# 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  0.083381  0.249999  0.083340  1
  Si  Si2  1  0.251124  0.250023  0.083325  1
  Si  Si3  1  0.249874  0.250183  0.416986  1
  Si  Si4  1  0.249765  0.250017  0.749786  1
  Si  Si5  1  0.249800  0.583756  0.083455  1
  Si  Si6  1  0.250266  0.583583  0.416902  1
  Si  Si7  1  0.250031  0.583603  0.749922  1
  Si  Si8  1  0.249857  0.916285  0.083331  1
  Si  Si9  1  0.249905  0.916473  0.416844  1
  Si  Si10  1  0.250284  0.916450  0.749816  1
  Si  Si11  1  0.583385  0.249843  0.083291  1
  Si  Si12  1  0.583240  0.250034  0.416408  1
  Si  Si13  1  0.583212  0.250055  0.750118  1
  Si  Si14  1  0.583442  0.583136  0.083300  1
  Si  Si15  1  0.583417  0.583442  0.416555  1
  Si  Si16  1  0.583235  0.583353  0.749969  1
  Si  Si17  1  0.583344  0.916895  0.083285  1
  Si  Si18  1  0.583287  0.916618  0.416839  1
  Si  Si19  1  0.583345  0.916701  0.749796  1
  Si  Si20  1  0.915636  0.249955  0.083412  1
  Si  Si21  1  0.916961  0.249996  0.416970  1
  Si  Si22  1  0.916917  0.250043  0.749614  1
  Si  Si23  1  0.916796  0.583679  0.083165  1
  Si  Si24  1  0.916652  0.583497  0.416926  1
  Si  Si25  1  0.916253  0.583489  0.749858  1
  Si  Si26  1  0.916799  0.916357  0.083424  1
  Si  Si27  1  0.916342  0.916531  0.416877  1
  Si  Si28  1  0.916645  0.916708  0.749911  1
  Si  Si29  1  0.999225  0.000317  0.999309  1
  Si  Si30  1  0.001102  0.999484  0.333966  1
  Si  Si31  1  0.999862  0.000046  0.666690  1
  Si  Si32  1  0.997984  0.335411  0.998030  1
  Si  Si33  1  0.999391  0.334123  0.333047  1
  Si  Si34  1  0.000065  0.333327  0.666495  1
  Si  Si35  1  0.000021  0.666941  0.000107  1
  Si  Si36  1  0.999741  0.666694  0.333394  1
  Si  Si37  1  0.000130  0.666635  0.666720  1
  Si  Si38  1  0.333919  0.999412  0.001131  1
  Si  Si39  1  0.333936  0.999286  0.334123  1
  Si  Si40  1  0.333209  0.000046  0.666587  1
  Si  Si41  1  0.332981  0.334121  0.999263  1
  Si  Si42  1  0.333956  0.332391  0.333879  1
  Si  Si43  1  0.333406  0.333591  0.666802  1
  Si  Si44  1  0.333328  0.666812  0.999857  1
  Si  Si45  1  0.333298  0.666711  0.333329  1
  Si  Si46  1  0.333329  0.666822  0.666675  1
  Si  Si47  1  0.666614  0.000050  0.999753  1
  Si  Si48  1  0.666546  0.999987  0.333339  1
  Si  Si49  1  0.666581  0.000138  0.666516  1
  Si  Si50  1  0.666559  0.333156  0.000094  1
  Si  Si51  1  0.666637  0.333481  0.333271  1
  Si  Si52  1  0.666607  0.333054  0.666526  1
  Si  Si53  1  0.666704  0.666599  0.000106  1
  Si  Si54  1  0.666645  0.666791  0.333160  1
  Si  Si55  1  0.666714  0.666619  0.666754  1
  Si  Si56  1  0.250832  0.082452  0.250901  1
  Si  Si57  1  0.249970  0.083415  0.583384  1
  Si  Si58  1  0.252003  0.081277  0.914722  1
  Si  Si59  1  0.252032  0.418740  0.251962  1
  Si  Si60  1  0.250098  0.416795  0.583499  1
  Si  Si61  1  0.250811  0.417660  0.915850  1
  Si  Si62  1  0.250078  0.750071  0.250125  1
  Si  Si63  1  0.249949  0.749956  0.583445  1
  Si  Si64  1  0.249963  0.750027  0.916555  1
  Si  Si65  1  0.583255  0.083256  0.250124  1
  Si  Si66  1  0.583239  0.083267  0.583202  1
  Si  Si67  1  0.583186  0.083300  0.916566  1
  Si  Si68  1  0.583371  0.416689  0.249876  1
  Si  Si69  1  0.583239  0.416818  0.583232  1
  Si  Si70  1  0.583309  0.416582  0.916664  1
  Si  Si71  1  0.583266  0.750089  0.250056  1
  Si  Si72  1  0.583451  0.750012  0.583352  1
  Si  Si73  1  0.583426  0.750060  0.916480  1
