# 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  0.083369  0.250034  0.083323  1
  Si  Si2  1  0.251336  0.249820  0.083546  1
  Si  Si3  1  0.250123  0.249882  0.417132  1
  Si  Si4  1  0.250192  0.249718  0.749878  1
  Si  Si5  1  0.250197  0.583480  0.083581  1
  Si  Si6  1  0.250533  0.583610  0.417264  1
  Si  Si7  1  0.250377  0.583139  0.750146  1
  Si  Si8  1  0.250150  0.916202  0.083438  1
  Si  Si9  1  0.250301  0.916372  0.416919  1
  Si  Si10  1  0.250577  0.916045  0.749703  1
  Si  Si11  1  0.583623  0.249781  0.083571  1
  Si  Si12  1  0.583605  0.249787  0.416842  1
  Si  Si13  1  0.583637  0.249763  0.750257  1
  Si  Si14  1  0.583616  0.583072  0.083560  1
  Si  Si15  1  0.583625  0.583238  0.416966  1
  Si  Si16  1  0.583517  0.583181  0.750115  1
  Si  Si17  1  0.583615  0.916488  0.083524  1
  Si  Si18  1  0.583526  0.916352  0.416950  1
  Si  Si19  1  0.583659  0.916373  0.750091  1
  Si  Si20  1  0.915724  0.249899  0.083452  1
  Si  Si21  1  0.917037  0.249730  0.417224  1
  Si  Si22  1  0.917039  0.249884  0.749947  1
  Si  Si23  1  0.916994  0.583446  0.083508  1
  Si  Si24  1  0.916898  0.583201  0.417060  1
  Si  Si25  1  0.916592  0.583728  0.749655  1
  Si  Si26  1  0.917034  0.916149  0.083650  1
  Si  Si27  1  0.916613  0.916162  0.417203  1
  Si  Si28  1  0.916939  0.916287  0.750151  1
  Si  Si29  1  0.999855  0.999730  0.999791  1
  Si  Si30  1  0.000887  0.998991  0.334367  1
  Si  Si31  1  0.000166  0.999697  0.666873  1
  Si  Si32  1  0.996451  0.337012  0.996352  1
  Si  Si33  1  0.999831  0.333565  0.333610  1
  Si  Si34  1  0.000307  0.333122  0.666738  1
  Si  Si35  1  0.000289  0.666619  0.000237  1
  Si  Si36  1  0.000119  0.666482  0.333662  1
  Si  Si37  1  0.000370  0.666708  0.666634  1
  Si  Si38  1  0.334453  0.998959  0.000838  1
  Si  Si39  1  0.333966  0.999455  0.333864  1
  Si  Si40  1  0.333676  0.999711  0.666604  1
  Si  Si41  1  0.333646  0.333524  0.999764  1
  Si  Si42  1  0.334404  0.332499  0.334353  1
  Si  Si43  1  0.333692  0.333237  0.666869  1
  Si  Si44  1  0.333700  0.666481  0.000060  1
  Si  Si45  1  0.333649  0.666672  0.333574  1
  Si  Si46  1  0.333630  0.666457  0.666828  1
  Si  Si47  1  0.666934  0.999713  0.000071  1
  Si  Si48  1  0.666686  0.999740  0.333598  1
  Si  Si49  1  0.666945  0.999778  0.666875  1
  Si  Si50  1  0.666801  0.333104  0.000230  1
  Si  Si51  1  0.666917  0.333285  0.333670  1
  Si  Si52  1  0.666686  0.333023  0.666624  1
  Si  Si53  1  0.666691  0.666714  0.000311  1
  Si  Si54  1  0.666897  0.666521  0.333588  1
  Si  Si55  1  0.666921  0.666457  0.666877  1
  Si  Si56  1  0.250706  0.082694  0.250632  1
  Si  Si57  1  0.250355  0.083040  0.583396  1
  Si  Si58  1  0.253210  0.080168  0.913772  1
  Si  Si59  1  0.253200  0.419598  0.253141  1
  Si  Si60  1  0.250373  0.416530  0.583588  1
  Si  Si61  1  0.250722  0.416816  0.916513  1
  Si  Si62  1  0.250330  0.749911  0.250274  1
  Si  Si63  1  0.250391  0.749767  0.583522  1
  Si  Si64  1  0.250392  0.749749  0.916756  1
  Si  Si65  1  0.583500  0.083074  0.250266  1
  Si  Si66  1  0.583640  0.083016  0.583556  1
  Si  Si67  1  0.583664  0.083015  0.916767  1
  Si  Si68  1  0.583628  0.416548  0.250335  1
  Si  Si69  1  0.583511  0.416499  0.583431  1
  Si  Si70  1  0.583652  0.416469  0.916848  1
  Si  Si71  1  0.583622  0.749775  0.250271  1
  Si  Si72  1  0.583652  0.749757  0.583556  1
  Si  Si73  1  0.583515  0.749861  0.916800  1
