# 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  0.000091  0.333249  0.166575  1
  Si  Si2  1  0.247721  0.250461  0.083786  1
  Si  Si3  1  0.250173  0.250052  0.416372  1
  Si  Si4  1  0.249510  0.250159  0.750166  1
  Si  Si5  1  0.250200  0.583055  0.083382  1
  Si  Si6  1  0.249873  0.582923  0.416249  1
  Si  Si7  1  0.250041  0.582848  0.749810  1
  Si  Si8  1  0.249510  0.916845  0.083488  1
  Si  Si9  1  0.250042  0.916479  0.416178  1
  Si  Si10  1  0.249821  0.916589  0.749915  1
  Si  Si11  1  0.583798  0.249875  0.083226  1
  Si  Si12  1  0.583854  0.250223  0.415791  1
  Si  Si13  1  0.583733  0.249872  0.749924  1
  Si  Si14  1  0.583860  0.582461  0.083564  1
  Si  Si15  1  0.583539  0.582966  0.416299  1
  Si  Si16  1  0.583685  0.582757  0.749987  1
  Si  Si17  1  0.583738  0.916591  0.083203  1
  Si  Si18  1  0.583673  0.916639  0.416099  1
  Si  Si19  1  0.583735  0.916605  0.749943  1
  Si  Si20  1  0.914473  0.247582  0.080901  1
  Si  Si21  1  0.917481  0.250533  0.414096  1
  Si  Si22  1  0.917013  0.249878  0.750025  1
  Si  Si23  1  0.917494  0.580765  0.083875  1
  Si  Si24  1  0.917055  0.583179  0.416517  1
  Si  Si25  1  0.917169  0.582469  0.750268  1
  Si  Si26  1  0.917021  0.916687  0.083221  1
  Si  Si27  1  0.917160  0.916934  0.415801  1
  Si  Si28  1  0.917106  0.916602  0.749932  1
  Si  Si29  1  0.000209  0.000785  0.000605  1
  Si  Si30  1  0.000198  0.000751  0.332302  1
  Si  Si31  1  0.000247  0.000274  0.666414  1
  Si  Si32  1  0.000227  0.333113  0.002643  1
  Si  Si33  1  0.000107  0.333226  0.330421  1
  Si  Si34  1  0.000205  0.333124  0.666463  1
  Si  Si35  1  0.000232  0.665482  0.000610  1
  Si  Si36  1  0.000108  0.665577  0.332385  1
  Si  Si37  1  0.000162  0.665981  0.666537  1
  Si  Si38  1  0.333298  0.000039  0.000249  1
  Si  Si39  1  0.333547  0.999784  0.332692  1
  Si  Si40  1  0.333296  0.000039  0.666472  1
  Si  Si41  1  0.332549  0.333127  0.000599  1
  Si  Si42  1  0.332575  0.333131  0.332303  1
  Si  Si43  1  0.333056  0.333092  0.666415  1
  Si  Si44  1  0.333564  0.666404  0.000083  1
  Si  Si45  1  0.333183  0.666222  0.332730  1
  Si  Si46  1  0.333263  0.666219  0.666426  1
  Si  Si47  1  0.666940  0.999776  0.000088  1
  Si  Si48  1  0.667110  0.000150  0.332731  1
  Si  Si49  1  0.667117  0.000072  0.666426  1
  Si  Si50  1  0.667851  0.333099  0.000616  1
  Si  Si51  1  0.667753  0.333229  0.332388  1
  Si  Si52  1  0.667355  0.333172  0.666535  1
  Si  Si53  1  0.667132  0.666203  0.000383  1
  Si  Si54  1  0.666766  0.666567  0.332846  1
  Si  Si55  1  0.667091  0.666244  0.666528  1
  Si  Si56  1  0.250134  0.083202  0.249507  1
  Si  Si57  1  0.250027  0.083308  0.583001  1
  Si  Si58  1  0.250073  0.083266  0.916574  1
  Si  Si59  1  0.247736  0.415748  0.249073  1
  Si  Si60  1  0.249489  0.416075  0.582736  1
  Si  Si61  1  0.250137  0.416180  0.916524  1
  Si  Si62  1  0.249502  0.749403  0.249413  1
  Si  Si63  1  0.249784  0.749616  0.582942  1
  Si  Si64  1  0.250028  0.749686  0.916637  1
  Si  Si65  1  0.583925  0.083830  0.249419  1
  Si  Si66  1  0.583718  0.083548  0.582944  1
  Si  Si67  1  0.583656  0.083308  0.916634  1
  Si  Si68  1  0.583682  0.416399  0.249737  1
  Si  Si69  1  0.583590  0.416318  0.583076  1
  Si  Si70  1  0.583932  0.416074  0.917178  1
  Si  Si71  1  0.583598  0.749737  0.249656  1
  Si  Si72  1  0.583674  0.749655  0.582993  1
  Si  Si73  1  0.583719  0.749614  0.916893  1
