# generated using pymatgen
data_Si216Sn
_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   Si216Sn
_chemical_formula_sum   'Si216 Sn1'
_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  0.255596  0.250513  0.083850  1
  Si  Si2  1  0.250170  0.250416  0.417813  1
  Si  Si3  1  0.250077  0.250050  0.749571  1
  Si  Si4  1  0.250169  0.584480  0.083750  1
  Si  Si5  1  0.250008  0.584881  0.418214  1
  Si  Si6  1  0.249993  0.583341  0.750008  1
  Si  Si7  1  0.250078  0.916241  0.083383  1
  Si  Si8  1  0.249991  0.916674  0.416674  1
  Si  Si9  1  0.250117  0.915740  0.749073  1
  Si  Si10  1  0.583179  0.250073  0.083403  1
  Si  Si11  1  0.583055  0.250193  0.417044  1
  Si  Si12  1  0.583324  0.250006  0.750001  1
  Si  Si13  1  0.583057  0.583707  0.083528  1
  Si  Si14  1  0.583330  0.583343  0.416677  1
  Si  Si15  1  0.583229  0.583389  0.750031  1
  Si  Si16  1  0.583323  0.916668  0.083339  1
  Si  Si17  1  0.583228  0.916696  0.416721  1
  Si  Si18  1  0.583329  0.916680  0.750013  1
  Si  Si19  1  0.910269  0.250339  0.083669  1
  Si  Si20  1  0.916042  0.250039  0.417862  1
  Si  Si21  1  0.915948  0.250566  0.749445  1
  Si  Si22  1  0.916042  0.584528  0.083371  1
  Si  Si23  1  0.916582  0.583475  0.416813  1
  Si  Si24  1  0.916023  0.584854  0.749071  1
  Si  Si25  1  0.915945  0.916112  0.083898  1
  Si  Si26  1  0.916026  0.915738  0.418185  1
  Si  Si27  1  0.916666  0.916674  0.750008  1
  Si  Si28  1  0.998247  0.998491  0.998969  1
  Si  Si29  1  0.000206  0.998037  0.335936  1
  Si  Si30  1  0.999897  0.999919  0.666576  1
  Si  Si31  1  0.991063  0.342264  0.991746  1
  Si  Si32  1  0.998215  0.335117  0.335491  1
  Si  Si33  1  0.999891  0.333443  0.666594  1
  Si  Si34  1  0.999787  0.667223  0.000191  1
  Si  Si35  1  0.999665  0.667193  0.333819  1
  Si  Si36  1  0.999905  0.667323  0.666439  1
  Si  Si37  1  0.335247  0.998082  0.000745  1
  Si  Si38  1  0.333451  0.999883  0.333530  1
  Si  Si39  1  0.333263  0.000069  0.666593  1
  Si  Si40  1  0.334844  0.335086  0.998967  1
  Si  Si41  1  0.335303  0.333126  0.335940  1
  Si  Si42  1  0.333411  0.333436  0.666577  1
  Si  Si43  1  0.333459  0.666905  0.999936  1
  Si  Si44  1  0.333069  0.667108  0.333636  1
  Si  Si45  1  0.333253  0.666735  0.666738  1
  Si  Si46  1  0.666427  0.999874  0.999937  1
  Si  Si47  1  0.666225  0.000264  0.333631  1
  Si  Si48  1  0.666598  0.000080  0.666737  1
  Si  Si49  1  0.666108  0.333547  0.000190  1
  Si  Si50  1  0.666128  0.333668  0.333826  1
  Si  Si51  1  0.666011  0.333424  0.666432  1
  Si  Si52  1  0.665868  0.667466  0.000444  1
  Si  Si53  1  0.666578  0.666754  0.333401  1
  Si  Si54  1  0.666674  0.666659  0.666782  1
  Si  Si55  1  0.250083  0.083250  0.250576  1
  Si  Si56  1  0.249993  0.083340  0.583340  1
  Si  Si57  1  0.256981  0.076331  0.909674  1
  Si  Si58  1  0.257218  0.424528  0.257866  1
  Si  Si59  1  0.249942  0.416744  0.583489  1
  Si  Si60  1  0.250081  0.417236  0.916585  1
  Si  Si61  1  0.249941  0.750155  0.250079  1
  Si  Si62  1  0.249994  0.750034  0.583366  1
  Si  Si63  1  0.249995  0.750008  0.916673  1
  Si  Si64  1  0.583178  0.083392  0.250079  1
  Si  Si65  1  0.583298  0.083340  0.583368  1
  Si  Si66  1  0.583326  0.083339  0.916672  1
  Si  Si67  1  0.583217  0.416757  0.250091  1
  Si  Si68  1  0.583322  0.416680  0.583344  1
  Si  Si69  1  0.583177  0.416745  0.916726  1
  Si  Si70  1  0.583325  0.750011  0.250015  1
  Si  Si71  1  0.583327  0.750005  0.583340  1