  Si  Si74  1  0.913804  0.080216  0.253150  1
  Si  Si75  1  0.916884  0.083025  0.583605  1
  Si  Si76  1  0.916591  0.082651  0.916527  1
  Si  Si77  1  0.916558  0.416860  0.250720  1
  Si  Si78  1  0.916929  0.416483  0.583598  1
  Si  Si79  1  0.913747  0.419675  0.913710  1
  Si  Si80  1  0.916848  0.749745  0.250335  1
  Si  Si81  1  0.916900  0.749903  0.583471  1
  Si  Si82  1  0.916949  0.749775  0.916859  1
  Si  Si83  1  0.996560  0.162844  0.170491  1
  Si  Si84  1  0.000255  0.166438  0.500446  1
  Si  Si85  1  0.999749  0.165949  0.833524  1
  Si  Si86  1  0.999705  0.499853  0.167412  1
  Si  Si87  1  0.000165  0.499822  0.500283  1
  Si  Si88  1  0.000879  0.500886  0.832505  1
  Si  Si89  1  0.000238  0.832902  0.166922  1
  Si  Si90  1  0.000326  0.833136  0.500244  1
  Si  Si91  1  0.000208  0.833035  0.833487  1
  Si  Si92  1  0.333592  0.165990  0.167328  1
  Si  Si93  1  0.333657  0.166399  0.500181  1
  Si  Si94  1  0.334540  0.167129  0.832538  1
  Si  Si95  1  0.334536  0.500763  0.166123  1
  Si  Si96  1  0.333638  0.499903  0.500321  1
  Si  Si97  1  0.333967  0.500048  0.833264  1
  Si  Si98  1  0.333640  0.833139  0.166928  1
  Si  Si99  1  0.333620  0.833084  0.500170  1
  Si  Si100  1  0.333684  0.832996  0.833405  1
  Si  Si101  1  0.666745  0.166465  0.166946  1
  Si  Si102  1  0.666784  0.166542  0.500349  1
  Si  Si103  1  0.666954  0.166332  0.833472  1
  Si  Si104  1  0.666909  0.499864  0.167016  1
  Si  Si105  1  0.666854  0.499869  0.500245  1
  Si  Si106  1  0.666709  0.499882  0.833449  1
  Si  Si107  1  0.666783  0.832990  0.166764  1
  Si  Si108  1  0.666869  0.833133  0.500232  1
  Si  Si109  1  0.666860  0.833120  0.833502  1
  Si  Si110  1  0.083572  0.249810  0.251309  1
  Si  Si111  1  0.083647  0.249787  0.583567  1
  Si  Si112  1  0.083555  0.249869  0.915643  1
  Si  Si113  1  0.083634  0.583507  0.250109  1
  Si  Si114  1  0.083631  0.583080  0.583553  1
  Si  Si115  1  0.083571  0.583427  0.916963  1
  Si  Si116  1  0.083502  0.916198  0.250088  1
  Si  Si117  1  0.083631  0.916495  0.583537  1
  Si  Si118  1  0.083686  0.916138  0.916952  1
  Si  Si119  1  0.417179  0.249897  0.250071  1
  Si  Si120  1  0.416915  0.249783  0.583545  1
  Si  Si121  1  0.417247  0.249691  0.916935  1
  Si  Si122  1  0.417328  0.583591  0.250463  1
  Si  Si123  1  0.417026  0.583213  0.583543  1
  Si  Si124  1  0.417085  0.583166  0.916839  1
  Si  Si125  1  0.417031  0.916401  0.250170  1
  Si  Si126  1  0.417040  0.916351  0.583412  1
  Si  Si127  1  0.417285  0.916117  0.916554  1
  Si  Si128  1  0.749971  0.249782  0.250174  1
  Si  Si129  1  0.750322  0.249750  0.583568  1
  Si  Si130  1  0.750007  0.249843  0.916960  1
  Si  Si131  1  0.750204  0.583164  0.250343  1
  Si  Si132  1  0.750208  0.583222  0.583490  1
  Si  Si133  1  0.749695  0.583723  0.916522  1
  Si  Si134  1  0.749762  0.916063  0.250468  1
  Si  Si135  1  0.750187  0.916384  0.583584  1
  Si  Si136  1  0.750233  0.916289  0.916856  1
  Si  Si137  1  0.167408  0.999788  0.167351  1
  Si  Si138  1  0.167004  0.999732  0.500164  1
  Si  Si139  1  0.166239  0.998842  0.832552  1
  Si  Si140  1  0.170533  0.336819  0.170509  1
  Si  Si141  1  0.166960  0.333162  0.500411  1
  Si  Si142  1  0.167462  0.333643  0.833503  1
  Si  Si143  1  0.166963  0.666686  0.166890  1
  Si  Si144  1  0.166844  0.666612  0.500342  1
  Si  Si145  1  0.167088  0.666447  0.833461  1