  Si  Si74  1  0.917587  0.085601  0.249076  1
  Si  Si75  1  0.917252  0.083832  0.582738  1
  Si  Si76  1  0.917153  0.083197  0.916530  1
  Si  Si77  1  0.914449  0.418885  0.252243  1
  Si  Si78  1  0.916930  0.416399  0.582989  1
  Si  Si79  1  0.917584  0.415750  0.918921  1
  Si  Si80  1  0.916936  0.749649  0.249737  1
  Si  Si81  1  0.917018  0.749743  0.583073  1
  Si  Si82  1  0.917257  0.749403  0.917171  1
  Si  Si83  1  0.000224  0.169330  0.166434  1
  Si  Si84  1  0.000221  0.167269  0.498818  1
  Si  Si85  1  0.000214  0.167264  0.834114  1
  Si  Si86  1  0.000102  0.497074  0.166567  1
  Si  Si87  1  0.000103  0.499052  0.498922  1
  Si  Si88  1  0.000204  0.498975  0.834088  1
  Si  Si89  1  0.000215  0.833121  0.166456  1
  Si  Si90  1  0.000156  0.833199  0.499306  1
  Si  Si91  1  0.000247  0.833089  0.833611  1
  Si  Si92  1  0.332550  0.167272  0.166451  1
  Si  Si93  1  0.333550  0.166762  0.499719  1
  Si  Si94  1  0.333306  0.166929  0.833354  1
  Si  Si95  1  0.332585  0.498973  0.166465  1
  Si  Si96  1  0.333167  0.499389  0.499553  1
  Si  Si97  1  0.333549  0.499368  0.833116  1
  Si  Si98  1  0.333055  0.833091  0.166421  1
  Si  Si99  1  0.333265  0.833098  0.499552  1
  Si  Si100  1  0.333305  0.833145  0.833360  1
  Si  Si101  1  0.667848  0.167265  0.166449  1
  Si  Si102  1  0.667129  0.167048  0.499530  1
  Si  Si103  1  0.666942  0.166759  0.833111  1
  Si  Si104  1  0.667754  0.499051  0.166575  1
  Si  Si105  1  0.666760  0.499509  0.499906  1
  Si  Si106  1  0.667116  0.499381  0.833499  1
  Si  Si107  1  0.667356  0.833197  0.166509  1
  Si  Si108  1  0.667089  0.833186  0.499580  1
  Si  Si109  1  0.667115  0.833092  0.833412  1
  Si  Si110  1  0.085757  0.247581  0.252183  1
  Si  Si111  1  0.083439  0.249884  0.582874  1
  Si  Si112  1  0.082877  0.250462  0.918935  1
  Si  Si113  1  0.082801  0.580766  0.249171  1
  Si  Si114  1  0.083107  0.582468  0.582809  1
  Si  Si115  1  0.083285  0.583049  0.916483  1
  Si  Si116  1  0.083449  0.916699  0.249646  1
  Si  Si117  1  0.083461  0.916587  0.582928  1
  Si  Si118  1  0.083174  0.916846  0.917155  1
  Si  Si119  1  0.416634  0.249890  0.249648  1
  Si  Si120  1  0.416738  0.249871  0.582928  1
  Si  Si121  1  0.416493  0.250155  0.917159  1
  Si  Si122  1  0.416407  0.582470  0.249502  1
  Si  Si123  1  0.416682  0.582757  0.582990  1
  Si  Si124  1  0.416858  0.582848  0.916623  1
  Si  Si125  1  0.416738  0.916597  0.249564  1
  Si  Si126  1  0.416719  0.916614  0.582937  1
  Si  Si127  1  0.416738  0.916599  0.916848  1
  Si  Si128  1  0.752570  0.250535  0.249178  1
  Si  Si129  1  0.750865  0.250223  0.582808  1
  Si  Si130  1  0.750285  0.250047  0.916491  1
  Si  Si131  1  0.750164  0.583173  0.249622  1
  Si  Si132  1  0.750369  0.582956  0.583139  1
  Si  Si133  1  0.750417  0.582917  0.916799  1
  Si  Si134  1  0.750863  0.916925  0.249506  1
  Si  Si135  1  0.750571  0.916640  0.582992  1
  Si  Si136  1  0.750488  0.916477  0.916625  1
  Si  Si137  1  0.166065  0.000789  0.166451  1
  Si  Si138  1  0.166571  0.999777  0.499725  1
  Si  Si139  1  0.166409  0.000028  0.833353  1
  Si  Si140  1  0.164006  0.333112  0.166431  1
  Si  Si141  1  0.166055  0.333101  0.498815  1
  Si  Si142  1  0.166065  0.333127  0.834110  1
  Si  Si143  1  0.166069  0.665486  0.166439  1
  Si  Si144  1  0.166285  0.666205  0.499532  1
  Si  Si145  1  0.166579  0.666393  0.833111  1
