# generated using pymatgen
data_Si215Bi
_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   Si215Bi
_chemical_formula_sum   'Si215 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  0.250033  0.249948  0.417500  1
  Si  Si2  1  0.249959  0.249952  0.749213  1
  Si  Si3  1  0.249988  0.584141  0.083329  1
  Si  Si4  1  0.250221  0.584359  0.417787  1
  Si  Si5  1  0.249810  0.584445  0.748883  1
  Si  Si6  1  0.249967  0.915828  0.083345  1
  Si  Si7  1  0.249839  0.915559  0.417827  1
  Si  Si8  1  0.250167  0.915549  0.748933  1
  Si  Si9  1  0.584077  0.250005  0.083389  1
  Si  Si10  1  0.584431  0.250176  0.417758  1
  Si  Si11  1  0.584381  0.249831  0.748919  1
  Si  Si12  1  0.584394  0.584430  0.083483  1
  Si  Si13  1  0.583529  0.583427  0.416797  1
  Si  Si14  1  0.583469  0.583479  0.749964  1
  Si  Si15  1  0.584397  0.915542  0.083238  1
  Si  Si16  1  0.583466  0.916397  0.416807  1
  Si  Si17  1  0.583498  0.916624  0.749984  1
  Si  Si18  1  0.915835  0.250019  0.083342  1
  Si  Si19  1  0.915573  0.249826  0.417747  1
  Si  Si20  1  0.915558  0.250211  0.748844  1
  Si  Si21  1  0.915610  0.584369  0.083113  1
  Si  Si22  1  0.916640  0.583519  0.416712  1
  Si  Si23  1  0.916539  0.583483  0.749898  1
  Si  Si24  1  0.915561  0.915664  0.083533  1
  Si  Si25  1  0.916580  0.916481  0.416766  1
  Si  Si26  1  0.916392  0.916628  0.749920  1
  Si  Si27  1  0.998093  0.998194  0.999563  1
  Si  Si28  1  0.999872  0.999887  0.333419  1
  Si  Si29  1  0.999684  0.999712  0.666445  1
  Si  Si30  1  0.999085  0.333187  0.000072  1
  Si  Si31  1  0.998146  0.333782  0.335221  1
  Si  Si32  1  0.999777  0.333411  0.666389  1
  Si  Si33  1  0.999753  0.666854  0.999870  1
  Si  Si34  1  0.999880  0.666897  0.333527  1
  Si  Si35  1  0.999823  0.666730  0.666681  1
  Si  Si36  1  0.333193  0.999049  0.000125  1
  Si  Si37  1  0.333790  0.998092  0.335260  1
  Si  Si38  1  0.333432  0.999744  0.666508  1
  Si  Si39  1  0.343045  0.343146  0.990193  1
  Si  Si40  1  0.333245  0.333161  0.334235  1
  Si  Si41  1  0.333506  0.333453  0.666374  1
  Si  Si42  1  0.333532  0.666995  0.999847  1
  Si  Si43  1  0.333415  0.666834  0.333589  1
  Si  Si44  1  0.333663  0.667101  0.666202  1
  Si  Si45  1  0.666740  0.999883  0.000034  1
  Si  Si46  1  0.666882  0.999663  0.333629  1
  Si  Si47  1  0.666704  0.999852  0.666673  1
  Si  Si48  1  0.666922  0.333511  0.999861  1
  Si  Si49  1  0.666807  0.333474  0.333536  1
  Si  Si50  1  0.667128  0.333560  0.666198  1
  Si  Si51  1  0.667197  0.667172  0.999834  1
  Si  Si52  1  0.666803  0.666664  0.333541  1
  Si  Si53  1  0.666802  0.666687  0.666694  1
  Si  Si54  1  0.249265  0.080333  0.252964  1
  Si  Si55  1  0.250004  0.083039  0.583379  1
  Si  Si56  1  0.250726  0.080330  0.913732  1
  Si  Si57  1  0.250774  0.419564  0.252965  1
  Si  Si58  1  0.250040  0.416886  0.583349  1
  Si  Si59  1  0.249165  0.419634  0.913683  1
  Si  Si60  1  0.249978  0.749977  0.250283  1
  Si  Si61  1  0.250125  0.749982  0.583406  1
  Si  Si62  1  0.250064  0.749997  0.916400  1
  Si  Si63  1  0.583838  0.083055  0.250293  1
  Si  Si64  1  0.583521  0.083074  0.583370  1
  Si  Si65  1  0.583575  0.083149  0.916443  1
  Si  Si66  1  0.583580  0.416955  0.250210  1
  Si  Si67  1  0.583553  0.416913  0.583304  1
  Si  Si68  1  0.583826  0.416860  0.916477  1
  Si  Si69  1  0.583557  0.749849  0.250248  1
  Si  Si70  1  0.583624  0.749934  0.583367  1
