# 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  0.083354  0.249898  0.083324  1
  Si  Si2  1  0.251612  0.249983  0.083349  1
  Si  Si3  1  0.249832  0.250011  0.417223  1
  Si  Si4  1  0.249898  0.249944  0.749582  1
  Si  Si5  1  0.249864  0.583736  0.083456  1
  Si  Si6  1  0.250227  0.583635  0.417053  1
  Si  Si7  1  0.249887  0.583427  0.749974  1
  Si  Si8  1  0.249898  0.916165  0.083311  1
  Si  Si9  1  0.249954  0.916494  0.416751  1
  Si  Si10  1  0.250248  0.916171  0.749645  1
  Si  Si11  1  0.583260  0.249963  0.083481  1
  Si  Si12  1  0.583335  0.249938  0.416813  1
  Si  Si13  1  0.583179  0.249919  0.750168  1
  Si  Si14  1  0.583304  0.583230  0.083495  1
  Si  Si15  1  0.583329  0.583253  0.416799  1
  Si  Si16  1  0.583229  0.583412  0.749887  1
  Si  Si17  1  0.583369  0.916695  0.083400  1
  Si  Si18  1  0.583235  0.916586  0.416829  1
  Si  Si19  1  0.583240  0.916480  0.750007  1
  Si  Si20  1  0.914979  0.249832  0.083325  1
  Si  Si21  1  0.916716  0.249869  0.417180  1
  Si  Si22  1  0.916640  0.249968  0.749611  1
  Si  Si23  1  0.916635  0.583718  0.083303  1
  Si  Si24  1  0.916582  0.583287  0.416801  1
  Si  Si25  1  0.916270  0.583535  0.749677  1
  Si  Si26  1  0.916734  0.916108  0.083322  1
  Si  Si27  1  0.916303  0.916277  0.417041  1
  Si  Si28  1  0.916601  0.916422  0.749852  1
  Si  Si29  1  0.999469  0.999712  0.999388  1
  Si  Si30  1  0.000877  0.999129  0.334137  1
  Si  Si31  1  0.999893  0.999757  0.666580  1
  Si  Si32  1  0.997178  0.335975  0.997236  1
  Si  Si33  1  0.999321  0.333876  0.333528  1
  Si  Si34  1  0.999948  0.333220  0.666500  1
  Si  Si35  1  0.999861  0.666851  0.000002  1
  Si  Si36  1  0.999774  0.666653  0.333461  1
  Si  Si37  1  0.000044  0.666656  0.666579  1
  Si  Si38  1  0.334113  0.999178  0.000908  1
  Si  Si39  1  0.333724  0.999604  0.333836  1
  Si  Si40  1  0.333329  0.999886  0.666616  1
  Si  Si41  1  0.333403  0.334033  0.999502  1
  Si  Si42  1  0.334004  0.332421  0.334204  1
  Si  Si43  1  0.333377  0.333526  0.666672  1
  Si  Si44  1  0.333387  0.666691  0.999977  1
  Si  Si45  1  0.333267  0.666790  0.333404  1
  Si  Si46  1  0.333290  0.666581  0.666670  1
  Si  Si47  1  0.666539  0.999805  0.999797  1
  Si  Si48  1  0.666544  0.999922  0.333409  1
  Si  Si49  1  0.666571  0.999857  0.666722  1
  Si  Si50  1  0.666316  0.333252  0.000001  1
  Si  Si51  1  0.666608  0.333277  0.333486  1
  Si  Si52  1  0.666482  0.333014  0.666661  1
  Si  Si53  1  0.666556  0.666645  0.000248  1
  Si  Si54  1  0.666532  0.666591  0.333360  1
  Si  Si55  1  0.666679  0.666522  0.666553  1
  Si  Si56  1  0.250465  0.082851  0.250537  1
  Si  Si57  1  0.250151  0.083176  0.583316  1
  Si  Si58  1  0.252710  0.080551  0.913929  1
  Si  Si59  1  0.252622  0.419329  0.252744  1
  Si  Si60  1  0.249926  0.416724  0.583484  1
  Si  Si61  1  0.250383  0.417163  0.916187  1
  Si  Si62  1  0.250014  0.750046  0.250111  1
  Si  Si63  1  0.250048  0.749819  0.583320  1
  Si  Si64  1  0.249932  0.749795  0.916694  1
  Si  Si65  1  0.583273  0.083255  0.250218  1
  Si  Si66  1  0.583300  0.083183  0.583508  1
  Si  Si67  1  0.583183  0.083161  0.916632  1
  Si  Si68  1  0.583333  0.416571  0.250219  1
  Si  Si69  1  0.583460  0.416716  0.583363  1
  Si  Si70  1  0.583237  0.416783  0.916596  1
  Si  Si71  1  0.583289  0.750038  0.250205  1
  Si  Si72  1  0.583216  0.749843  0.583308  1
  Si  Si73  1  0.583270  0.749835  0.916678  1
