# 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  0.083506  0.249865  0.083470  1
  Si  Si2  1  0.251474  0.249794  0.083566  1
  Si  Si3  1  0.250152  0.249924  0.417222  1
  Si  Si4  1  0.250218  0.249730  0.749884  1
  Si  Si5  1  0.250206  0.583451  0.083618  1
  Si  Si6  1  0.250598  0.583649  0.417373  1
  Si  Si7  1  0.250281  0.583334  0.750036  1
  Si  Si8  1  0.250136  0.916117  0.083402  1
  Si  Si9  1  0.250168  0.916404  0.416975  1
  Si  Si10  1  0.250608  0.915976  0.749737  1
  Si  Si11  1  0.583616  0.249767  0.083536  1
  Si  Si12  1  0.583650  0.249809  0.416881  1
  Si  Si13  1  0.583569  0.249828  0.750262  1
  Si  Si14  1  0.583549  0.583054  0.083501  1
  Si  Si15  1  0.583572  0.583315  0.417001  1
  Si  Si16  1  0.583608  0.583204  0.750120  1
  Si  Si17  1  0.583642  0.916425  0.083533  1
  Si  Si18  1  0.583414  0.916428  0.416933  1
  Si  Si19  1  0.583591  0.916355  0.750016  1
  Si  Si20  1  0.915627  0.249784  0.083544  1
  Si  Si21  1  0.916947  0.249794  0.417240  1
  Si  Si22  1  0.917031  0.249819  0.749919  1
  Si  Si23  1  0.917011  0.583434  0.083512  1
  Si  Si24  1  0.916742  0.583254  0.417024  1
  Si  Si25  1  0.916609  0.583679  0.749691  1
  Si  Si26  1  0.916926  0.916085  0.083585  1
  Si  Si27  1  0.916596  0.916023  0.417329  1
  Si  Si28  1  0.916729  0.916327  0.750081  1
  Si  Si29  1  0.999687  0.999650  0.999676  1
  Si  Si30  1  0.000867  0.998846  0.334518  1
  Si  Si31  1  0.000056  0.999718  0.666874  1
  Si  Si32  1  0.996405  0.336909  0.996398  1
  Si  Si33  1  0.999708  0.333682  0.333665  1
  Si  Si34  1  0.000250  0.333137  0.666718  1
  Si  Si35  1  0.000251  0.666646  0.000224  1
  Si  Si36  1  0.000056  0.666462  0.333635  1
  Si  Si37  1  0.000308  0.666692  0.666645  1
  Si  Si38  1  0.334535  0.998829  0.000818  1
  Si  Si39  1  0.333933  0.999437  0.333915  1
  Si  Si40  1  0.333654  0.999728  0.666642  1
  Si  Si41  1  0.333692  0.333659  0.999665  1
  Si  Si42  1  0.334533  0.332502  0.334490  1
  Si  Si43  1  0.333686  0.333317  0.666881  1
  Si  Si44  1  0.333673  0.666464  0.000039  1
  Si  Si45  1  0.333664  0.666723  0.333631  1
  Si  Si46  1  0.333595  0.666569  0.666769  1
  Si  Si47  1  0.666895  0.999680  0.000036  1
  Si  Si48  1  0.666658  0.999705  0.333619  1
  Si  Si49  1  0.666827  0.999784  0.666779  1
  Si  Si50  1  0.666768  0.333120  0.000202  1
  Si  Si51  1  0.666908  0.333307  0.333647  1
  Si  Si52  1  0.666680  0.333062  0.666641  1
  Si  Si53  1  0.666667  0.666673  0.000264  1
  Si  Si54  1  0.666797  0.666537  0.333563  1
  Si  Si55  1  0.666881  0.666535  0.666845  1
  Si  Si56  1  0.250732  0.082620  0.250699  1
  Si  Si57  1  0.250333  0.083099  0.583511  1
  Si  Si58  1  0.253365  0.080002  0.913648  1
  Si  Si59  1  0.253351  0.419681  0.253337  1
  Si  Si60  1  0.250381  0.416604  0.583607  1
  Si  Si61  1  0.250787  0.416941  0.916399  1
  Si  Si62  1  0.250340  0.749878  0.250287  1
  Si  Si63  1  0.250304  0.749841  0.583531  1
  Si  Si64  1  0.250361  0.749738  0.916760  1
  Si  Si65  1  0.583545  0.083056  0.250268  1
  Si  Si66  1  0.583589  0.083079  0.583513  1
  Si  Si67  1  0.583646  0.083015  0.916750  1
  Si  Si68  1  0.583605  0.416552  0.250336  1
  Si  Si69  1  0.583554  0.416606  0.583496  1
  Si  Si70  1  0.583680  0.416498  0.916795  1
  Si  Si71  1  0.583529  0.749771  0.250273  1
  Si  Si72  1  0.583585  0.749851  0.583549  1
  Si  Si73  1  0.583541  0.749826  0.916728  1
