# generated using pymatgen
data_Si216Cl
_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   Si216Cl
_chemical_formula_sum   'Si216 Cl1'
_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
  Si  Si1  1  0.249824  0.248512  0.082442  1
  Si  Si2  1  0.249317  0.250378  0.415923  1
  Si  Si3  1  0.250658  0.250002  0.749593  1
  Si  Si4  1  0.250012  0.583332  0.083332  1
  Si  Si5  1  0.250501  0.583694  0.416634  1
  Si  Si6  1  0.250283  0.583086  0.749754  1
  Si  Si7  1  0.257084  0.910431  0.080783  1
  Si  Si8  1  0.249861  0.917118  0.416310  1
  Si  Si9  1  0.251402  0.915485  0.747923  1
  Si  Si10  1  0.583317  0.250179  0.083366  1
  Si  Si11  1  0.582537  0.250450  0.417109  1
  Si  Si12  1  0.583356  0.250049  0.750014  1
  Si  Si13  1  0.582737  0.584175  0.082990  1
  Si  Si14  1  0.583286  0.583723  0.416780  1
  Si  Si15  1  0.583345  0.583333  0.750008  1
  Si  Si16  1  0.583349  0.916662  0.083331  1
  Si  Si17  1  0.583696  0.917227  0.416600  1
  Si  Si18  1  0.584516  0.916425  0.749236  1
  Si  Si19  1  0.907395  0.258057  0.085212  1
  Si  Si20  1  0.915654  0.252024  0.419494  1
  Si  Si21  1  0.916673  0.250013  0.749991  1
  Si  Si22  1  0.916662  0.583407  0.083348  1
  Si  Si23  1  0.916204  0.585227  0.417737  1
  Si  Si24  1  0.917061  0.583370  0.751028  1
  Si  Si25  1  0.917042  0.915976  0.084097  1
  Si  Si26  1  0.917271  0.916742  0.416268  1
  Si  Si27  1  0.917087  0.917418  0.750437  1
  Si  Si28  1  0.997490  0.994747  0.993961  1
  Si  Si29  1  0.001888  0.000213  0.333841  1
  Si  Si30  1  0.000190  0.000132  0.666567  1
  Si  Si31  1  0.001118  0.331808  0.002389  1
  Si  Si32  1  0.996148  0.344670  0.343737  1
  Si  Si33  1  0.000067  0.333704  0.667098  1
  Si  Si34  1  0.000136  0.666642  0.999969  1
  Si  Si35  1  0.999978  0.666956  0.333453  1
  Si  Si36  1  0.999977  0.667476  0.667954  1
  Si  Si37  1  0.337142  0.998342  0.998175  1
  Si  Si38  1  0.331726  0.001248  0.332365  1
  Si  Si39  1  0.334327  0.000013  0.665375  1
  Si  Si40  1  0.333209  0.333272  0.999939  1
  Si  Si41  1  0.333328  0.333430  0.333204  1
  Si  Si42  1  0.333434  0.333658  0.666553  1
  Si  Si43  1  0.333793  0.666279  0.000043  1
  Si  Si44  1  0.333624  0.666927  0.333337  1
  Si  Si45  1  0.333426  0.666667  0.666434  1
  Si  Si46  1  0.666542  0.999930  0.999952  1
  Si  Si47  1  0.667016  0.000572  0.333334  1
  Si  Si48  1  0.667198  0.000232  0.666018  1
  Si  Si49  1  0.666523  0.333646  0.000135  1
  Si  Si50  1  0.665432  0.334532  0.334483  1
  Si  Si51  1  0.666571  0.334010  0.667670  1
  Si  Si52  1  0.667291  0.666408  0.999870  1
  Si  Si53  1  0.665984  0.668212  0.333860  1
  Si  Si54  1  0.666667  0.666924  0.666881  1
  Si  Si55  1  0.248292  0.084561  0.247626  1
  Si  Si56  1  0.250243  0.083497  0.583026  1
  Si  Si57  1  0.261100  0.079691  0.906363  1
  Si  Si58  1  0.249991  0.416657  0.249998  1
  Si  Si59  1  0.250136  0.416750  0.583324  1
  Si  Si60  1  0.250006  0.416668  0.916678  1
  Si  Si61  1  0.250399  0.750003  0.249873  1
  Si  Si62  1  0.250586  0.749866  0.582365  1
  Si  Si63  1  0.251203  0.748887  0.915449  1
  Si  Si64  1  0.583330  0.083347  0.250010  1
  Si  Si65  1  0.584049  0.083348  0.582185  1
  Si  Si66  1  0.583665  0.083419  0.916523  1
  Si  Si67  1  0.582616  0.417389  0.250179  1
  Si  Si68  1  0.583339  0.416825  0.583573  1
  Si  Si69  1  0.583498  0.416936  0.916639  1
  Si  Si70  1  0.582910  0.751004  0.250059  1
  Si  Si71  1  0.583367  0.750016  0.583314  1