  Si  Si71  1  0.583563  0.750082  0.916520  1
  Si  Si72  1  0.916354  0.083104  0.250260  1
  Si  Si73  1  0.916470  0.083071  0.583224  1
  Si  Si74  1  0.916077  0.083206  0.916487  1
  Si  Si75  1  0.916151  0.416867  0.250194  1
  Si  Si76  1  0.916471  0.416924  0.583316  1
  Si  Si77  1  0.916388  0.416907  0.916371  1
  Si  Si78  1  0.916648  0.750069  0.250168  1
  Si  Si79  1  0.916530  0.750077  0.583443  1
  Si  Si80  1  0.916423  0.750022  0.916465  1
  Si  Si81  1  0.999082  0.166808  0.166579  1
  Si  Si82  1  0.999792  0.166546  0.500142  1
  Si  Si83  1  0.998068  0.166226  0.831415  1
  Si  Si84  1  0.998156  0.501831  0.167089  1
  Si  Si85  1  0.999775  0.500281  0.500188  1
  Si  Si86  1  0.999897  0.500101  0.833189  1
  Si  Si87  1  0.999866  0.833186  0.166650  1
  Si  Si88  1  0.999833  0.833254  0.500044  1
  Si  Si89  1  0.999654  0.833183  0.833095  1
  Si  Si90  1  0.343142  0.156813  0.176463  1
  Si  Si91  1  0.333527  0.166434  0.500371  1
  Si  Si92  1  0.333177  0.166754  0.832476  1
  Si  Si93  1  0.333184  0.500888  0.166571  1
  Si  Si94  1  0.333483  0.500145  0.500194  1
  Si  Si95  1  0.333736  0.501880  0.831441  1
  Si  Si96  1  0.333482  0.832989  0.166881  1
  Si  Si97  1  0.333632  0.832845  0.500533  1
  Si  Si98  1  0.333469  0.833121  0.833082  1
  Si  Si99  1  0.666903  0.166523  0.166955  1
  Si  Si100  1  0.667146  0.166414  0.500459  1
  Si  Si101  1  0.666837  0.166640  0.833133  1
  Si  Si102  1  0.666847  0.500236  0.166715  1
  Si  Si103  1  0.666780  0.500228  0.500087  1
  Si  Si104  1  0.666880  0.500236  0.833141  1
  Si  Si105  1  0.667170  0.832791  0.166922  1
  Si  Si106  1  0.666841  0.833163  0.500036  1
  Si  Si107  1  0.666704  0.833384  0.833265  1
  Si  Si108  1  0.080400  0.249224  0.252982  1
  Si  Si109  1  0.083095  0.249925  0.583319  1
  Si  Si110  1  0.080353  0.250731  0.913669  1
  Si  Si111  1  0.083183  0.583818  0.250176  1
  Si  Si112  1  0.083109  0.583563  0.583376  1
  Si  Si113  1  0.083069  0.583620  0.916386  1
  Si  Si114  1  0.083101  0.916388  0.250248  1
  Si  Si115  1  0.083086  0.916430  0.583324  1
  Si  Si116  1  0.083066  0.916144  0.916484  1
  Si  Si117  1  0.419624  0.250715  0.252941  1
  Si  Si118  1  0.416925  0.249967  0.583359  1
  Si  Si119  1  0.419556  0.249226  0.913761  1
  Si  Si120  1  0.416891  0.583607  0.250270  1
  Si  Si121  1  0.416984  0.583433  0.583313  1
  Si  Si122  1  0.416841  0.583883  0.916432  1
  Si  Si123  1  0.416856  0.916065  0.250281  1
  Si  Si124  1  0.416979  0.916463  0.583445  1
  Si  Si125  1  0.416912  0.916367  0.916427  1
  Si  Si126  1  0.749961  0.250032  0.250292  1
  Si  Si127  1  0.749948  0.250091  0.583225  1
  Si  Si128  1  0.749963  0.250087  0.916427  1
  Si  Si129  1  0.750012  0.583557  0.250140  1
  Si  Si130  1  0.750115  0.583561  0.583341  1
  Si  Si131  1  0.750044  0.583525  0.916463  1
  Si  Si132  1  0.750050  0.916452  0.250235  1
  Si  Si133  1  0.749935  0.916476  0.583386  1
  Si  Si134  1  0.749865  0.916662  0.916524  1
  Si  Si135  1  0.166770  0.999116  0.166547  1
  Si  Si136  1  0.166566  0.999749  0.500235  1
  Si  Si137  1  0.166178  0.998088  0.831468  1
  Si  Si138  1  0.156885  0.343083  0.176452  1
  Si  Si139  1  0.166526  0.333461  0.500354  1
  Si  Si140  1  0.166716  0.333221  0.832387  1
  Si  Si141  1  0.166490  0.666996  0.166823  1
  Si  Si142  1  0.166548  0.667133  0.500520  1
  Si  Si143  1  0.166591  0.666872  0.833128  1
  Si  Si144  1  0.501845  0.998067  0.167192  1