  Si  Si74  1  0.913694  0.079997  0.253333  1
  Si  Si75  1  0.916814  0.083033  0.583575  1
  Si  Si76  1  0.916430  0.082580  0.916415  1
  Si  Si77  1  0.916434  0.416943  0.250747  1
  Si  Si78  1  0.916866  0.416521  0.583618  1
  Si  Si79  1  0.913720  0.419661  0.913682  1
  Si  Si80  1  0.916747  0.749729  0.250342  1
  Si  Si81  1  0.916800  0.749856  0.583507  1
  Si  Si82  1  0.916868  0.749743  0.916842  1
  Si  Si83  1  0.996478  0.162676  0.170611  1
  Si  Si84  1  0.000166  0.166501  0.500453  1
  Si  Si85  1  0.999696  0.165847  0.833485  1
  Si  Si86  1  0.999690  0.499876  0.167473  1
  Si  Si87  1  0.000030  0.499883  0.500254  1
  Si  Si88  1  0.000906  0.500853  0.832496  1
  Si  Si89  1  0.000126  0.832864  0.166898  1
  Si  Si90  1  0.000325  0.833025  0.500343  1
  Si  Si91  1  0.000008  0.833090  0.833443  1
  Si  Si92  1  0.333691  0.165891  0.167427  1
  Si  Si93  1  0.333658  0.166448  0.500272  1
  Si  Si94  1  0.334633  0.167123  0.832487  1
  Si  Si95  1  0.334615  0.500812  0.166195  1
  Si  Si96  1  0.333718  0.499943  0.500408  1
  Si  Si97  1  0.333887  0.500244  0.833123  1
  Si  Si98  1  0.333640  0.833101  0.166912  1
  Si  Si99  1  0.333511  0.833188  0.500191  1
  Si  Si100  1  0.333723  0.832914  0.833419  1
  Si  Si101  1  0.666719  0.166435  0.166902  1
  Si  Si102  1  0.666810  0.166543  0.500358  1
  Si  Si103  1  0.666876  0.166381  0.833446  1
  Si  Si104  1  0.666829  0.499846  0.166957  1
  Si  Si105  1  0.666829  0.499964  0.500260  1
  Si  Si106  1  0.666764  0.499871  0.833424  1
  Si  Si107  1  0.666761  0.832918  0.166808  1
  Si  Si108  1  0.666754  0.833177  0.500187  1
  Si  Si109  1  0.666818  0.833080  0.833385  1
  Si  Si110  1  0.083563  0.249773  0.251443  1
  Si  Si111  1  0.083610  0.249817  0.583570  1
  Si  Si112  1  0.083573  0.249798  0.915620  1
  Si  Si113  1  0.083661  0.583472  0.250168  1
  Si  Si114  1  0.083558  0.583071  0.583541  1
  Si  Si115  1  0.083544  0.583439  0.916979  1
  Si  Si116  1  0.083428  0.916106  0.250117  1
  Si  Si117  1  0.083564  0.916494  0.583612  1
  Si  Si118  1  0.083595  0.916084  0.916913  1
  Si  Si119  1  0.417251  0.249914  0.250097  1
  Si  Si120  1  0.416947  0.249828  0.583619  1
  Si  Si121  1  0.417271  0.249764  0.916900  1
  Si  Si122  1  0.417363  0.583594  0.250563  1
  Si  Si123  1  0.417040  0.583340  0.583549  1
  Si  Si124  1  0.417075  0.583261  0.916725  1
  Si  Si125  1  0.417008  0.916401  0.250165  1
  Si  Si126  1  0.416964  0.916451  0.583390  1
  Si  Si127  1  0.417369  0.916005  0.916569  1
  Si  Si128  1  0.749917  0.249712  0.250193  1
  Si  Si129  1  0.750310  0.249850  0.583509  1
  Si  Si130  1  0.749970  0.249810  0.916978  1
  Si  Si131  1  0.750024  0.583291  0.250217  1
  Si  Si132  1  0.750179  0.583233  0.583562  1
  Si  Si133  1  0.749704  0.583636  0.916585  1
  Si  Si134  1  0.749724  0.915944  0.250568  1
  Si  Si135  1  0.750070  0.916344  0.583569  1
  Si  Si136  1  0.750096  0.916319  0.916681  1
  Si  Si137  1  0.167451  0.999661  0.167431  1
  Si  Si138  1  0.166950  0.999791  0.500281  1
  Si  Si139  1  0.166236  0.998731  0.832509  1
  Si  Si140  1  0.170647  0.336896  0.170647  1
  Si  Si141  1  0.166943  0.333242  0.500452  1
  Si  Si142  1  0.167515  0.333681  0.833478  1
  Si  Si143  1  0.166969  0.666678  0.166920  1
  Si  Si144  1  0.166828  0.666606  0.500390  1
  Si  Si145  1  0.166989  0.666527  0.833451  1