  Si  Si72  1  0.584538  0.749494  0.916159  1
  Si  Si73  1  0.911425  0.080904  0.255953  1
  Si  Si74  1  0.916671  0.083381  0.583358  1
  Si  Si75  1  0.916755  0.085256  0.916214  1
  Si  Si76  1  0.914767  0.420610  0.251865  1
  Si  Si77  1  0.916598  0.417777  0.584631  1
  Si  Si78  1  0.917639  0.415219  0.917789  1
  Si  Si79  1  0.916663  0.749992  0.249995  1
  Si  Si80  1  0.916986  0.750714  0.584087  1
  Si  Si81  1  0.917278  0.750405  0.916770  1
  Si  Si82  1  0.970937  0.194292  0.196255  1
  Si  Si83  1  0.999784  0.167409  0.500722  1
  Si  Si84  1  0.000786  0.166676  0.832387  1
  Si  Si85  1  0.999756  0.500773  0.167227  1
  Si  Si86  1  0.999080  0.504302  0.503787  1
  Si  Si87  1  0.000280  0.499357  0.834088  1
  Si  Si88  1  0.000476  0.832395  0.166354  1
  Si  Si89  1  0.000173  0.833404  0.500037  1
  Si  Si90  1  0.000540  0.832111  0.831640  1
  Si  Si91  1  0.333911  0.166679  0.165781  1
  Si  Si92  1  0.332951  0.167118  0.499544  1
  Si  Si93  1  0.339906  0.167638  0.827374  1
  Si  Si94  1  0.333299  0.500061  0.166568  1
  Si  Si95  1  0.333376  0.500086  0.499932  1
  Si  Si96  1  0.333446  0.499965  0.833268  1
  Si  Si97  1  0.337462  0.830136  0.167069  1
  Si  Si98  1  0.333634  0.833596  0.499272  1
  Si  Si99  1  0.334332  0.832917  0.832514  1
  Si  Si100  1  0.666288  0.167191  0.167104  1
  Si  Si101  1  0.666270  0.167848  0.500599  1
  Si  Si102  1  0.666770  0.166741  0.833278  1
  Si  Si103  1  0.664606  0.502455  0.167398  1
  Si  Si104  1  0.666424  0.500713  0.500603  1
  Si  Si105  1  0.666890  0.500467  0.833696  1
  Si  Si106  1  0.666689  0.833465  0.166548  1
  Si  Si107  1  0.666610  0.833951  0.500313  1
  Si  Si108  1  0.667360  0.833272  0.832994  1
  Si  Si109  1  0.079264  0.263681  0.263866  1
  Si  Si110  1  0.083418  0.250620  0.583649  1
  Si  Si111  1  0.084348  0.247424  0.917154  1
  Si  Si112  1  0.083436  0.583830  0.250187  1
  Si  Si113  1  0.083746  0.585478  0.585564  1
  Si  Si114  1  0.083347  0.583328  0.916675  1
  Si  Si115  1  0.083620  0.916094  0.248630  1
  Si  Si116  1  0.083343  0.916668  0.583324  1
  Si  Si117  1  0.085752  0.913972  0.913242  1
  Si  Si118  1  0.416664  0.250007  0.249990  1
  Si  Si119  1  0.416550  0.250118  0.583191  1
  Si  Si120  1  0.417591  0.250393  0.916355  1
  Si  Si121  1  0.416662  0.583343  0.249999  1
  Si  Si122  1  0.416675  0.583337  0.583324  1
  Si  Si123  1  0.416732  0.583264  0.916594  1
  Si  Si124  1  0.416459  0.917656  0.250062  1
  Si  Si125  1  0.417268  0.916645  0.582326  1
  Si  Si126  1  0.419462  0.915193  0.915140  1
  Si  Si127  1  0.748202  0.251517  0.250943  1
  Si  Si128  1  0.749468  0.250611  0.584600  1
  Si  Si129  1  0.750029  0.250083  0.916717  1
  Si  Si130  1  0.748830  0.585224  0.250395  1
  Si  Si131  1  0.750117  0.583915  0.583740  1
  Si  Si132  1  0.750887  0.583478  0.916563  1
  Si  Si133  1  0.750010  0.916677  0.249997  1
  Si  Si134  1  0.750628  0.917025  0.583056  1
  Si  Si135  1  0.750087  0.916774  0.916742  1
  Si  Si136  1  0.174669  0.990690  0.164780  1
  Si  Si137  1  0.166761  0.000031  0.500149  1
  Si  Si138  1  0.168726  0.999078  0.830485  1
  Si  Si139  1  0.165052  0.333282  0.167659  1
  Si  Si140  1  0.166508  0.333957  0.500249  1
  Si  Si141  1  0.166984  0.332620  0.834042  1
  Si  Si142  1  0.166948  0.666736  0.166690  1
  Si  Si143  1  0.166819  0.666712  0.499895  1
  Si  Si144  1  0.167007  0.666067  0.832977  1
