# 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  0.166349  0.166995  0.166330  1
  Si  Si2  1  0.253669  0.253920  0.079407  1
  Si  Si3  1  0.250394  0.250676  0.416525  1
  Si  Si4  1  0.249841  0.250262  0.749541  1
  Si  Si5  1  0.249858  0.583766  0.083091  1
  Si  Si6  1  0.249934  0.583668  0.416535  1
  Si  Si7  1  0.249753  0.583662  0.749704  1
  Si  Si8  1  0.250395  0.916766  0.082683  1
  Si  Si9  1  0.249220  0.915845  0.417479  1
  Si  Si10  1  0.249924  0.916850  0.749677  1
  Si  Si11  1  0.583347  0.250223  0.083043  1
  Si  Si12  1  0.583155  0.250381  0.416552  1
  Si  Si13  1  0.583394  0.250110  0.749596  1
  Si  Si14  1  0.583354  0.583724  0.083180  1
  Si  Si15  1  0.583218  0.583573  0.416516  1
  Si  Si16  1  0.583166  0.583610  0.749757  1
  Si  Si17  1  0.583185  0.916742  0.082927  1
  Si  Si18  1  0.583362  0.916786  0.416520  1
  Si  Si19  1  0.583222  0.916838  0.749699  1
  Si  Si20  1  0.916492  0.250680  0.082666  1
  Si  Si21  1  0.915489  0.249470  0.417519  1
  Si  Si22  1  0.916435  0.250332  0.749786  1
  Si  Si23  1  0.916385  0.583533  0.083011  1
  Si  Si24  1  0.916438  0.583713  0.416564  1
  Si  Si25  1  0.916435  0.583573  0.749827  1
  Si  Si26  1  0.915503  0.915770  0.083875  1
  Si  Si27  1  0.916040  0.916513  0.416806  1
  Si  Si28  1  0.916442  0.916754  0.749641  1
  Si  Si29  1  0.996709  0.996955  0.996716  1
  Si  Si30  1  0.999398  0.999672  0.333631  1
  Si  Si31  1  0.999707  0.000101  0.666420  1
  Si  Si32  1  0.999418  0.333931  0.999397  1
  Si  Si33  1  0.996716  0.336644  0.336348  1
  Si  Si34  1  0.999722  0.333643  0.666485  1
  Si  Si35  1  0.999680  0.666820  0.999723  1
  Si  Si36  1  0.999748  0.666908  0.333240  1
  Si  Si37  1  0.999667  0.666859  0.666502  1
  Si  Si38  1  0.333625  0.999682  0.999360  1
  Si  Si39  1  0.336217  0.997133  0.336206  1
  Si  Si40  1  0.333229  0.000188  0.666444  1
  Si  Si41  1  0.336341  0.336634  0.996676  1
  Si  Si42  1  0.333667  0.333940  0.333611  1
  Si  Si43  1  0.333291  0.333627  0.666434  1
  Si  Si44  1  0.333241  0.666916  0.999693  1
  Si  Si45  1  0.333226  0.666888  0.333193  1
  Si  Si46  1  0.333217  0.666848  0.666503  1
  Si  Si47  1  0.666470  0.000075  0.999670  1
  Si  Si48  1  0.666468  0.000131  0.333164  1
  Si  Si49  1  0.666506  0.000139  0.666460  1
  Si  Si50  1  0.666497  0.333606  0.999669  1
  Si  Si51  1  0.666432  0.333618  0.333188  1
  Si  Si52  1  0.666506  0.333679  0.666480  1
  Si  Si53  1  0.666500  0.666847  0.999642  1
  Si  Si54  1  0.666503  0.666818  0.333215  1
  Si  Si55  1  0.666422  0.666919  0.666410  1
  Si  Si56  1  0.253488  0.079846  0.253466  1
  Si  Si57  1  0.249828  0.083573  0.583283  1
  Si  Si58  1  0.250397  0.082957  0.916372  1
  Si  Si59  1  0.250411  0.416950  0.250384  1
  Si  Si60  1  0.249973  0.417002  0.583205  1
  Si  Si61  1  0.249150  0.417834  0.915507  1
  Si  Si62  1  0.249817  0.749991  0.249756  1
  Si  Si63  1  0.249692  0.750040  0.583331  1
  Si  Si64  1  0.249944  0.750175  0.916310  1
  Si  Si65  1  0.583321  0.083514  0.249747  1
  Si  Si66  1  0.583326  0.083648  0.583270  1
  Si  Si67  1  0.583197  0.083369  0.916301  1
  Si  Si68  1  0.583160  0.416997  0.249894  1
  Si  Si69  1  0.583211  0.416986  0.583178  1
  Si  Si70  1  0.583350  0.416991  0.916311  1
  Si  Si71  1  0.583334  0.749995  0.249681  1
  Si  Si72  1  0.583109  0.750237  0.583097  1
  Si  Si73  1  0.583231  0.750179  0.916330  1
