# 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  0.041608  0.291729  0.125056  1
  Si  Si2  1  0.252163  0.249234  0.082567  1
  Si  Si3  1  0.250817  0.250441  0.417652  1
  Si  Si4  1  0.250426  0.249560  0.749395  1
  Si  Si5  1  0.250817  0.584318  0.083774  1
  Si  Si6  1  0.250424  0.583964  0.417297  1
  Si  Si7  1  0.250103  0.583266  0.749732  1
  Si  Si8  1  0.250426  0.916062  0.082894  1
  Si  Si9  1  0.250103  0.916398  0.416599  1
  Si  Si10  1  0.249959  0.916762  0.750101  1
  Si  Si11  1  0.583080  0.249861  0.083194  1
  Si  Si12  1  0.583205  0.249874  0.416897  1
  Si  Si13  1  0.583194  0.250202  0.749717  1
  Si  Si14  1  0.583205  0.583564  0.083207  1
  Si  Si15  1  0.583486  0.583548  0.416881  1
  Si  Si16  1  0.583176  0.583579  0.749889  1
  Si  Si17  1  0.583193  0.916383  0.083537  1
  Si  Si18  1  0.583176  0.916556  0.416912  1
  Si  Si19  1  0.583172  0.916768  0.750101  1
  Si  Si20  1  0.909222  0.248366  0.081700  1
  Si  Si21  1  0.916061  0.249797  0.418051  1
  Si  Si22  1  0.916625  0.250076  0.749490  1
  Si  Si23  1  0.916061  0.584717  0.083132  1
  Si  Si24  1  0.916780  0.583308  0.416641  1
  Si  Si25  1  0.916208  0.583945  0.749537  1
  Si  Si26  1  0.916624  0.916157  0.083408  1
  Si  Si27  1  0.916208  0.916204  0.417278  1
  Si  Si28  1  0.916765  0.916374  0.749707  1
  Si  Si29  1  0.999828  0.998627  0.999414  1
  Si  Si30  1  0.000414  0.998984  0.334110  1
  Si  Si31  1  0.999954  0.999795  0.666564  1
  Si  Si32  1  0.998373  0.334960  0.992584  1
  Si  Si33  1  0.999249  0.334085  0.335538  1
  Si  Si34  1  0.999911  0.333424  0.666398  1
  Si  Si35  1  0.000069  0.667143  0.999918  1
  Si  Si36  1  0.999608  0.667307  0.333779  1
  Si  Si37  1  0.000105  0.666893  0.666474  1
  Si  Si38  1  0.333305  0.000028  0.000058  1
  Si  Si39  1  0.334002  0.999332  0.333673  1
  Si  Si40  1  0.333446  0.999887  0.666872  1
  Si  Si41  1  0.334707  0.333506  0.999414  1
  Si  Si42  1  0.334349  0.332920  0.334110  1
  Si  Si43  1  0.333539  0.333379  0.666564  1
  Si  Si44  1  0.334005  0.667089  0.999569  1
  Si  Si45  1  0.333373  0.666918  0.333460  1
  Si  Si46  1  0.333451  0.666830  0.666618  1
  Si  Si47  1  0.666246  0.999324  0.999571  1
  Si  Si48  1  0.666415  0.999961  0.333460  1
  Si  Si49  1  0.666503  0.999882  0.666618  1
  Si  Si50  1  0.666190  0.333264  0.999918  1
  Si  Si51  1  0.666026  0.333726  0.333779  1
  Si  Si52  1  0.666441  0.333228  0.666475  1
  Si  Si53  1  0.666419  0.666915  0.000009  1
  Si  Si54  1  0.666775  0.666558  0.333396  1
  Si  Si55  1  0.666631  0.666703  0.666579  1
  Si  Si56  1  0.251215  0.082119  0.248997  1
  Si  Si57  1  0.250321  0.083012  0.583264  1
  Si  Si58  1  0.250065  0.083268  0.916601  1
  Si  Si59  1  0.251938  0.419839  0.253172  1
  Si  Si60  1  0.250273  0.416736  0.583525  1
  Si  Si61  1  0.251215  0.415664  0.915452  1
  Si  Si62  1  0.250273  0.750192  0.250069  1
  Si  Si63  1  0.250025  0.750179  0.583512  1
  Si  Si64  1  0.250320  0.749931  0.916346  1
  Si  Si65  1  0.583141  0.083061  0.250069  1
  Si  Si66  1  0.583155  0.083309  0.583512  1
  Si  Si67  1  0.583402  0.083008  0.916350  1
  Si  Si68  1  0.583014  0.416946  0.250279  1
  Si  Si69  1  0.583443  0.416929  0.583224  1
  Si  Si70  1  0.583141  0.416736  0.916394  1
  Si  Si71  1  0.583443  0.749890  0.250262  1
  Si  Si72  1  0.583172  0.750162  0.583495  1
  Si  Si73  1  0.583155  0.750179  0.916642  1