  Si  Si145  1  0.500168  0.000102  0.166565  1
  Si  Si146  1  0.499936  0.000513  0.499129  1
  Si  Si147  1  0.501757  0.999825  0.832227  1
  Si  Si148  1  0.499930  0.333458  0.166715  1
  Si  Si149  1  0.499652  0.333708  0.500356  1
  Si  Si150  1  0.500408  0.333823  0.833229  1
  Si  Si151  1  0.500623  0.666347  0.166980  1
  Si  Si152  1  0.499931  0.666833  0.500009  1
  Si  Si153  1  0.500203  0.666610  0.833298  1
  Si  Si154  1  0.832662  0.000290  0.165959  1
  Si  Si155  1  0.833776  0.000386  0.499564  1
  Si  Si156  1  0.833284  0.000560  0.833803  1
  Si  Si157  1  0.827046  0.340473  0.169170  1
  Si  Si158  1  0.832137  0.334790  0.502029  1
  Si  Si159  1  0.833768  0.333214  0.833780  1
  Si  Si160  1  0.833299  0.666835  0.166641  1
  Si  Si161  1  0.832990  0.668206  0.500820  1
  Si  Si162  1  0.833792  0.667176  0.833494  1
  Si  Si163  1  0.110834  0.054203  0.053774  1
  Si  Si164  1  0.083345  0.084076  0.417745  1
  Si  Si165  1  0.084151  0.083248  0.749266  1
  Si  Si166  1  0.083282  0.417308  0.084281  1
  Si  Si167  1  0.084153  0.423437  0.422654  1
  Si  Si168  1  0.083732  0.416303  0.750622  1
  Si  Si169  1  0.084092  0.749637  0.082791  1
  Si  Si170  1  0.083343  0.750012  0.416664  1
  Si  Si171  1  0.084419  0.749763  0.749516  1
  Si  Si172  1  0.417519  0.083248  0.082725  1
  Si  Si173  1  0.415995  0.083775  0.415957  1
  Si  Si174  1  0.420706  0.082607  0.746215  1
  Si  Si175  1  0.416663  0.416660  0.083329  1
  Si  Si176  1  0.416645  0.416692  0.416686  1
  Si  Si177  1  0.416678  0.416676  0.749999  1
  Si  Si178  1  0.418950  0.748293  0.082717  1
  Si  Si179  1  0.417052  0.750353  0.416322  1
  Si  Si180  1  0.417359  0.749689  0.749321  1
  Si  Si181  1  0.748982  0.083632  0.083617  1
  Si  Si182  1  0.748649  0.084041  0.418339  1
  Si  Si183  1  0.750003  0.083353  0.749993  1
  Si  Si184  1  0.746332  0.420753  0.083137  1
  Si  Si185  1  0.749529  0.417592  0.417399  1
  Si  Si186  1  0.750279  0.417094  0.750904  1
  Si  Si187  1  0.750012  0.750010  0.083337  1
  Si  Si188  1  0.749887  0.751113  0.416993  1
  Si  Si189  1  0.750567  0.750162  0.749835  1
  Si  Si190  1  0.180095  0.162692  0.986314  1
  Si  Si191  1  0.163949  0.167781  0.332985  1
  Si  Si192  1  0.167147  0.166972  0.666303  1
  Si  Si193  1  0.166666  0.500017  0.000088  1
  Si  Si194  1  0.166955  0.500853  0.333524  1
  Si  Si195  1  0.166761  0.499867  0.666904  1
  Si  Si196  1  0.168230  0.831649  0.998917  1
  Si  Si197  1  0.166782  0.833427  0.333233  1
  Si  Si198  1  0.167243  0.832773  0.665430  1
  Si  Si199  1  0.500488  0.166856  0.999688  1
  Si  Si200  1  0.499965  0.166779  0.333255  1
  Si  Si201  1  0.502029  0.167103  0.664494  1
  Si  Si202  1  0.499925  0.500065  0.999931  1
  Si  Si203  1  0.499674  0.500377  0.333668  1
  Si  Si204  1  0.499965  0.500107  0.666721  1
  Si  Si205  1  0.501668  0.832352  0.999593  1
  Si  Si206  1  0.499928  0.834457  0.333406  1
  Si  Si207  1  0.500342  0.833539  0.666290  1
  Si  Si208  1  0.832597  0.166989  0.001462  1
  Si  Si209  1  0.830551  0.169092  0.336661  1
  Si  Si210  1  0.833325  0.166678  0.666795  1
  Si  Si211  1  0.833722  0.499891  0.000061  1
  Si  Si212  1  0.831571  0.502905  0.334827  1
  Si  Si213  1  0.833200  0.500767  0.667676  1
  Si  Si214  1  0.833355  0.833449  0.000040  1
  Si  Si215  1  0.833599  0.833637  0.333170  1
  Si  Si216  1  0.833694  0.834086  0.667004  1
  Cl  Cl217  1  0.077160  0.160308  0.125232  1