  Si  Si74  1  0.914721  0.081351  0.252039  1
  Si  Si75  1  0.916708  0.083417  0.583378  1
  Si  Si76  1  0.915812  0.082533  0.915811  1
  Si  Si77  1  0.915860  0.417584  0.250908  1
  Si  Si78  1  0.916543  0.416693  0.583256  1
  Si  Si79  1  0.914628  0.418530  0.914690  1
  Si  Si80  1  0.916533  0.749962  0.250028  1
  Si  Si81  1  0.916496  0.750019  0.583345  1
  Si  Si82  1  0.916487  0.750101  0.916669  1
  Si  Si83  1  0.998062  0.164575  0.168794  1
  Si  Si84  1  0.000169  0.166860  0.500199  1
  Si  Si85  1  0.999312  0.165969  0.833637  1
  Si  Si86  1  0.999227  0.499802  0.167365  1
  Si  Si87  1  0.999860  0.500024  0.500071  1
  Si  Si88  1  0.000983  0.500571  0.832861  1
  Si  Si89  1  0.999992  0.833217  0.166620  1
  Si  Si90  1  0.000185  0.833369  0.500022  1
  Si  Si91  1  0.999728  0.833375  0.833376  1
  Si  Si92  1  0.332988  0.165968  0.167448  1
  Si  Si93  1  0.333309  0.166569  0.500094  1
  Si  Si94  1  0.333863  0.167679  0.832796  1
  Si  Si95  1  0.333965  0.500609  0.165577  1
  Si  Si96  1  0.333263  0.500051  0.500132  1
  Si  Si97  1  0.334021  0.500865  0.832756  1
  Si  Si98  1  0.333472  0.833337  0.166946  1
  Si  Si99  1  0.333141  0.833179  0.500082  1
  Si  Si100  1  0.333313  0.833290  0.833374  1
  Si  Si101  1  0.666527  0.166668  0.166650  1
  Si  Si102  1  0.666610  0.166869  0.499815  1
  Si  Si103  1  0.666522  0.166517  0.833294  1
  Si  Si104  1  0.666774  0.499997  0.166809  1
  Si  Si105  1  0.666569  0.499989  0.499966  1
  Si  Si106  1  0.666547  0.499804  0.833280  1
  Si  Si107  1  0.666645  0.833355  0.166372  1
  Si  Si108  1  0.666800  0.833422  0.500026  1
  Si  Si109  1  0.666624  0.833343  0.833216  1
  Si  Si110  1  0.083433  0.250031  0.251144  1
  Si  Si111  1  0.083432  0.250195  0.583332  1
  Si  Si112  1  0.083352  0.250039  0.915571  1
  Si  Si113  1  0.083354  0.583766  0.249764  1
  Si  Si114  1  0.083309  0.583157  0.583444  1
  Si  Si115  1  0.083175  0.583729  0.916940  1
  Si  Si116  1  0.083201  0.916380  0.249776  1
  Si  Si117  1  0.083303  0.916849  0.583385  1
  Si  Si118  1  0.083357  0.916375  0.916920  1
  Si  Si119  1  0.416987  0.250117  0.249773  1
  Si  Si120  1  0.416449  0.250109  0.583358  1
  Si  Si121  1  0.416906  0.249917  0.916937  1
  Si  Si122  1  0.416904  0.583567  0.250296  1
  Si  Si123  1  0.416680  0.583493  0.583392  1
  Si  Si124  1  0.416841  0.583620  0.916738  1
  Si  Si125  1  0.416842  0.916547  0.250197  1
  Si  Si126  1  0.416526  0.916582  0.583253  1
  Si  Si127  1  0.416877  0.916504  0.916346  1
  Si  Si128  1  0.749737  0.249922  0.249738  1
  Si  Si129  1  0.750097  0.249970  0.583136  1
  Si  Si130  1  0.749664  0.250009  0.916852  1
  Si  Si131  1  0.749922  0.583496  0.249992  1
  Si  Si132  1  0.749869  0.583341  0.583285  1
  Si  Si133  1  0.749762  0.583402  0.916233  1
  Si  Si134  1  0.749737  0.916461  0.250312  1
  Si  Si135  1  0.750061  0.916789  0.583364  1
  Si  Si136  1  0.749778  0.916635  0.916526  1
  Si  Si137  1  0.167405  0.000262  0.167382  1
  Si  Si138  1  0.166842  0.999988  0.500079  1
  Si  Si139  1  0.165615  0.999413  0.832807  1
  Si  Si140  1  0.168753  0.335445  0.168709  1
  Si  Si141  1  0.166722  0.333391  0.500163  1
  Si  Si142  1  0.167355  0.334169  0.833691  1
  Si  Si143  1  0.166590  0.666932  0.166623  1
  Si  Si144  1  0.166324  0.666661  0.500027  1
  Si  Si145  1  0.166717  0.666713  0.833308  1