  Si  Si74  1  0.913495  0.081395  0.253172  1
  Si  Si75  1  0.916598  0.083061  0.583526  1
  Si  Si76  1  0.917670  0.082119  0.915451  1
  Si  Si77  1  0.916953  0.416376  0.249715  1
  Si  Si78  1  0.916388  0.416945  0.583653  1
  Si  Si79  1  0.913494  0.419839  0.914728  1
  Si  Si80  1  0.916388  0.750320  0.250279  1
  Si  Si81  1  0.916405  0.749891  0.583224  1
  Si  Si82  1  0.916598  0.750192  0.916394  1
  Si  Si83  1  0.998373  0.159251  0.168293  1
  Si  Si84  1  0.000069  0.166584  0.500477  1
  Si  Si85  1  0.999828  0.166082  0.831960  1
  Si  Si86  1  0.999246  0.502201  0.167422  1
  Si  Si87  1  0.999608  0.500445  0.500640  1
  Si  Si88  1  0.000414  0.500777  0.832317  1
  Si  Si89  1  0.999910  0.833065  0.166756  1
  Si  Si90  1  0.000105  0.833141  0.500226  1
  Si  Si91  1  0.999954  0.833231  0.833128  1
  Si  Si92  1  0.334707  0.166081  0.166839  1
  Si  Si93  1  0.334006  0.166235  0.500422  1
  Si  Si94  1  0.333306  0.166725  0.833360  1
  Si  Si95  1  0.334349  0.500777  0.166253  1
  Si  Si96  1  0.333372  0.500127  0.500251  1
  Si  Si97  1  0.334002  0.500340  0.832665  1
  Si  Si98  1  0.333539  0.833231  0.166712  1
  Si  Si99  1  0.333452  0.833285  0.500164  1
  Si  Si100  1  0.333445  0.833535  0.833221  1
  Si  Si101  1  0.666189  0.166584  0.166598  1
  Si  Si102  1  0.666419  0.166675  0.500248  1
  Si  Si103  1  0.666242  0.166233  0.832663  1
  Si  Si104  1  0.666026  0.500445  0.167059  1
  Si  Si105  1  0.666775  0.500063  0.499892  1
  Si  Si106  1  0.666415  0.500127  0.833294  1
  Si  Si107  1  0.666441  0.833141  0.166562  1
  Si  Si108  1  0.666631  0.833246  0.500036  1
  Si  Si109  1  0.666503  0.833285  0.833215  1
  Si  Si110  1  0.084967  0.248367  0.257444  1
  Si  Si111  1  0.083472  0.249861  0.583586  1
  Si  Si112  1  0.084100  0.249234  0.914504  1
  Si  Si113  1  0.083535  0.584717  0.250605  1
  Si  Si114  1  0.083459  0.583564  0.583461  1
  Si  Si115  1  0.082892  0.584318  0.915850  1
  Si  Si116  1  0.083258  0.916157  0.250042  1
  Si  Si117  1  0.083130  0.916383  0.583473  1
  Si  Si118  1  0.083773  0.916062  0.916241  1
  Si  Si119  1  0.417177  0.250076  0.250042  1
  Si  Si120  1  0.416950  0.250203  0.583473  1
  Si  Si121  1  0.417272  0.249560  0.916241  1
  Si  Si122  1  0.417129  0.583945  0.250458  1
  Si  Si123  1  0.416778  0.583579  0.583491  1
  Si  Si124  1  0.416935  0.583266  0.916563  1
  Si  Si125  1  0.416959  0.916374  0.249901  1
  Si  Si126  1  0.416565  0.916768  0.583494  1
  Si  Si127  1  0.416564  0.916762  0.916706  1
  Si  Si128  1  0.748616  0.249797  0.250605  1
  Si  Si129  1  0.749769  0.249874  0.583462  1
  Si  Si130  1  0.749014  0.250440  0.915849  1
  Si  Si131  1  0.750025  0.583307  0.249887  1
  Si  Si132  1  0.749785  0.583548  0.583181  1
  Si  Si133  1  0.749370  0.583964  0.916242  1
  Si  Si134  1  0.749389  0.916204  0.250458  1
  Si  Si135  1  0.749755  0.916556  0.583491  1
  Si  Si136  1  0.750068  0.916398  0.916563  1
  Si  Si137  1  0.167252  0.998627  0.166839  1
  Si  Si138  1  0.167098  0.999328  0.500422  1
  Si  Si139  1  0.166608  0.000028  0.833361  1
  Si  Si140  1  0.174082  0.334961  0.168293  1
  Si  Si141  1  0.166749  0.333265  0.500477  1
  Si  Si142  1  0.167252  0.333506  0.831960  1
  Si  Si143  1  0.166749  0.667144  0.166598  1
  Si  Si144  1  0.166658  0.666915  0.500248  1
  Si  Si145  1  0.167098  0.667089  0.832661  1
