# generated using pymatgen
data_CrSi216
_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   CrSi216
_chemical_formula_sum   'Cr1 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
  Cr  Cr1  1  0.999407  0.333934  0.165838  1
  Si  Si2  1  0.250033  0.249435  0.082897  1
  Si  Si3  1  0.250539  0.250439  0.416787  1
  Si  Si4  1  0.250095  0.249773  0.749931  1
  Si  Si5  1  0.250932  0.583931  0.083614  1
  Si  Si6  1  0.250268  0.583201  0.416509  1
  Si  Si7  1  0.250184  0.583137  0.749637  1
  Si  Si8  1  0.250218  0.916352  0.083116  1
  Si  Si9  1  0.250114  0.916411  0.416369  1
  Si  Si10  1  0.250157  0.916545  0.749722  1
  Si  Si11  1  0.583589  0.249766  0.083201  1
  Si  Si12  1  0.583666  0.249782  0.416336  1
  Si  Si13  1  0.583248  0.249895  0.749495  1
  Si  Si14  1  0.583675  0.582954  0.083194  1
  Si  Si15  1  0.583322  0.583131  0.416438  1
  Si  Si16  1  0.583571  0.583009  0.749837  1
  Si  Si17  1  0.583495  0.916291  0.083249  1
  Si  Si18  1  0.583468  0.916462  0.416401  1
  Si  Si19  1  0.583608  0.916458  0.749820  1
  Si  Si20  1  0.913741  0.244966  0.080064  1
  Si  Si21  1  0.916543  0.249424  0.416369  1
  Si  Si22  1  0.916968  0.249778  0.749852  1
  Si  Si23  1  0.916842  0.582399  0.083227  1
  Si  Si24  1  0.917327  0.583923  0.417275  1
  Si  Si25  1  0.916912  0.582922  0.749955  1
  Si  Si26  1  0.916912  0.916394  0.083188  1
  Si  Si27  1  0.916870  0.916299  0.416479  1
  Si  Si28  1  0.917036  0.916295  0.749792  1
  Si  Si29  1  0.000245  0.999768  0.000009  1
  Si  Si30  1  0.000096  0.999639  0.333088  1
  Si  Si31  1  0.000262  0.999871  0.666643  1
  Si  Si32  1  0.999882  0.333478  0.000760  1
  Si  Si33  1  0.999681  0.333610  0.334746  1
  Si  Si34  1  0.000215  0.333112  0.666581  1
  Si  Si35  1  0.000128  0.666459  0.000184  1
  Si  Si36  1  0.000254  0.666377  0.332871  1
  Si  Si37  1  0.000214  0.666327  0.666606  1
  Si  Si38  1  0.333533  0.999850  0.999901  1
  Si  Si39  1  0.333563  0.999758  0.333174  1
  Si  Si40  1  0.333506  0.999864  0.666417  1
  Si  Si41  1  0.333544  0.333101  0.999966  1
  Si  Si42  1  0.333589  0.333258  0.333028  1
  Si  Si43  1  0.333500  0.333115  0.666599  1
  Si  Si44  1  0.333906  0.666923  0.999621  1
  Si  Si45  1  0.333555  0.666436  0.333079  1
  Si  Si46  1  0.333537  0.666497  0.666390  1
  Si  Si47  1  0.666479  0.999482  0.999659  1
  Si  Si48  1  0.666854  0.999739  0.333117  1
  Si  Si49  1  0.666882  0.999812  0.666445  1
  Si  Si50  1  0.666895  0.333242  0.000220  1
  Si  Si51  1  0.666910  0.333044  0.332860  1
  Si  Si52  1  0.667008  0.333116  0.666608  1
  Si  Si53  1  0.666906  0.666421  0.999875  1
  Si  Si54  1  0.666224  0.667041  0.333275  1
  Si  Si55  1  0.666897  0.666451  0.666610  1
  Si  Si56  1  0.250519  0.082771  0.249191  1
  Si  Si57  1  0.250167  0.083230  0.583096  1
  Si  Si58  1  0.250290  0.083084  0.916392  1
  Si  Si59  1  0.250032  0.416860  0.250191  1
  Si  Si60  1  0.250205  0.416408  0.583256  1
  Si  Si61  1  0.250884  0.415972  0.915782  1
  Si  Si62  1  0.250062  0.749640  0.249802  1
  Si  Si63  1  0.250118  0.749787  0.583070  1
  Si  Si64  1  0.250246  0.750003  0.916363  1
  Si  Si65  1  0.583695  0.083271  0.249841  1
  Si  Si66  1  0.583511  0.083154  0.583107  1
  Si  Si67  1  0.583429  0.083180  0.916401  1
  Si  Si68  1  0.583504  0.416361  0.249803  1
  Si  Si69  1  0.583459  0.416330  0.583377  1
  Si  Si70  1  0.583706  0.416458  0.916693  1
  Si  Si71  1  0.583168  0.750144  0.249731  1