  Si  Si145  1  0.500299  0.999678  0.500220  1
  Si  Si146  1  0.500070  0.999936  0.833279  1
  Si  Si147  1  0.500822  0.333256  0.166540  1
  Si  Si148  1  0.500240  0.333395  0.500217  1
  Si  Si149  1  0.501823  0.333757  0.831493  1
  Si  Si150  1  0.500202  0.666819  0.166765  1
  Si  Si151  1  0.500282  0.666656  0.500087  1
  Si  Si152  1  0.500275  0.666933  0.833149  1
  Si  Si153  1  0.833085  0.999834  0.166766  1
  Si  Si154  1  0.833280  0.999713  0.500039  1
  Si  Si155  1  0.833018  0.999893  0.833111  1
  Si  Si156  1  0.832977  0.333516  0.166857  1
  Si  Si157  1  0.832824  0.333624  0.500388  1
  Si  Si158  1  0.833125  0.333440  0.833072  1
  Si  Si159  1  0.832979  0.667165  0.166855  1
  Si  Si160  1  0.833419  0.666770  0.500068  1
  Si  Si161  1  0.833283  0.666719  0.833173  1
  Si  Si162  1  0.080361  0.080424  0.084111  1
  Si  Si163  1  0.083099  0.083034  0.416929  1
  Si  Si164  1  0.083063  0.083064  0.749474  1
  Si  Si165  1  0.080384  0.419558  0.082547  1
  Si  Si166  1  0.083161  0.416845  0.417238  1
  Si  Si167  1  0.083064  0.416922  0.749635  1
  Si  Si168  1  0.083115  0.749969  0.083234  1
  Si  Si169  1  0.083187  0.750007  0.416893  1
  Si  Si170  1  0.083066  0.750000  0.749890  1
  Si  Si171  1  0.419610  0.080300  0.082592  1
  Si  Si172  1  0.416899  0.083082  0.417247  1
  Si  Si173  1  0.416887  0.083089  0.749738  1
  Si  Si174  1  0.419553  0.419646  0.084066  1
  Si  Si175  1  0.416968  0.416869  0.416931  1
  Si  Si176  1  0.416847  0.416847  0.749495  1
  Si  Si177  1  0.416915  0.750007  0.083382  1
  Si  Si178  1  0.416927  0.749873  0.416925  1
  Si  Si179  1  0.416997  0.750051  0.749796  1
  Si  Si180  1  0.749902  0.083185  0.083421  1
  Si  Si181  1  0.750049  0.083043  0.416863  1
  Si  Si182  1  0.749949  0.083254  0.749756  1
  Si  Si183  1  0.749972  0.416913  0.083321  1
  Si  Si184  1  0.749955  0.416994  0.416762  1
  Si  Si185  1  0.750018  0.416938  0.749799  1
  Si  Si186  1  0.750120  0.750052  0.083337  1
  Si  Si187  1  0.750194  0.749971  0.416763  1
  Si  Si188  1  0.749921  0.750051  0.749989  1
  Si  Si189  1  0.156861  0.156876  0.990201  1
  Si  Si190  1  0.166813  0.166737  0.334235  1
  Si  Si191  1  0.166459  0.166417  0.666373  1
  Si  Si192  1  0.166742  0.500901  0.000112  1
  Si  Si193  1  0.166251  0.501827  0.335222  1
  Si  Si194  1  0.166589  0.500228  0.666438  1
  Si  Si195  1  0.166506  0.832997  0.999762  1
  Si  Si196  1  0.166595  0.833159  0.333578  1
  Si  Si197  1  0.166457  0.832803  0.666210  1
  Si  Si198  1  0.500834  0.166784  0.000167  1
  Si  Si199  1  0.501870  0.166202  0.335244  1
  Si  Si200  1  0.500218  0.166545  0.666483  1
  Si  Si201  1  0.501829  0.501886  0.999523  1
  Si  Si202  1  0.500116  0.500122  0.333447  1
  Si  Si203  1  0.500295  0.500208  0.666530  1
  Si  Si204  1  0.500206  0.833150  0.999960  1
  Si  Si205  1  0.500253  0.832989  0.333592  1
  Si  Si206  1  0.500346  0.833297  0.666653  1
  Si  Si207  1  0.832928  0.166545  0.999855  1
  Si  Si208  1  0.833115  0.166585  0.333568  1
  Si  Si209  1  0.832845  0.166520  0.666059  1
  Si  Si210  1  0.833141  0.500178  0.999895  1
  Si  Si211  1  0.833164  0.500307  0.333515  1
  Si  Si212  1  0.833324  0.500206  0.666630  1
  Si  Si213  1  0.832836  0.832988  0.999771  1
  Si  Si214  1  0.833401  0.833272  0.333424  1
  Si  Si215  1  0.833174  0.833272  0.666677  1
  Bi  Bi216  1  0.250006  0.249950  0.083341  1