  Si  Si72  1  0.583296  0.750036  0.916677  1
  Si  Si73  1  0.908819  0.076141  0.257845  1
  Si  Si74  1  0.916590  0.083388  0.583484  1
  Si  Si75  1  0.916091  0.083249  0.916584  1
  Si  Si76  1  0.916025  0.417302  0.250644  1
  Si  Si77  1  0.916576  0.416757  0.583449  1
  Si  Si78  1  0.908805  0.424521  0.909457  1
  Si  Si79  1  0.916578  0.750113  0.250088  1
  Si  Si80  1  0.916652  0.750011  0.583344  1
  Si  Si81  1  0.916589  0.750150  0.916724  1
  Si  Si82  1  0.991092  0.158422  0.175575  1
  Si  Si83  1  0.999788  0.166857  0.500557  1
  Si  Si84  1  0.998249  0.165630  0.831822  1
  Si  Si85  1  0.998208  0.502154  0.168456  1
  Si  Si86  1  0.999669  0.500488  0.500536  1
  Si  Si87  1  0.000208  0.502604  0.831367  1
  Si  Si88  1  0.999891  0.833262  0.166775  1
  Si  Si89  1  0.999907  0.833100  0.500656  1
  Si  Si90  1  0.999896  0.833243  0.833256  1
  Si  Si91  1  0.334845  0.165632  0.168421  1
  Si  Si92  1  0.333459  0.166604  0.500240  1
  Si  Si93  1  0.335242  0.167405  0.831416  1
  Si  Si94  1  0.335305  0.502606  0.166458  1
  Si  Si95  1  0.333070  0.500302  0.500440  1
  Si  Si96  1  0.333450  0.500197  0.833217  1
  Si  Si97  1  0.333410  0.833244  0.166771  1
  Si  Si98  1  0.333254  0.833405  0.500071  1
  Si  Si99  1  0.333265  0.833262  0.833403  1
  Si  Si100  1  0.666107  0.166857  0.166875  1
  Si  Si101  1  0.665873  0.167112  0.500801  1
  Si  Si102  1  0.666427  0.166604  0.833208  1
  Si  Si103  1  0.666133  0.500488  0.167000  1
  Si  Si104  1  0.666576  0.500069  0.500090  1
  Si  Si105  1  0.666226  0.500299  0.833594  1
  Si  Si106  1  0.666011  0.833101  0.166760  1
  Si  Si107  1  0.666673  0.833449  0.499994  1
  Si  Si108  1  0.666595  0.833404  0.833414  1
  Si  Si109  1  0.083000  0.250344  0.256404  1
  Si  Si110  1  0.083261  0.250071  0.583486  1
  Si  Si111  1  0.082827  0.250503  0.911076  1
  Si  Si112  1  0.083293  0.584528  0.250619  1
  Si  Si113  1  0.083140  0.583705  0.583610  1
  Si  Si114  1  0.082916  0.584481  0.916496  1
  Si  Si115  1  0.082768  0.916111  0.250724  1
  Si  Si116  1  0.083328  0.916666  0.583346  1
  Si  Si117  1  0.083282  0.916236  0.916588  1
  Si  Si118  1  0.417224  0.250566  0.250722  1
  Si  Si119  1  0.416667  0.250004  0.583345  1
  Si  Si120  1  0.417093  0.250047  0.916584  1
  Si  Si121  1  0.417596  0.584860  0.250645  1
  Si  Si122  1  0.416636  0.583388  0.583437  1
  Si  Si123  1  0.416660  0.583340  0.916674  1
  Si  Si124  1  0.416660  0.916675  0.250000  1
  Si  Si125  1  0.416657  0.916676  0.583336  1
  Si  Si126  1  0.417588  0.915746  0.916549  1
  Si  Si127  1  0.748796  0.250042  0.250616  1
  Si  Si128  1  0.749638  0.250191  0.583608  1
  Si  Si129  1  0.748853  0.250416  0.916496  1
  Si  Si130  1  0.749857  0.583475  0.250084  1
  Si  Si131  1  0.749992  0.583342  0.583337  1
  Si  Si132  1  0.748448  0.584881  0.916656  1
  Si  Si133  1  0.748480  0.915738  0.250642  1
  Si  Si134  1  0.749944  0.916697  0.583437  1
  Si  Si135  1  0.749993  0.916674  0.916675  1
  Si  Si136  1  0.167698  0.998491  0.168420  1
  Si  Si137  1  0.166728  0.999874  0.500238  1
  Si  Si138  1  0.165916  0.998073  0.831412  1
  Si  Si139  1  0.174932  0.342275  0.175607  1
  Si  Si140  1  0.166477  0.333544  0.500559  1
  Si  Si141  1  0.167699  0.335086  0.831824  1
  Si  Si142  1  0.166476  0.667225  0.166879  1
  Si  Si143  1  0.166223  0.667460  0.500797  1
  Si  Si144  1  0.166729  0.666907  0.833208  1