  Si  Si72  1  0.583550  0.749694  0.583168  1
  Si  Si73  1  0.583605  0.749767  0.916569  1
  Si  Si74  1  0.916518  0.083218  0.250272  1
  Si  Si75  1  0.916878  0.083053  0.583293  1
  Si  Si76  1  0.917405  0.082449  0.915824  1
  Si  Si77  1  0.913631  0.419689  0.254772  1
  Si  Si78  1  0.916889  0.416366  0.583203  1
  Si  Si79  1  0.916871  0.416537  0.917316  1
  Si  Si80  1  0.916909  0.749773  0.249826  1
  Si  Si81  1  0.917005  0.749893  0.583410  1
  Si  Si82  1  0.916893  0.749633  0.916675  1
  Si  Si83  1  0.999667  0.164857  0.166108  1
  Si  Si84  1  0.000052  0.166474  0.499912  1
  Si  Si85  1  0.000331  0.166749  0.833269  1
  Si  Si86  1  0.999817  0.498853  0.166234  1
  Si  Si87  1  0.000138  0.499611  0.499854  1
  Si  Si88  1  0.000173  0.499452  0.833159  1
  Si  Si89  1  0.000187  0.832961  0.166447  1
  Si  Si90  1  0.000203  0.833009  0.499770  1
  Si  Si91  1  0.000221  0.832986  0.833285  1
  Si  Si92  1  0.333606  0.166491  0.166361  1
  Si  Si93  1  0.333600  0.166479  0.499809  1
  Si  Si94  1  0.333570  0.166516  0.833142  1
  Si  Si95  1  0.333541  0.499660  0.166436  1
  Si  Si96  1  0.333457  0.499647  0.499731  1
  Si  Si97  1  0.333864  0.499945  0.832757  1
  Si  Si98  1  0.333460  0.833008  0.166454  1
  Si  Si99  1  0.333471  0.833110  0.499750  1
  Si  Si100  1  0.333605  0.833267  0.833030  1
  Si  Si101  1  0.666959  0.166766  0.166620  1
  Si  Si102  1  0.666857  0.166486  0.499816  1
  Si  Si103  1  0.666371  0.166418  0.832592  1
  Si  Si104  1  0.666827  0.499456  0.166478  1
  Si  Si105  1  0.666413  0.499986  0.500202  1
  Si  Si106  1  0.666920  0.499716  0.833180  1
  Si  Si107  1  0.666949  0.833018  0.166492  1
  Si  Si108  1  0.666781  0.833164  0.499852  1
  Si  Si109  1  0.666899  0.833074  0.833165  1
  Si  Si110  1  0.085823  0.247442  0.252149  1
  Si  Si111  1  0.083457  0.249820  0.583105  1
  Si  Si112  1  0.083398  0.249977  0.917366  1
  Si  Si113  1  0.083324  0.582305  0.249640  1
  Si  Si114  1  0.083467  0.583067  0.583163  1
  Si  Si115  1  0.082866  0.584152  0.915488  1
  Si  Si116  1  0.083463  0.916382  0.249723  1
  Si  Si117  1  0.083432  0.916560  0.583031  1
  Si  Si118  1  0.083505  0.916425  0.916476  1
  Si  Si119  1  0.416863  0.249856  0.249694  1
  Si  Si120  1  0.416817  0.249925  0.583018  1
  Si  Si121  1  0.416941  0.249867  0.916466  1
  Si  Si122  1  0.416908  0.583106  0.249708  1
  Si  Si123  1  0.416760  0.583043  0.583027  1
  Si  Si124  1  0.416972  0.583149  0.916451  1
  Si  Si125  1  0.416752  0.916595  0.249622  1
  Si  Si126  1  0.416797  0.916497  0.583037  1
  Si  Si127  1  0.416869  0.916555  0.916501  1
  Si  Si128  1  0.751062  0.249975  0.249689  1
  Si  Si129  1  0.750212  0.249807  0.583173  1
  Si  Si130  1  0.749240  0.250536  0.915538  1
  Si  Si131  1  0.749130  0.584151  0.249195  1
  Si  Si132  1  0.750220  0.583128  0.583265  1
  Si  Si133  1  0.750124  0.583227  0.916357  1
  Si  Si134  1  0.750203  0.916385  0.249763  1
  Si  Si135  1  0.750258  0.916496  0.583086  1
  Si  Si136  1  0.750247  0.916404  0.916485  1
  Si  Si137  1  0.166809  0.999675  0.166374  1
  Si  Si138  1  0.166917  0.999748  0.499846  1
  Si  Si139  1  0.166839  0.999812  0.833149  1
  Si  Si140  1  0.168436  0.333645  0.166060  1
  Si  Si141  1  0.166776  0.333235  0.499871  1
  Si  Si142  1  0.166610  0.333038  0.833223  1
  Si  Si143  1  0.166556  0.666400  0.166560  1
  Si  Si144  1  0.166799  0.666411  0.499798  1