  Si  Si146  1  0.500017  0.999920  0.166899  1
  Si  Si147  1  0.499927  0.000001  0.500051  1
  Si  Si148  1  0.500015  0.000035  0.833266  1
  Si  Si149  1  0.500189  0.333185  0.166478  1
  Si  Si150  1  0.499911  0.333142  0.499906  1
  Si  Si151  1  0.499935  0.333498  0.833356  1
  Si  Si152  1  0.500023  0.666647  0.166369  1
  Si  Si153  1  0.500047  0.666624  0.499981  1
  Si  Si154  1  0.500086  0.666764  0.833375  1
  Si  Si155  1  0.832755  0.999448  0.165664  1
  Si  Si156  1  0.833437  0.000177  0.500057  1
  Si  Si157  1  0.832572  0.999475  0.832605  1
  Si  Si158  1  0.833732  0.334057  0.167422  1
  Si  Si159  1  0.833247  0.333533  0.499897  1
  Si  Si160  1  0.832745  0.332184  0.832694  1
  Si  Si161  1  0.833262  0.666691  0.166774  1
  Si  Si162  1  0.833276  0.666749  0.500066  1
  Si  Si163  1  0.833324  0.666749  0.833383  1
  Si  Si164  1  0.083384  0.082211  0.083297  1
  Si  Si165  1  0.083316  0.083606  0.417044  1
  Si  Si166  1  0.083471  0.083592  0.749717  1
  Si  Si167  1  0.083338  0.417887  0.083372  1
  Si  Si168  1  0.083501  0.416556  0.417010  1
  Si  Si169  1  0.083196  0.416521  0.749728  1
  Si  Si170  1  0.083324  0.750146  0.083365  1
  Si  Si171  1  0.083222  0.750022  0.416516  1
  Si  Si172  1  0.083164  0.750039  0.750221  1
  Si  Si173  1  0.416962  0.083528  0.083386  1
  Si  Si174  1  0.416675  0.083344  0.416899  1
  Si  Si175  1  0.416799  0.083026  0.749746  1
  Si  Si176  1  0.417019  0.416459  0.083353  1
  Si  Si177  1  0.416852  0.417146  0.416847  1
  Si  Si178  1  0.416809  0.416853  0.750002  1
  Si  Si179  1  0.416543  0.750082  0.083324  1
  Si  Si180  1  0.416681  0.749974  0.416814  1
  Si  Si181  1  0.416814  0.750071  0.749971  1
  Si  Si182  1  0.749700  0.083564  0.083389  1
  Si  Si183  1  0.749822  0.083012  0.416764  1
  Si  Si184  1  0.749764  0.083440  0.749806  1
  Si  Si185  1  0.749740  0.416359  0.083254  1
  Si  Si186  1  0.749779  0.416714  0.416716  1
  Si  Si187  1  0.749761  0.416848  0.749696  1
  Si  Si188  1  0.750100  0.749978  0.083237  1
  Si  Si189  1  0.749935  0.750054  0.416620  1
  Si  Si190  1  0.750050  0.750099  0.749876  1
  Si  Si191  1  0.168750  0.164617  0.997915  1
  Si  Si192  1  0.167460  0.165995  0.333086  1
  Si  Si193  1  0.166578  0.166875  0.666568  1
  Si  Si194  1  0.167371  0.499835  0.999330  1
  Si  Si195  1  0.165619  0.500664  0.333835  1
  Si  Si196  1  0.166862  0.500084  0.666768  1
  Si  Si197  1  0.166611  0.833234  0.000064  1
  Si  Si198  1  0.166740  0.833316  0.333362  1
  Si  Si199  1  0.166342  0.833322  0.666744  1
  Si  Si200  1  0.500059  0.166682  0.000102  1
  Si  Si201  1  0.499892  0.166465  0.333382  1
  Si  Si202  1  0.499923  0.166915  0.666621  1
  Si  Si203  1  0.500052  0.500041  0.999795  1
  Si  Si204  1  0.500131  0.499966  0.333198  1
  Si  Si205  1  0.500004  0.500007  0.666588  1
  Si  Si206  1  0.500044  0.833371  0.000177  1
  Si  Si207  1  0.500055  0.833253  0.333423  1
  Si  Si208  1  0.499970  0.833404  0.666585  1
  Si  Si209  1  0.833681  0.165986  0.999300  1
  Si  Si210  1  0.832830  0.167767  0.333893  1
  Si  Si211  1  0.833263  0.166559  0.666569  1
  Si  Si212  1  0.832731  0.500489  0.000995  1
  Si  Si213  1  0.832696  0.500727  0.334084  1
  Si  Si214  1  0.833324  0.499914  0.666583  1
  Si  Si215  1  0.833167  0.833425  0.999804  1
  Si  Si216  1  0.833380  0.833325  0.333273  1
  Si  Si217  1  0.833445  0.833411  0.666607  1