  Si  Si74  1  0.913981  0.080524  0.252691  1
  Si  Si75  1  0.916578  0.083131  0.583439  1
  Si  Si76  1  0.916194  0.082708  0.916195  1
  Si  Si77  1  0.916149  0.417063  0.250417  1
  Si  Si78  1  0.916525  0.416540  0.583323  1
  Si  Si79  1  0.913862  0.419200  0.914004  1
  Si  Si80  1  0.916461  0.749839  0.250116  1
  Si  Si81  1  0.916481  0.749955  0.583371  1
  Si  Si82  1  0.916537  0.749977  0.916499  1
  Si  Si83  1  0.997253  0.163798  0.169441  1
  Si  Si84  1  0.999975  0.166590  0.500300  1
  Si  Si85  1  0.999352  0.165983  0.833149  1
  Si  Si86  1  0.999364  0.500137  0.167243  1
  Si  Si87  1  0.999784  0.499972  0.500117  1
  Si  Si88  1  0.000777  0.500654  0.832604  1
  Si  Si89  1  0.999900  0.833001  0.166708  1
  Si  Si90  1  0.000115  0.833227  0.500154  1
  Si  Si91  1  0.999864  0.833182  0.833186  1
  Si  Si92  1  0.333475  0.166081  0.167309  1
  Si  Si93  1  0.333447  0.166597  0.500168  1
  Si  Si94  1  0.334109  0.167607  0.832638  1
  Si  Si95  1  0.334090  0.500803  0.165905  1
  Si  Si96  1  0.333233  0.499960  0.500187  1
  Si  Si97  1  0.333679  0.500455  0.832978  1
  Si  Si98  1  0.333426  0.833315  0.166885  1
  Si  Si99  1  0.333235  0.833290  0.500103  1
  Si  Si100  1  0.333218  0.833073  0.833396  1
  Si  Si101  1  0.666422  0.166578  0.166705  1
  Si  Si102  1  0.666552  0.166741  0.500216  1
  Si  Si103  1  0.666479  0.166376  0.833253  1
  Si  Si104  1  0.666511  0.499925  0.166862  1
  Si  Si105  1  0.666720  0.499899  0.499989  1
  Si  Si106  1  0.666485  0.500044  0.833286  1
  Si  Si107  1  0.666580  0.833173  0.166523  1
  Si  Si108  1  0.666598  0.833219  0.499984  1
  Si  Si109  1  0.666503  0.833139  0.833332  1
  Si  Si110  1  0.083270  0.249964  0.251698  1
  Si  Si111  1  0.083302  0.249849  0.583470  1
  Si  Si112  1  0.083292  0.249913  0.914979  1
  Si  Si113  1  0.083305  0.583739  0.249963  1
  Si  Si114  1  0.083191  0.583215  0.583330  1
  Si  Si115  1  0.083140  0.583690  0.916812  1
  Si  Si116  1  0.083253  0.916140  0.249906  1
  Si  Si117  1  0.083435  0.916637  0.583304  1
  Si  Si118  1  0.083404  0.916100  0.916706  1
  Si  Si119  1  0.417059  0.249956  0.250113  1
  Si  Si120  1  0.416595  0.250132  0.583416  1
  Si  Si121  1  0.417048  0.250078  0.916867  1
  Si  Si122  1  0.417005  0.583710  0.250400  1
  Si  Si123  1  0.416674  0.583255  0.583432  1
  Si  Si124  1  0.416732  0.583344  0.916807  1
  Si  Si125  1  0.416793  0.916683  0.250077  1
  Si  Si126  1  0.416698  0.916465  0.583415  1
  Si  Si127  1  0.416930  0.916205  0.916386  1
  Si  Si128  1  0.749583  0.249843  0.249920  1
  Si  Si129  1  0.750000  0.249832  0.583501  1
  Si  Si130  1  0.749422  0.249847  0.916810  1
  Si  Si131  1  0.749781  0.583247  0.250101  1
  Si  Si132  1  0.750036  0.583219  0.583243  1
  Si  Si133  1  0.749630  0.583631  0.916356  1
  Si  Si134  1  0.749660  0.916257  0.250344  1
  Si  Si135  1  0.749815  0.916516  0.583361  1
  Si  Si136  1  0.749830  0.916388  0.916597  1
  Si  Si137  1  0.167272  0.999794  0.167298  1
  Si  Si138  1  0.166825  0.999898  0.500055  1
  Si  Si139  1  0.165777  0.999128  0.832511  1
  Si  Si140  1  0.169357  0.336080  0.169463  1
  Si  Si141  1  0.166555  0.333271  0.500350  1
  Si  Si142  1  0.167190  0.333901  0.833160  1
  Si  Si143  1  0.166600  0.666867  0.166711  1
  Si  Si144  1  0.166356  0.666706  0.500074  1
  Si  Si145  1  0.166635  0.666651  0.833304  1
