# generated using pymatgen
data_Si216Bi
_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   Si216Bi
_chemical_formula_sum   'Si216 Bi1'
_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  0.307573  0.308311  0.128961  1
  Si  Si2  1  0.249634  0.250020  0.417632  1
  Si  Si3  1  0.249185  0.249662  0.748502  1
  Si  Si4  1  0.249999  0.583330  0.083369  1
  Si  Si5  1  0.249965  0.585876  0.419303  1
  Si  Si6  1  0.249988  0.583333  0.750005  1
  Si  Si7  1  0.248662  0.916587  0.083385  1
  Si  Si8  1  0.249732  0.915752  0.417594  1
  Si  Si9  1  0.249330  0.913318  0.746926  1
  Si  Si10  1  0.582908  0.250458  0.083750  1
  Si  Si11  1  0.585505  0.250313  0.419123  1
  Si  Si12  1  0.583062  0.250075  0.750031  1
  Si  Si13  1  0.584888  0.585245  0.084107  1
  Si  Si14  1  0.583322  0.583333  0.416673  1
  Si  Si15  1  0.583313  0.583329  0.750026  1
  Si  Si16  1  0.582147  0.916959  0.083816  1
  Si  Si17  1  0.583262  0.916701  0.416662  1
  Si  Si18  1  0.582046  0.916551  0.750120  1
  Si  Si19  1  0.915948  0.249013  0.083199  1
  Si  Si20  1  0.915334  0.250113  0.417505  1
  Si  Si21  1  0.912693  0.249878  0.746594  1
  Si  Si22  1  0.916663  0.583324  0.083345  1
  Si  Si23  1  0.916671  0.583325  0.416662  1
  Si  Si24  1  0.916367  0.582862  0.750090  1
  Si  Si25  1  0.911467  0.911913  0.083613  1
  Si  Si26  1  0.916571  0.916659  0.416541  1
  Si  Si27  1  0.915620  0.916356  0.749691  1
  Si  Si28  1  0.989957  0.990564  0.994898  1
  Si  Si29  1  0.999910  0.999941  0.333409  1
  Si  Si30  1  0.998751  0.999440  0.665951  1
  Si  Si31  1  0.000251  0.331876  0.001014  1
  Si  Si32  1  0.998250  0.333996  0.335638  1
  Si  Si33  1  0.999007  0.333045  0.666414  1
  Si  Si34  1  0.999879  0.666607  0.000017  1
  Si  Si35  1  0.999848  0.666715  0.333349  1
  Si  Si36  1  0.999592  0.665922  0.666496  1
  Si  Si37  1  0.331509  0.000741  0.001032  1
  Si  Si38  1  0.333353  0.998914  0.335843  1
  Si  Si39  1  0.332618  0.999340  0.666414  1
  Si  Si40  1  0.338515  0.339292  0.995846  1
  Si  Si41  1  0.333728  0.334291  0.336169  1
  Si  Si42  1  0.333319  0.333408  0.666564  1
  Si  Si43  1  0.333227  0.666594  0.000073  1
  Si  Si44  1  0.333158  0.667043  0.333879  1
  Si  Si45  1  0.332904  0.667010  0.667057  1
  Si  Si46  1  0.665306  0.000041  0.000125  1
  Si  Si47  1  0.666615  0.999890  0.333365  1
  Si  Si48  1  0.665240  0.999636  0.666544  1
  Si  Si49  1  0.666452  0.333361  0.000150  1
  Si  Si50  1  0.666789  0.333366  0.333608  1
  Si  Si51  1  0.666373  0.333399  0.667091  1
  Si  Si52  1  0.666541  0.666889  0.000011  1
  Si  Si53  1  0.666574  0.666715  0.333268  1
  Si  Si54  1  0.666543  0.666595  0.666616  1
  Si  Si55  1  0.250812  0.082843  0.251706  1
  Si  Si56  1  0.249555  0.083071  0.583096  1
  Si  Si57  1  0.250757  0.076647  0.908579  1
  Si  Si58  1  0.252026  0.423465  0.257073  1
  Si  Si59  1  0.249945  0.416689  0.583347  1
  Si  Si60  1  0.248540  0.416881  0.915628  1
  Si  Si61  1  0.249971  0.750006  0.250012  1
  Si  Si62  1  0.249995  0.749986  0.583345  1
  Si  Si63  1  0.249977  0.749986  0.916653  1
  Si  Si64  1  0.583083  0.083583  0.250898  1
  Si  Si65  1  0.582976  0.083404  0.583308  1
  Si  Si66  1  0.582360  0.083598  0.916442  1
  Si  Si67  1  0.583637  0.416849  0.250231  1
  Si  Si68  1  0.583327  0.416776  0.583737  1
  Si  Si69  1  0.583329  0.416672  0.916656  1
  Si  Si70  1  0.583227  0.750239  0.250181  1
  Si  Si71  1  0.583303  0.750000  0.583332  1