  Si  Si146  1  0.500102  0.999795  0.166712  1
  Si  Si147  1  0.500049  0.999882  0.500164  1
  Si  Si148  1  0.499795  0.999886  0.833222  1
  Si  Si149  1  0.500269  0.333424  0.166756  1
  Si  Si150  1  0.500192  0.333228  0.500226  1
  Si  Si151  1  0.500102  0.333379  0.833128  1
  Si  Si152  1  0.500192  0.666893  0.166561  1
  Si  Si153  1  0.500088  0.666703  0.500036  1
  Si  Si154  1  0.500049  0.666830  0.833215  1
  Si  Si155  1  0.832557  0.998984  0.166253  1
  Si  Si156  1  0.833207  0.999961  0.500251  1
  Si  Si157  1  0.832993  0.999332  0.832665  1
  Si  Si158  1  0.831131  0.334085  0.167419  1
  Si  Si159  1  0.832888  0.333726  0.500641  1
  Si  Si160  1  0.832556  0.332920  0.832318  1
  Si  Si161  1  0.832886  0.667308  0.167060  1
  Si  Si162  1  0.833271  0.666558  0.499892  1
  Si  Si163  1  0.833207  0.666918  0.833294  1
  Si  Si164  1  0.084100  0.081171  0.082567  1
  Si  Si165  1  0.082892  0.082517  0.417652  1
  Si  Si166  1  0.083773  0.082907  0.749395  1
  Si  Si167  1  0.084965  0.424113  0.081701  1
  Si  Si168  1  0.083537  0.417273  0.418051  1
  Si  Si169  1  0.083258  0.416710  0.749490  1
  Si  Si170  1  0.083472  0.750253  0.083194  1
  Si  Si171  1  0.083459  0.750128  0.416897  1
  Si  Si172  1  0.083130  0.750140  0.749716  1
  Si  Si173  1  0.417271  0.082907  0.082894  1
  Si  Si174  1  0.416935  0.083230  0.416599  1
  Si  Si175  1  0.416570  0.083376  0.750097  1
  Si  Si176  1  0.417177  0.416710  0.083408  1
  Si  Si177  1  0.417129  0.417125  0.417278  1
  Si  Si178  1  0.416959  0.416568  0.749707  1
  Si  Si179  1  0.416950  0.750140  0.083536  1
  Si  Si180  1  0.416778  0.750158  0.416912  1
  Si  Si181  1  0.416566  0.750161  0.750101  1
  Si  Si182  1  0.749015  0.082517  0.083775  1
  Si  Si183  1  0.749370  0.082909  0.417297  1
  Si  Si184  1  0.750068  0.083230  0.749732  1
  Si  Si185  1  0.748616  0.417272  0.083131  1
  Si  Si186  1  0.750024  0.416553  0.416642  1
  Si  Si187  1  0.749389  0.417125  0.749537  1
  Si  Si188  1  0.749769  0.750129  0.083207  1
  Si  Si189  1  0.749785  0.749847  0.416881  1
  Si  Si190  1  0.749755  0.750158  0.749889  1
  Si  Si191  1  0.166433  0.166901  0.000234  1
  Si  Si192  1  0.169860  0.163473  0.335276  1
  Si  Si193  1  0.166968  0.166366  0.666337  1
  Si  Si194  1  0.169860  0.501943  0.996806  1
  Si  Si195  1  0.165706  0.501207  0.334540  1
  Si  Si196  1  0.166758  0.500163  0.666449  1
  Si  Si197  1  0.166968  0.833004  0.999699  1
  Si  Si198  1  0.166758  0.833116  0.333496  1
  Si  Si199  1  0.166776  0.833411  0.666745  1
  Si  Si200  1  0.500329  0.166365  0.999699  1
  Si  Si201  1  0.500218  0.166576  0.333496  1
  Si  Si202  1  0.499923  0.166559  0.666744  1
  Si  Si203  1  0.500218  0.500163  0.999908  1
  Si  Si204  1  0.500007  0.500320  0.333653  1
  Si  Si205  1  0.500131  0.500084  0.666536  1
  Si  Si206  1  0.499921  0.833412  0.999891  1
  Si  Si207  1  0.500131  0.833203  0.333417  1
  Si  Si208  1  0.499973  0.833361  0.666694  1
  Si  Si209  1  0.831391  0.163473  0.996806  1
  Si  Si210  1  0.832126  0.167628  0.334540  1
  Si  Si211  1  0.833171  0.166575  0.666449  1
  Si  Si212  1  0.832127  0.501207  0.000961  1
  Si  Si213  1  0.833317  0.500016  0.333350  1
  Si  Si214  1  0.833014  0.500320  0.666659  1
  Si  Si215  1  0.833171  0.833115  0.999908  1
  Si  Si216  1  0.833014  0.833327  0.333653  1
  Si  Si217  1  0.833249  0.833203  0.666536  1