  Si  Si74  1  0.916416  0.082923  0.250378  1
  Si  Si75  1  0.916335  0.083404  0.583154  1
  Si  Si76  1  0.915560  0.084174  0.915529  1
  Si  Si77  1  0.915543  0.417822  0.249145  1
  Si  Si78  1  0.916349  0.417007  0.583316  1
  Si  Si79  1  0.916163  0.417173  0.916169  1
  Si  Si80  1  0.916352  0.750151  0.249948  1
  Si  Si81  1  0.916379  0.750167  0.583181  1
  Si  Si82  1  0.916335  0.749986  0.916357  1
  Si  Si83  1  0.998640  0.166786  0.166541  1
  Si  Si84  1  0.999938  0.166854  0.500143  1
  Si  Si85  1  0.999943  0.166786  0.832861  1
  Si  Si86  1  0.999922  0.500469  0.166511  1
  Si  Si87  1  0.999557  0.500679  0.500318  1
  Si  Si88  1  0.999760  0.500281  0.833096  1
  Si  Si89  1  0.999949  0.833153  0.166491  1
  Si  Si90  1  0.999676  0.833433  0.499907  1
  Si  Si91  1  0.999540  0.833001  0.832694  1
  Si  Si92  1  0.334367  0.166823  0.166463  1
  Si  Si93  1  0.333157  0.166795  0.500106  1
  Si  Si94  1  0.333074  0.166940  0.832775  1
  Si  Si95  1  0.333092  0.500530  0.166401  1
  Si  Si96  1  0.333192  0.500362  0.499910  1
  Si  Si97  1  0.333497  0.500617  0.832714  1
  Si  Si98  1  0.333165  0.833186  0.166559  1
  Si  Si99  1  0.333492  0.833026  0.500325  1
  Si  Si100  1  0.333192  0.833452  0.832945  1
  Si  Si101  1  0.666469  0.166854  0.166424  1
  Si  Si102  1  0.666468  0.166890  0.499769  1
  Si  Si103  1  0.666543  0.166846  0.833155  1
  Si  Si104  1  0.666514  0.500176  0.166447  1
  Si  Si105  1  0.666508  0.500269  0.499878  1
  Si  Si106  1  0.666548  0.500303  0.833005  1
  Si  Si107  1  0.666470  0.833511  0.166435  1
  Si  Si108  1  0.666540  0.833448  0.499883  1
  Si  Si109  1  0.666501  0.833471  0.833011  1
  Si  Si110  1  0.079418  0.253923  0.253662  1
  Si  Si111  1  0.083108  0.250277  0.583327  1
  Si  Si112  1  0.082689  0.250674  0.916474  1
  Si  Si113  1  0.083094  0.583754  0.249820  1
  Si  Si114  1  0.083232  0.583728  0.583372  1
  Si  Si115  1  0.083004  0.583554  0.916450  1
  Si  Si116  1  0.082690  0.916773  0.250366  1
  Si  Si117  1  0.082972  0.916780  0.583130  1
  Si  Si118  1  0.083891  0.915798  0.915506  1
  Si  Si119  1  0.416559  0.250629  0.250358  1
  Si  Si120  1  0.416606  0.250382  0.583129  1
  Si  Si121  1  0.417531  0.249465  0.915470  1
  Si  Si122  1  0.416552  0.583626  0.249909  1
  Si  Si123  1  0.416513  0.583589  0.583214  1
  Si  Si124  1  0.416584  0.583700  0.916421  1
  Si  Si125  1  0.417510  0.915850  0.249200  1
  Si  Si126  1  0.416566  0.916821  0.583333  1
  Si  Si127  1  0.416831  0.916538  0.916015  1
  Si  Si128  1  0.749566  0.250205  0.249813  1
  Si  Si129  1  0.749598  0.250095  0.583354  1
  Si  Si130  1  0.749821  0.250321  0.916385  1
  Si  Si131  1  0.749693  0.583625  0.249746  1
  Si  Si132  1  0.749778  0.583604  0.583158  1
  Si  Si133  1  0.749788  0.583508  0.916430  1
  Si  Si134  1  0.749710  0.916784  0.249889  1
  Si  Si135  1  0.749755  0.916814  0.583203  1
  Si  Si136  1  0.749687  0.916745  0.916389  1
  Si  Si137  1  0.166491  0.998968  0.166474  1
  Si  Si138  1  0.166583  0.000222  0.500117  1
  Si  Si139  1  0.166408  0.000268  0.832802  1
  Si  Si140  1  0.166557  0.334713  0.166555  1
  Si  Si141  1  0.166532  0.333428  0.500151  1
  Si  Si142  1  0.166552  0.333428  0.832856  1
  Si  Si143  1  0.166465  0.666839  0.166453  1
  Si  Si144  1  0.166454  0.666892  0.499816  1
  Si  Si145  1  0.166462  0.666818  0.833174  1