  Si  Si145  1  0.167010  0.667041  0.832561  1
  Si  Si146  1  0.500345  0.999904  0.166460  1
  Si  Si147  1  0.500159  0.999842  0.499744  1
  Si  Si148  1  0.500176  0.999811  0.833075  1
  Si  Si149  1  0.500299  0.333130  0.166413  1
  Si  Si150  1  0.500331  0.333150  0.499736  1
  Si  Si151  1  0.500351  0.333151  0.833264  1
  Si  Si152  1  0.500322  0.666376  0.166485  1
  Si  Si153  1  0.500084  0.666499  0.499805  1
  Si  Si154  1  0.500299  0.666480  0.833136  1
  Si  Si155  1  0.833690  0.999749  0.166515  1
  Si  Si156  1  0.833628  0.999787  0.499788  1
  Si  Si157  1  0.833447  0.999505  0.832791  1
  Si  Si158  1  0.834479  0.333498  0.166263  1
  Si  Si159  1  0.833648  0.333123  0.499870  1
  Si  Si160  1  0.833934  0.333221  0.833197  1
  Si  Si161  1  0.833817  0.666477  0.166477  1
  Si  Si162  1  0.833359  0.666928  0.500218  1
  Si  Si163  1  0.833605  0.666437  0.833158  1
  Si  Si164  1  0.083902  0.083291  0.082910  1
  Si  Si165  1  0.082887  0.082746  0.416822  1
  Si  Si166  1  0.083619  0.083319  0.749948  1
  Si  Si167  1  0.088341  0.419603  0.080061  1
  Si  Si168  1  0.083855  0.416769  0.416318  1
  Si  Si169  1  0.083576  0.416401  0.749801  1
  Si  Si170  1  0.083584  0.749799  0.083143  1
  Si  Si171  1  0.083510  0.749630  0.416345  1
  Si  Si172  1  0.083452  0.750084  0.749486  1
  Si  Si173  1  0.417022  0.083157  0.083115  1
  Si  Si174  1  0.416885  0.083226  0.416359  1
  Si  Si175  1  0.416847  0.083187  0.749738  1
  Si  Si176  1  0.416915  0.416442  0.083127  1
  Si  Si177  1  0.416977  0.416421  0.416440  1
  Si  Si178  1  0.417064  0.416343  0.749762  1
  Si  Si179  1  0.417102  0.749889  0.083254  1
  Si  Si180  1  0.416806  0.749821  0.416370  1
  Si  Si181  1  0.416924  0.749789  0.749762  1
  Si  Si182  1  0.749462  0.082414  0.083695  1
  Si  Si183  1  0.750089  0.082995  0.416561  1
  Si  Si184  1  0.750240  0.083195  0.749682  1
  Si  Si185  1  0.750995  0.416501  0.083244  1
  Si  Si186  1  0.749378  0.415963  0.417261  1
  Si  Si187  1  0.750417  0.416410  0.749972  1
  Si  Si188  1  0.750358  0.749651  0.083190  1
  Si  Si189  1  0.750134  0.749916  0.416462  1
  Si  Si190  1  0.750329  0.749793  0.749847  1
  Si  Si191  1  0.167048  0.166285  0.999646  1
  Si  Si192  1  0.168289  0.164998  0.334603  1
  Si  Si193  1  0.166824  0.166567  0.666442  1
  Si  Si194  1  0.169264  0.502569  0.997102  1
  Si  Si195  1  0.166982  0.500032  0.333321  1
  Si  Si196  1  0.166826  0.499791  0.666510  1
  Si  Si197  1  0.166862  0.833084  0.999764  1
  Si  Si198  1  0.166780  0.833074  0.333078  1
  Si  Si199  1  0.166855  0.833338  0.666266  1
  Si  Si200  1  0.500292  0.166545  0.999787  1
  Si  Si201  1  0.500199  0.166566  0.333058  1
  Si  Si202  1  0.500013  0.166484  0.666270  1
  Si  Si203  1  0.500202  0.499815  0.999835  1
  Si  Si204  1  0.500227  0.499765  0.333071  1
  Si  Si205  1  0.500139  0.499816  0.666453  1
  Si  Si206  1  0.500203  0.833189  0.999787  1
  Si  Si207  1  0.499920  0.833370  0.333103  1
  Si  Si208  1  0.500216  0.833194  0.666402  1
  Si  Si209  1  0.830796  0.164071  0.997133  1
  Si  Si210  1  0.833301  0.166259  0.333382  1
  Si  Si211  1  0.833570  0.166526  0.666536  1
  Si  Si212  1  0.833422  0.499951  0.999773  1
  Si  Si213  1  0.830677  0.502625  0.335708  1
  Si  Si214  1  0.833576  0.499743  0.666491  1
  Si  Si215  1  0.833546  0.833116  0.999858  1
  Si  Si216  1  0.833502  0.833040  0.333118  1
  Si  Si217  1  0.833537  0.833212  0.666512  1