  Si  Si145  1  0.500091  0.999921  0.166772  1
  Si  Si146  1  0.499928  0.000080  0.500070  1
  Si  Si147  1  0.500074  0.000070  0.833405  1
  Si  Si148  1  0.500070  0.333443  0.166777  1
  Si  Si149  1  0.500228  0.333431  0.500660  1
  Si  Si150  1  0.500088  0.333438  0.833256  1
  Si  Si151  1  0.500229  0.667326  0.166762  1
  Si  Si152  1  0.499886  0.666660  0.499995  1
  Si  Si153  1  0.499928  0.666736  0.833414  1
  Si  Si154  1  0.830729  0.998036  0.166458  1
  Si  Si155  1  0.833037  0.000263  0.500438  1
  Si  Si156  1  0.833139  0.999881  0.833215  1
  Si  Si157  1  0.831182  0.335117  0.168451  1
  Si  Si158  1  0.832847  0.333669  0.500532  1
  Si  Si159  1  0.830727  0.333126  0.831364  1
  Si  Si160  1  0.832847  0.667197  0.166999  1
  Si  Si161  1  0.833264  0.666755  0.500090  1
  Si  Si162  1  0.833036  0.667106  0.833599  1
  Si  Si163  1  0.082829  0.077744  0.083837  1
  Si  Si164  1  0.082917  0.083160  0.417813  1
  Si  Si165  1  0.083282  0.083250  0.749567  1
  Si  Si166  1  0.082993  0.423079  0.083672  1
  Si  Si167  1  0.083293  0.417287  0.417865  1
  Si  Si168  1  0.082769  0.417387  0.749444  1
  Si  Si169  1  0.083262  0.750151  0.083405  1
  Si  Si170  1  0.083139  0.750265  0.417035  1
  Si  Si171  1  0.083326  0.750011  0.750000  1
  Si  Si172  1  0.417095  0.083252  0.083383  1
  Si  Si173  1  0.416661  0.083341  0.416674  1
  Si  Si174  1  0.417589  0.083216  0.749077  1
  Si  Si175  1  0.417224  0.417387  0.083899  1
  Si  Si176  1  0.417597  0.417311  0.418190  1
  Si  Si177  1  0.416658  0.416668  0.750009  1
  Si  Si178  1  0.416666  0.750014  0.083339  1
  Si  Si179  1  0.416637  0.750103  0.416722  1
  Si  Si180  1  0.416657  0.750003  0.750011  1
  Si  Si181  1  0.748855  0.083161  0.083747  1
  Si  Si182  1  0.748452  0.083324  0.418213  1
  Si  Si183  1  0.749992  0.083341  0.750007  1
  Si  Si184  1  0.748802  0.417285  0.083374  1
  Si  Si185  1  0.749856  0.416752  0.416811  1
  Si  Si186  1  0.748475  0.417306  0.749067  1
  Si  Si187  1  0.749633  0.750272  0.083526  1
  Si  Si188  1  0.749992  0.750002  0.416674  1
  Si  Si189  1  0.749945  0.750103  0.750030  1
  Si  Si190  1  0.174496  0.158834  0.992170  1
  Si  Si191  1  0.167825  0.165509  0.335466  1
  Si  Si192  1  0.166599  0.166734  0.666574  1
  Si  Si193  1  0.167827  0.502133  0.998839  1
  Si  Si194  1  0.165756  0.502643  0.335977  1
  Si  Si195  1  0.166601  0.500299  0.666554  1
  Si  Si196  1  0.166598  0.833242  0.000070  1
  Si  Si197  1  0.166599  0.833221  0.333634  1
  Si  Si198  1  0.166501  0.832956  0.666289  1
  Si  Si199  1  0.500093  0.166735  0.000067  1
  Si  Si200  1  0.500112  0.166733  0.333634  1
  Si  Si201  1  0.500377  0.166833  0.666289  1
  Si  Si202  1  0.500113  0.500300  0.000067  1
  Si  Si203  1  0.499997  0.500117  0.333449  1
  Si  Si204  1  0.499947  0.500015  0.666720  1
  Si  Si205  1  0.500376  0.832957  0.000164  1
  Si  Si206  1  0.499948  0.833384  0.333350  1
  Si  Si207  1  0.499928  0.833404  0.666738  1
  Si  Si208  1  0.831200  0.165509  0.998842  1
  Si  Si209  1  0.830684  0.167582  0.335970  1
  Si  Si210  1  0.833039  0.166729  0.666556  1
  Si  Si211  1  0.830684  0.502642  0.000909  1
  Si  Si212  1  0.832840  0.500492  0.333827  1
  Si  Si213  1  0.833217  0.500116  0.666667  1
  Si  Si214  1  0.833037  0.833220  0.000065  1
  Si  Si215  1  0.833218  0.833333  0.333450  1
  Si  Si216  1  0.833317  0.833385  0.666718  1
  Sn  Sn217  1  0.082502  0.250889  0.084185  1