  Si  Si146  1  0.500118  0.999954  0.166810  1
  Si  Si147  1  0.500016  0.999926  0.500211  1
  Si  Si148  1  0.499966  0.999910  0.833320  1
  Si  Si149  1  0.500142  0.333243  0.166824  1
  Si  Si150  1  0.500106  0.333222  0.500149  1
  Si  Si151  1  0.499972  0.333525  0.833275  1
  Si  Si152  1  0.500073  0.666813  0.166565  1
  Si  Si153  1  0.499847  0.666563  0.499945  1
  Si  Si154  1  0.499980  0.666579  0.833416  1
  Si  Si155  1  0.832557  0.999107  0.165767  1
  Si  Si156  1  0.833261  0.999928  0.500158  1
  Si  Si157  1  0.832938  0.999405  0.832955  1
  Si  Si158  1  0.833138  0.333824  0.167193  1
  Si  Si159  1  0.833157  0.333275  0.500156  1
  Si  Si160  1  0.832389  0.332312  0.832626  1
  Si  Si161  1  0.833124  0.666578  0.166866  1
  Si  Si162  1  0.833338  0.666626  0.500026  1
  Si  Si163  1  0.833247  0.666728  0.833260  1
  Si  Si164  1  0.083379  0.081598  0.083310  1
  Si  Si165  1  0.083258  0.083371  0.417143  1
  Si  Si166  1  0.083336  0.083318  0.749539  1
  Si  Si167  1  0.083255  0.418256  0.083331  1
  Si  Si168  1  0.083304  0.416506  0.417164  1
  Si  Si169  1  0.083211  0.416549  0.749558  1
  Si  Si170  1  0.083183  0.749884  0.083385  1
  Si  Si171  1  0.083166  0.749962  0.416631  1
  Si  Si172  1  0.083229  0.749841  0.750030  1
  Si  Si173  1  0.417097  0.083425  0.083325  1
  Si  Si174  1  0.416739  0.083245  0.416961  1
  Si  Si175  1  0.416910  0.083023  0.749696  1
  Si  Si176  1  0.417089  0.416575  0.083532  1
  Si  Si177  1  0.416920  0.416956  0.417067  1
  Si  Si178  1  0.416716  0.416804  0.749922  1
  Si  Si179  1  0.416540  0.750017  0.083421  1
  Si  Si180  1  0.416599  0.750101  0.416769  1
  Si  Si181  1  0.416619  0.749784  0.750071  1
  Si  Si182  1  0.749474  0.083251  0.083379  1
  Si  Si183  1  0.749647  0.082996  0.417048  1
  Si  Si184  1  0.749876  0.083104  0.750001  1
  Si  Si185  1  0.749463  0.416486  0.083274  1
  Si  Si186  1  0.749939  0.416493  0.416761  1
  Si  Si187  1  0.749539  0.416861  0.749712  1
  Si  Si188  1  0.750043  0.749860  0.083382  1
  Si  Si189  1  0.749863  0.749791  0.416743  1
  Si  Si190  1  0.749801  0.749938  0.749882  1
  Si  Si191  1  0.169458  0.163839  0.997179  1
  Si  Si192  1  0.167217  0.166065  0.333539  1
  Si  Si193  1  0.166717  0.166549  0.666475  1
  Si  Si194  1  0.167178  0.500145  0.999459  1
  Si  Si195  1  0.165705  0.500729  0.334164  1
  Si  Si196  1  0.166676  0.500116  0.666645  1
  Si  Si197  1  0.166584  0.832999  0.000085  1
  Si  Si198  1  0.166693  0.833192  0.333450  1
  Si  Si199  1  0.166454  0.833059  0.666554  1
  Si  Si200  1  0.500176  0.166719  0.000051  1
  Si  Si201  1  0.500057  0.166489  0.333630  1
  Si  Si202  1  0.499991  0.166839  0.666609  1
  Si  Si203  1  0.500065  0.500051  0.000010  1
  Si  Si204  1  0.500069  0.499946  0.333393  1
  Si  Si205  1  0.500079  0.499952  0.666610  1
  Si  Si206  1  0.500087  0.833200  0.000236  1
  Si  Si207  1  0.499967  0.833353  0.333401  1
  Si  Si208  1  0.499909  0.833157  0.666773  1
  Si  Si209  1  0.833121  0.165889  0.999420  1
  Si  Si210  1  0.832590  0.167459  0.334125  1
  Si  Si211  1  0.833211  0.166382  0.666695  1
  Si  Si212  1  0.832478  0.500690  0.000881  1
  Si  Si213  1  0.832909  0.500274  0.333744  1
  Si  Si214  1  0.833280  0.499825  0.666585  1
  Si  Si215  1  0.833192  0.833139  0.999852  1
  Si  Si216  1  0.833253  0.833122  0.333417  1
  Si  Si217  1  0.833195  0.833230  0.666621  1