  Si  Si146  1  0.500145  0.000185  0.166514  1
  Si  Si147  1  0.500327  0.999854  0.500287  1
  Si  Si148  1  0.499921  0.000158  0.832923  1
  Si  Si149  1  0.500148  0.333376  0.166455  1
  Si  Si150  1  0.499947  0.333674  0.499915  1
  Si  Si151  1  0.500353  0.333779  0.832648  1
  Si  Si152  1  0.499816  0.666863  0.166434  1
  Si  Si153  1  0.499895  0.666779  0.499895  1
  Si  Si154  1  0.499890  0.666887  0.833070  1
  Si  Si155  1  0.832826  0.000238  0.166402  1
  Si  Si156  1  0.832970  0.000140  0.499897  1
  Si  Si157  1  0.832758  0.999863  0.832710  1
  Si  Si158  1  0.832871  0.333406  0.166564  1
  Si  Si159  1  0.832653  0.333784  0.500335  1
  Si  Si160  1  0.833076  0.333599  0.833040  1
  Si  Si161  1  0.833172  0.666808  0.166495  1
  Si  Si162  1  0.833078  0.666887  0.499874  1
  Si  Si163  1  0.833018  0.666777  0.833068  1
  Si  Si164  1  0.079419  0.079662  0.079398  1
  Si  Si165  1  0.082679  0.082960  0.416530  1
  Si  Si166  1  0.083106  0.083506  0.749543  1
  Si  Si167  1  0.082689  0.416853  0.082654  1
  Si  Si168  1  0.083905  0.417863  0.417517  1
  Si  Si169  1  0.083003  0.416935  0.749803  1
  Si  Si170  1  0.083083  0.749954  0.083083  1
  Si  Si171  1  0.082992  0.750216  0.416571  1
  Si  Si172  1  0.083222  0.749989  0.749616  1
  Si  Si173  1  0.416549  0.082938  0.082638  1
  Si  Si174  1  0.417503  0.084138  0.417473  1
  Si  Si175  1  0.416569  0.083489  0.749674  1
  Si  Si176  1  0.417528  0.417828  0.083850  1
  Si  Si177  1  0.416824  0.417276  0.416817  1
  Si  Si178  1  0.416614  0.416926  0.749644  1
  Si  Si179  1  0.416609  0.750188  0.082939  1
  Si  Si180  1  0.416571  0.750001  0.416549  1
  Si  Si181  1  0.416533  0.750157  0.749736  1
  Si  Si182  1  0.749589  0.083477  0.083080  1
  Si  Si183  1  0.749706  0.083422  0.416501  1
  Si  Si184  1  0.749704  0.083577  0.749671  1
  Si  Si185  1  0.749765  0.416874  0.083015  1
  Si  Si186  1  0.749645  0.416891  0.416547  1
  Si  Si187  1  0.749811  0.416943  0.749762  1
  Si  Si188  1  0.749614  0.749949  0.083227  1
  Si  Si189  1  0.749738  0.750130  0.416507  1
  Si  Si190  1  0.749772  0.750142  0.749739  1
  Si  Si191  1  0.166557  0.166786  0.998622  1
  Si  Si192  1  0.166500  0.166852  0.334344  1
  Si  Si193  1  0.166475  0.166885  0.666437  1
  Si  Si194  1  0.166557  0.500478  0.999928  1
  Si  Si195  1  0.166443  0.500561  0.333064  1
  Si  Si196  1  0.166492  0.500169  0.666539  1
  Si  Si197  1  0.166499  0.833156  0.999937  1
  Si  Si198  1  0.166602  0.833193  0.333097  1
  Si  Si199  1  0.166442  0.833557  0.666469  1
  Si  Si200  1  0.500160  0.166818  0.999887  1
  Si  Si201  1  0.500157  0.166753  0.333113  1
  Si  Si202  1  0.499849  0.166912  0.666427  1
  Si  Si203  1  0.500337  0.500643  0.999520  1
  Si  Si204  1  0.499919  0.500345  0.333195  1
  Si  Si205  1  0.499910  0.500292  0.666468  1
  Si  Si206  1  0.499942  0.833420  0.999631  1
  Si  Si207  1  0.500336  0.833009  0.333465  1
  Si  Si208  1  0.499895  0.833463  0.666521  1
  Si  Si209  1  0.832886  0.166786  0.999915  1
  Si  Si210  1  0.832817  0.166907  0.333054  1
  Si  Si211  1  0.833176  0.166862  0.666516  1
  Si  Si212  1  0.833041  0.500230  0.999779  1
  Si  Si213  1  0.832746  0.500605  0.333482  1
  Si  Si214  1  0.833072  0.500342  0.666549  1
  Si  Si215  1  0.832667  0.832984  0.999547  1
  Si  Si216  1  0.832970  0.833410  0.333181  1
  Si  Si217  1  0.833075  0.833446  0.666478  1
