083569  0.082750  0.749282  1
  Si  Si167  1  0.084161  0.422763  0.082505  1
  Si  Si168  1  0.083056  0.417359  0.417808  1
  Si  Si169  1  0.083218  0.416672  0.749865  1
  Si  Si170  1  0.083442  0.750061  0.083225  1
  Si  Si171  1  0.083373  0.750362  0.417013  1
  Si  Si172  1  0.083364  0.750039  0.749702  1
  Si  Si173  1  0.417384  0.082750  0.083098  1
  Si  Si174  1  0.416656  0.083429  0.416653  1
  Si  Si175  1  0.416587  0.083144  0.750080  1
  Si  Si176  1  0.416802  0.416671  0.083449  1
  Si  Si177  1  0.416928  0.416676  0.416897  1
  Si  Si178  1  0.416999  0.416668  0.749668  1
  Si  Si179  1  0.416965  0.750039  0.083303  1
  Si  Si180  1  0.416603  0.750013  0.416630  1
  Si  Si181  1  0.416700  0.749861  0.749967  1
  Si  Si182  1  0.749730  0.082954  0.083257  1
  Si  Si183  1  0.749620  0.083352  0.417050  1
  Si  Si184  1  0.750014  0.083429  0.750011  1
  Si  Si185  1  0.748859  0.417359  0.083610  1
  Si  Si186  1  0.749977  0.416730  0.416673  1
  Si  Si187  1  0.749771  0.416677  0.749738  1
  Si  Si188  1  0.749654  0.750362  0.083294  1
  Si  Si189  1  0.749799  0.750070  0.416864  1
  Si  Si190  1  0.750038  0.750012  0.750060  1
  Si  Si191  1  0.166097  0.167237  0.000570  1
  Si  Si192  1  0.168477  0.164856  0.333784  1
  Si  Si193  1  0.166913  0.166420  0.666358  1
  Si  Si194  1  0.168478  0.500451  0.998189  1
  Si  Si195  1  0.165802  0.500864  0.334198  1
  Si  Si196  1  0.166667  0.499973  0.666659  1
  Si  Si197  1  0.166913  0.833024  0.999754  1
  Si  Si198  1  0.166668  0.833325  0.333307  1
  Si  Si199  1  0.166834  0.833489  0.666822  1
  Si  Si200  1  0.500309  0.166420  0.999753  1
  Si  Si201  1  0.500008  0.166667  0.333307  1
  Si  Si202  1  0.499845  0.166499  0.666822  1
  Si  Si203  1  0.500008  0.499974  0.000000  1
  Si  Si204  1  0.499911  0.500247  0.333580  1
  Si  Si205  1  0.500186  0.500085  0.666481  1
  Si  Si206  1  0.499845  0.833489  0.999833  1
  Si  Si207  1  0.500186  0.833147  0.333418  1
  Si  Si208  1  0.499930  0.833404  0.666737  1
  Si  Si209  1  0.832883  0.164856  0.998189  1
  Si  Si210  1  0.832469  0.167531  0.334198  1
  Si  Si211  1  0.833360  0.166666  0.666659  1
  Si  Si212  1  0.832469  0.500864  0.000865  1
  Si  Si213  1  0.833612  0.499722  0.333054  1
  Si  Si214  1  0.833086  0.500248  0.666754  1
  Si  Si215  1  0.833360  0.833325  1.000000  1
  Si  Si216  1  0.833087  0.833422  0.333580  1
  Si  Si217  1  0.833249  0.833147  0.666481  1