  Si  Si146  1  0.500277  0.999769  0.166901  1
  Si  Si147  1  0.500290  0.999787  0.500213  1
  Si  Si148  1  0.500404  0.999727  0.833415  1
  Si  Si149  1  0.500466  0.333160  0.166905  1
  Si  Si150  1  0.500287  0.333044  0.500231  1
  Si  Si151  1  0.500342  0.333212  0.833507  1
  Si  Si152  1  0.500402  0.666602  0.166779  1
  Si  Si153  1  0.500281  0.666536  0.500214  1
  Si  Si154  1  0.500276  0.666510  0.833477  1
  Si  Si155  1  0.832610  0.998880  0.166170  1
  Si  Si156  1  0.833483  0.999760  0.500352  1
  Si  Si157  1  0.833348  0.999411  0.833279  1
  Si  Si158  1  0.833589  0.333675  0.167405  1
  Si  Si159  1  0.833566  0.333229  0.500311  1
  Si  Si160  1  0.832536  0.332553  0.832490  1
  Si  Si161  1  0.833511  0.666466  0.167039  1
  Si  Si162  1  0.833551  0.666557  0.500243  1
  Si  Si163  1  0.833512  0.666714  0.833474  1
  Si  Si164  1  0.083594  0.082036  0.083540  1
  Si  Si165  1  0.083511  0.083271  0.417135  1
  Si  Si166  1  0.083675  0.083209  0.749892  1
  Si  Si167  1  0.083527  0.417731  0.083503  1
  Si  Si168  1  0.083686  0.416382  0.417178  1
  Si  Si169  1  0.083558  0.416404  0.749938  1
  Si  Si170  1  0.083642  0.749805  0.083541  1
  Si  Si171  1  0.083587  0.749808  0.416873  1
  Si  Si172  1  0.083675  0.749759  0.750232  1
  Si  Si173  1  0.417207  0.083276  0.083425  1
  Si  Si174  1  0.417028  0.083116  0.416939  1
  Si  Si175  1  0.417355  0.082815  0.749692  1
  Si  Si176  1  0.417250  0.416351  0.083584  1
  Si  Si177  1  0.417240  0.416760  0.417203  1
  Si  Si178  1  0.417091  0.416469  0.750148  1
  Si  Si179  1  0.416904  0.749793  0.083549  1
  Si  Si180  1  0.417041  0.749861  0.416907  1
  Si  Si181  1  0.417027  0.749738  0.750080  1
  Si  Si182  1  0.749927  0.083240  0.083620  1
  Si  Si183  1  0.749791  0.082855  0.417281  1
  Si  Si184  1  0.750286  0.083052  0.750191  1
  Si  Si185  1  0.749987  0.416401  0.083509  1
  Si  Si186  1  0.750207  0.416511  0.417085  1
  Si  Si187  1  0.749694  0.416815  0.749622  1
  Si  Si188  1  0.750340  0.749777  0.083575  1
  Si  Si189  1  0.750189  0.749789  0.416972  1
  Si  Si190  1  0.750179  0.749858  0.750131  1
  Si  Si191  1  0.170579  0.162826  0.996532  1
  Si  Si192  1  0.167408  0.165977  0.333521  1
  Si  Si193  1  0.166987  0.166403  0.666663  1
  Si  Si194  1  0.167461  0.499837  0.999694  1
  Si  Si195  1  0.166202  0.500809  0.334442  1
  Si  Si196  1  0.167053  0.499858  0.666859  1
  Si  Si197  1  0.166987  0.832925  0.000146  1
  Si  Si198  1  0.166974  0.833134  0.333594  1
  Si  Si199  1  0.166879  0.832978  0.666697  1
  Si  Si200  1  0.500506  0.166429  0.000163  1
  Si  Si201  1  0.500255  0.166420  0.333571  1
  Si  Si202  1  0.500428  0.166536  0.666721  1
  Si  Si203  1  0.500344  0.499809  0.000096  1
  Si  Si204  1  0.500374  0.499911  0.333612  1
  Si  Si205  1  0.500267  0.499820  0.666784  1
  Si  Si206  1  0.500298  0.833084  0.000277  1
  Si  Si207  1  0.500280  0.833114  0.333494  1
  Si  Si208  1  0.500299  0.833105  0.666795  1
  Si  Si209  1  0.833583  0.165946  0.999700  1
  Si  Si210  1  0.832627  0.167200  0.334511  1
  Si  Si211  1  0.833569  0.166361  0.666889  1
  Si  Si212  1  0.832530  0.500888  0.000823  1
  Si  Si213  1  0.833286  0.500090  0.333947  1
  Si  Si214  1  0.833520  0.499895  0.666664  1
  Si  Si215  1  0.833598  0.833066  0.000132  1
  Si  Si216  1  0.833470  0.833034  0.333584  1
  Si  Si217  1  0.833550  0.833111  0.666823  1