  Si  Si72  1  0.582221  0.749864  0.917013  1
  Si  Si73  1  0.916635  0.083332  0.249995  1
  Si  Si74  1  0.915724  0.083289  0.582763  1
  Si  Si75  1  0.913405  0.082624  0.914452  1
  Si  Si76  1  0.916644  0.416648  0.250101  1
  Si  Si77  1  0.916376  0.416676  0.583237  1
  Si  Si78  1  0.917127  0.415885  0.917017  1
  Si  Si79  1  0.916659  0.749996  0.250005  1
  Si  Si80  1  0.916647  0.749977  0.583331  1
  Si  Si81  1  0.915765  0.749181  0.916495  1
  Si  Si82  1  0.000030  0.165871  0.165042  1
  Si  Si83  1  0.999342  0.166450  0.499493  1
  Si  Si84  1  0.994318  0.165992  0.828051  1
  Si  Si85  1  0.000116  0.499881  0.166638  1
  Si  Si86  1  0.999761  0.500122  0.500234  1
  Si  Si87  1  0.999878  0.499787  0.833457  1
  Si  Si88  1  0.999674  0.833175  0.166537  1
  Si  Si89  1  0.999639  0.833131  0.499538  1
  Si  Si90  1  0.998801  0.831625  0.831870  1
  Si  Si91  1  0.343430  0.167135  0.174546  1
  Si  Si92  1  0.333208  0.166653  0.500124  1
  Si  Si93  1  0.332440  0.166797  0.831472  1
  Si  Si94  1  0.334365  0.500789  0.166458  1
  Si  Si95  1  0.333229  0.500763  0.500702  1
  Si  Si96  1  0.332920  0.499909  0.833117  1
  Si  Si97  1  0.332781  0.833861  0.166778  1
  Si  Si98  1  0.333336  0.833013  0.500311  1
  Si  Si99  1  0.333017  0.833286  0.833093  1
  Si  Si100  1  0.666054  0.166841  0.166916  1
  Si  Si101  1  0.667332  0.166424  0.500878  1
  Si  Si102  1  0.666033  0.166626  0.833221  1
  Si  Si103  1  0.666851  0.500140  0.166862  1
  Si  Si104  1  0.666556  0.499956  0.500008  1
  Si  Si105  1  0.666465  0.499679  0.833186  1
  Si  Si106  1  0.666194  0.833587  0.166797  1
  Si  Si107  1  0.666524  0.833306  0.499902  1
  Si  Si108  1  0.665201  0.832981  0.833266  1
  Si  Si109  1  0.082278  0.251477  0.251588  1
  Si  Si110  1  0.082400  0.249893  0.582931  1
  Si  Si111  1  0.075924  0.251293  0.908330  1
  Si  Si112  1  0.083293  0.583491  0.250427  1
  Si  Si113  1  0.083324  0.583324  0.583340  1
  Si  Si114  1  0.083322  0.583333  0.916653  1
  Si  Si115  1  0.083322  0.916661  0.250001  1
  Si  Si116  1  0.082625  0.916352  0.582813  1
  Si  Si117  1  0.082163  0.914141  0.914555  1
  Si  Si118  1  0.422693  0.252394  0.256989  1
  Si  Si119  1  0.416660  0.249998  0.583340  1
  Si  Si120  1  0.416278  0.249198  0.915832  1
  Si  Si121  1  0.416709  0.584216  0.250448  1
  Si  Si122  1  0.416410  0.583808  0.584026  1
  Si  Si123  1  0.416657  0.583338  0.916657  1
  Si  Si124  1  0.415970  0.917028  0.250706  1
  Si  Si125  1  0.416601  0.916655  0.583314  1
  Si  Si126  1  0.415325  0.917388  0.917032  1
  Si  Si127  1  0.749989  0.249997  0.250002  1
  Si  Si128  1  0.748855  0.250271  0.583345  1
  Si  Si129  1  0.749499  0.249931  0.916551  1
  Si  Si130  1  0.750001  0.583340  0.250011  1
  Si  Si131  1  0.749994  0.583325  0.583331  1
  Si  Si132  1  0.749552  0.582956  0.916816  1
  Si  Si133  1  0.749964  0.916669  0.250015  1
  Si  Si134  1  0.749388  0.916785  0.583333  1
  Si  Si135  1  0.748202  0.916257  0.916605  1
  Si  Si136  1  0.165362  0.000574  0.165166  1
  Si  Si137  1  0.166237  0.999719  0.499781  1
  Si  Si138  1  0.165418  0.995189  0.828268  1
  Si  Si139  1  0.166530  0.344463  0.174657  1
  Si  Si140  1  0.166264  0.333472  0.500137  1
  Si  Si141  1  0.166256  0.332988  0.831330  1
  Si  Si142  1  0.166623  0.666544  0.166686  1
  Si  Si143  1  0.166364  0.667866  0.501155  1
  Si  Si144  1  0.166577  0.666587  0.833243  1