  Si  Si146  1  0.500250  0.000276  0.166421  1
  Si  Si147  1  0.500235  0.000071  0.499545  1
  Si  Si148  1  0.500192  0.000032  0.833362  1
  Si  Si149  1  0.500210  0.333126  0.166453  1
  Si  Si150  1  0.500131  0.333174  0.499311  1
  Si  Si151  1  0.500248  0.333088  0.833616  1
  Si  Si152  1  0.500136  0.665982  0.166510  1
  Si  Si153  1  0.500140  0.666242  0.499580  1
  Si  Si154  1  0.500251  0.666214  0.833412  1
  Si  Si155  1  0.834366  0.000747  0.166470  1
  Si  Si156  1  0.833935  0.000155  0.499556  1
  Si  Si157  1  0.833970  0.999784  0.833117  1
  Si  Si158  1  0.836256  0.333237  0.166571  1
  Si  Si159  1  0.834278  0.333229  0.498917  1
  Si  Si160  1  0.834359  0.333125  0.834090  1
  Si  Si161  1  0.834290  0.665577  0.166578  1
  Si  Si162  1  0.833823  0.666570  0.499910  1
  Si  Si163  1  0.833946  0.666219  0.833495  1
  Si  Si164  1  0.082875  0.085620  0.083787  1
  Si  Si165  1  0.083273  0.083147  0.416379  1
  Si  Si166  1  0.083178  0.083822  0.750163  1
  Si  Si167  1  0.085757  0.418860  0.080892  1
  Si  Si168  1  0.082800  0.415849  0.414097  1
  Si  Si169  1  0.083449  0.416324  0.750021  1
  Si  Si170  1  0.083454  0.749534  0.083219  1
  Si  Si171  1  0.083111  0.749478  0.415789  1
  Si  Si172  1  0.083471  0.749603  0.749930  1
  Si  Si173  1  0.416493  0.083821  0.083491  1
  Si  Si174  1  0.416850  0.083293  0.416175  1
  Si  Si175  1  0.416744  0.083515  0.749920  1
  Si  Si176  1  0.416642  0.416322  0.083215  1
  Si  Si177  1  0.416397  0.416167  0.415801  1
  Si  Si178  1  0.416733  0.416231  0.749936  1
  Si  Si179  1  0.416743  0.749604  0.083205  1
  Si  Si180  1  0.416690  0.749659  0.416101  1
  Si  Si181  1  0.416734  0.749597  0.749947  1
  Si  Si182  1  0.750286  0.083140  0.083393  1
  Si  Si183  1  0.750408  0.083457  0.416254  1
  Si  Si184  1  0.750487  0.083294  0.749813  1
  Si  Si185  1  0.752567  0.415845  0.083875  1
  Si  Si186  1  0.750153  0.416279  0.416515  1
  Si  Si187  1  0.750863  0.416160  0.750270  1
  Si  Si188  1  0.750880  0.749472  0.083564  1
  Si  Si189  1  0.750368  0.749786  0.416301  1
  Si  Si190  1  0.750572  0.749655  0.749990  1
  Si  Si191  1  0.166797  0.166542  0.999857  1
  Si  Si192  1  0.167240  0.166079  0.333518  1
  Si  Si193  1  0.166543  0.166790  0.666330  1
  Si  Si194  1  0.167260  0.500198  0.999415  1
  Si  Si195  1  0.166684  0.499634  0.332960  1
  Si  Si196  1  0.166509  0.499434  0.666544  1
  Si  Si197  1  0.166541  0.833004  0.000126  1
  Si  Si198  1  0.166508  0.833221  0.332751  1
  Si  Si199  1  0.166473  0.833115  0.666445  1
  Si  Si200  1  0.500333  0.166787  0.000126  1
  Si  Si201  1  0.500110  0.166828  0.332753  1
  Si  Si202  1  0.500216  0.166862  0.666446  1
  Si  Si203  1  0.500119  0.499431  0.000158  1
  Si  Si204  1  0.500254  0.499495  0.332833  1
  Si  Si205  1  0.500134  0.499398  0.666537  1
  Si  Si206  1  0.500217  0.833121  0.000197  1
  Si  Si207  1  0.500137  0.833193  0.332724  1
  Si  Si208  1  0.500196  0.833137  0.666470  1
  Si  Si209  1  0.833143  0.166078  0.999425  1
  Si  Si210  1  0.833694  0.166646  0.332966  1
  Si  Si211  1  0.833902  0.166823  0.666545  1
  Si  Si212  1  0.833704  0.499632  0.999995  1
  Si  Si213  1  0.832989  0.500344  0.333683  1
  Si  Si214  1  0.833838  0.499491  0.666426  1
  Si  Si215  1  0.833911  0.833213  0.000161  1
  Si  Si216  1  0.833836  0.833074  0.332833  1
  Si  Si217  1  0.833941  0.833193  0.666539  1