  Si  Si146  1  0.500311  0.999741  0.166901  1
  Si  Si147  1  0.500221  0.999885  0.500183  1
  Si  Si148  1  0.500449  0.999664  0.833421  1
  Si  Si149  1  0.500488  0.333193  0.166862  1
  Si  Si150  1  0.500387  0.333065  0.500334  1
  Si  Si151  1  0.500290  0.333348  0.833449  1
  Si  Si152  1  0.500377  0.666555  0.166794  1
  Si  Si153  1  0.500244  0.666654  0.500206  1
  Si  Si154  1  0.500290  0.666533  0.833387  1
  Si  Si155  1  0.832518  0.998719  0.166236  1
  Si  Si156  1  0.833457  0.999665  0.500419  1
  Si  Si157  1  0.833134  0.999524  0.833104  1
  Si  Si158  1  0.833502  0.333670  0.167496  1
  Si  Si159  1  0.833485  0.333386  0.500240  1
  Si  Si160  1  0.832543  0.332464  0.832487  1
  Si  Si161  1  0.833458  0.666504  0.166950  1
  Si  Si162  1  0.833449  0.666561  0.500252  1
  Si  Si163  1  0.833496  0.666622  0.833500  1
  Si  Si164  1  0.083582  0.081872  0.083534  1
  Si  Si165  1  0.083447  0.083260  0.417225  1
  Si  Si166  1  0.083663  0.083161  0.749888  1
  Si  Si167  1  0.083550  0.417718  0.083526  1
  Si  Si168  1  0.083627  0.416440  0.417234  1
  Si  Si169  1  0.083553  0.416361  0.749928  1
  Si  Si170  1  0.083600  0.749771  0.083585  1
  Si  Si171  1  0.083543  0.749729  0.416891  1
  Si  Si172  1  0.083540  0.749822  0.750252  1
  Si  Si173  1  0.417255  0.083220  0.083401  1
  Si  Si174  1  0.417000  0.083199  0.416949  1
  Si  Si175  1  0.417412  0.082777  0.749714  1
  Si  Si176  1  0.417277  0.416409  0.083561  1
  Si  Si177  1  0.417345  0.416761  0.417324  1
  Si  Si178  1  0.417071  0.416646  0.750087  1
  Si  Si179  1  0.416911  0.749733  0.083534  1
  Si  Si180  1  0.416961  0.749965  0.416945  1
  Si  Si181  1  0.417036  0.749780  0.750009  1
  Si  Si182  1  0.749910  0.083131  0.083635  1
  Si  Si183  1  0.749768  0.082757  0.417350  1
  Si  Si184  1  0.750091  0.083137  0.749990  1
  Si  Si185  1  0.749958  0.416345  0.083527  1
  Si  Si186  1  0.750103  0.416660  0.417021  1
  Si  Si187  1  0.749735  0.416752  0.749652  1
  Si  Si188  1  0.750281  0.749805  0.083486  1
  Si  Si189  1  0.750032  0.749773  0.417002  1
  Si  Si190  1  0.750195  0.749777  0.750168  1
  Si  Si191  1  0.170683  0.162686  0.996453  1
  Si  Si192  1  0.167473  0.165908  0.333653  1
  Si  Si193  1  0.166936  0.166456  0.666683  1
  Si  Si194  1  0.167501  0.499865  0.999651  1
  Si  Si195  1  0.166250  0.500868  0.334596  1
  Si  Si196  1  0.167008  0.499883  0.666852  1
  Si  Si197  1  0.166906  0.832875  0.000123  1
  Si  Si198  1  0.166937  0.833073  0.333608  1
  Si  Si199  1  0.166828  0.832992  0.666751  1
  Si  Si200  1  0.500486  0.166454  0.000106  1
  Si  Si201  1  0.500309  0.166425  0.333581  1
  Si  Si202  1  0.500431  0.166534  0.666745  1
  Si  Si203  1  0.500301  0.499852  0.999968  1
  Si  Si204  1  0.500424  0.499911  0.333680  1
  Si  Si205  1  0.500292  0.499949  0.666782  1
  Si  Si206  1  0.500376  0.832983  0.000281  1
  Si  Si207  1  0.500219  0.833149  0.333483  1
  Si  Si208  1  0.500212  0.833178  0.666714  1
  Si  Si209  1  0.833491  0.165833  0.999672  1
  Si  Si210  1  0.832548  0.167128  0.334600  1
  Si  Si211  1  0.833517  0.166405  0.666795  1
  Si  Si212  1  0.832531  0.500837  0.000883  1
  Si  Si213  1  0.833137  0.500235  0.333823  1
  Si  Si214  1  0.833498  0.499905  0.666706  1
  Si  Si215  1  0.833467  0.833101  0.999972  1
  Si  Si216  1  0.833426  0.832929  0.333698  1
  Si  Si217  1  0.833436  0.833078  0.666809  1