  Si  Si145  1  0.498949  0.000748  0.167119  1
  Si  Si146  1  0.499969  0.999886  0.500154  1
  Si  Si147  1  0.498881  0.000131  0.833353  1
  Si  Si148  1  0.499993  0.334752  0.166415  1
  Si  Si149  1  0.500376  0.333502  0.500542  1
  Si  Si150  1  0.499730  0.333075  0.833183  1
  Si  Si151  1  0.499934  0.667323  0.166986  1
  Si  Si152  1  0.499879  0.666619  0.500060  1
  Si  Si153  1  0.499503  0.666486  0.833151  1
  Si  Si154  1  0.832723  0.999931  0.166560  1
  Si  Si155  1  0.832901  0.999698  0.499656  1
  Si  Si156  1  0.830757  0.999250  0.831985  1
  Si  Si157  1  0.833384  0.333228  0.166586  1
  Si  Si158  1  0.832479  0.333351  0.500511  1
  Si  Si159  1  0.833019  0.333239  0.833235  1
  Si  Si160  1  0.833186  0.666689  0.166707  1
  Si  Si161  1  0.833311  0.666639  0.499942  1
  Si  Si162  1  0.832680  0.666021  0.833154  1
  Si  Si163  1  0.070029  0.070505  0.078675  1
  Si  Si164  1  0.083324  0.083350  0.416652  1
  Si  Si165  1  0.081997  0.082659  0.748895  1
  Si  Si166  1  0.083714  0.417304  0.082570  1
  Si  Si167  1  0.082814  0.417176  0.417583  1
  Si  Si168  1  0.082524  0.416612  0.749350  1
  Si  Si169  1  0.083310  0.749994  0.083334  1
  Si  Si170  1  0.083323  0.749998  0.416656  1
  Si  Si171  1  0.082872  0.748843  0.749305  1
  Si  Si172  1  0.416671  0.084375  0.082733  1
  Si  Si173  1  0.416846  0.083087  0.417785  1
  Si  Si174  1  0.415920  0.083036  0.749341  1
  Si  Si175  1  0.420894  0.421485  0.081408  1
  Si  Si176  1  0.416993  0.417387  0.418117  1
  Si  Si177  1  0.416523  0.416607  0.750077  1
  Si  Si178  1  0.415966  0.750200  0.083620  1
  Si  Si179  1  0.416639  0.750060  0.416711  1
  Si  Si180  1  0.416551  0.750020  0.750037  1
  Si  Si181  1  0.748950  0.083150  0.083442  1
  Si  Si182  1  0.749971  0.083340  0.416657  1
  Si  Si183  1  0.748181  0.083132  0.749145  1
  Si  Si184  1  0.749992  0.416657  0.083339  1
  Si  Si185  1  0.749998  0.416668  0.416668  1
  Si  Si186  1  0.749989  0.416665  0.750008  1
  Si  Si187  1  0.748516  0.749064  0.083640  1
  Si  Si188  1  0.749993  0.750000  0.416656  1
  Si  Si189  1  0.749409  0.749945  0.750169  1
  Si  Si190  1  0.139597  0.140236  0.967534  1
  Si  Si191  1  0.166458  0.167040  0.334032  1
  Si  Si192  1  0.165560  0.166147  0.666028  1
  Si  Si193  1  0.166778  0.500325  0.999924  1
  Si  Si194  1  0.165709  0.504313  0.338274  1
  Si  Si195  1  0.166540  0.500008  0.666761  1
  Si  Si196  1  0.166112  0.833094  0.999625  1
  Si  Si197  1  0.166557  0.833232  0.333438  1
  Si  Si198  1  0.165564  0.831646  0.665091  1
  Si  Si199  1  0.499876  0.167349  0.000045  1
  Si  Si200  1  0.503693  0.166167  0.338331  1
  Si  Si201  1  0.499812  0.166641  0.666779  1
  Si  Si202  1  0.503964  0.504069  0.999499  1
  Si  Si203  1  0.499920  0.500118  0.333462  1
  Si  Si204  1  0.499873  0.500122  0.666884  1
  Si  Si205  1  0.498895  0.833704  0.000206  1
  Si  Si206  1  0.499847  0.833488  0.333372  1
  Si  Si207  1  0.499469  0.833159  0.666542  1
  Si  Si208  1  0.832270  0.166115  0.999803  1
  Si  Si209  1  0.833172  0.166590  0.333427  1
  Si  Si210  1  0.830802  0.166079  0.664956  1
  Si  Si211  1  0.833443  0.499775  0.999995  1
  Si  Si212  1  0.833284  0.500098  0.333288  1
  Si  Si213  1  0.833206  0.499784  0.666658  1
  Si  Si214  1  0.830033  0.830698  0.999327  1
  Si  Si215  1  0.833300  0.833331  0.333191  1
  Si  Si216  1  0.832649  0.833058  0.666408  1
  Bi  Bi217  1  0.190450  0.191569  0.105951  1
