# generated using pymatgen
data_CsSi216
_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   CsSi216
_chemical_formula_sum   'Cs1 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
  Cs  Cs1  1  0.083398  0.250113  0.083242  1
  Si  Si2  1  0.261872  0.249895  0.083335  1
  Si  Si3  1  0.251396  0.250359  0.418645  1
  Si  Si4  1  0.251439  0.249642  0.748126  1
  Si  Si5  1  0.251440  0.585246  0.083668  1
  Si  Si6  1  0.250604  0.585241  0.418596  1
  Si  Si7  1  0.250234  0.583481  0.749935  1
  Si  Si8  1  0.251344  0.914783  0.083014  1
  Si  Si9  1  0.250165  0.916508  0.416875  1
  Si  Si10  1  0.250613  0.914730  0.748055  1
  Si  Si11  1  0.583363  0.250051  0.083439  1
  Si  Si12  1  0.583360  0.249984  0.417590  1
  Si  Si13  1  0.583387  0.250011  0.749103  1
  Si  Si14  1  0.583360  0.584282  0.083378  1
  Si  Si15  1  0.583455  0.583652  0.416972  1
  Si  Si16  1  0.583199  0.583582  0.749674  1
  Si  Si17  1  0.583364  0.915682  0.083374  1
  Si  Si18  1  0.583147  0.916442  0.416880  1
  Si  Si19  1  0.583457  0.916341  0.749757  1
  Si  Si20  1  0.904888  0.250047  0.083233  1
  Si  Si21  1  0.915294  0.249684  0.418550  1
  Si  Si22  1  0.915219  0.250270  0.748131  1
  Si  Si23  1  0.915277  0.585241  0.083010  1
  Si  Si24  1  0.916528  0.583446  0.416896  1
  Si  Si25  1  0.916148  0.585274  0.748022  1
  Si  Si26  1  0.915287  0.914688  0.083657  1
  Si  Si27  1  0.916131  0.914744  0.418622  1
  Si  Si28  1  0.916389  0.916475  0.749784  1
  Si  Si29  1  0.998082  0.995568  0.998074  1
  Si  Si30  1  0.000196  0.996792  0.336590  1
  Si  Si31  1  0.999734  0.998918  0.665818  1
  Si  Si32  1  0.988178  0.345255  0.987973  1
  Si  Si33  1  0.998112  0.335256  0.337672  1
  Si  Si34  1  0.999712  0.333566  0.666080  1
  Si  Si35  1  0.999723  0.667369  0.999742  1
  Si  Si36  1  0.999857  0.667418  0.334443  1
  Si  Si37  1  0.999935  0.667620  0.665736  1
  Si  Si38  1  0.336561  0.996762  0.000201  1
  Si  Si39  1  0.333403  0.999871  0.333459  1
  Si  Si40  1  0.333748  0.999644  0.666245  1
  Si  Si41  1  0.337777  0.335200  0.998140  1
  Si  Si42  1  0.336628  0.333141  0.336651  1
  Si  Si43  1  0.334434  0.333530  0.665884  1
  Si  Si44  1  0.334452  0.667470  0.999777  1
  Si  Si45  1  0.333703  0.667085  0.333676  1
  Si  Si46  1  0.333591  0.666683  0.666699  1
  Si  Si47  1  0.665866  0.998875  0.999808  1
  Si  Si48  1  0.666285  0.999631  0.333668  1
  Si  Si49  1  0.666551  0.999707  0.666632  1
  Si  Si50  1  0.666003  0.333620  0.999770  1
  Si  Si51  1  0.665896  0.333529  0.334411  1
  Si  Si52  1  0.665781  0.333472  0.665761  1
  Si  Si53  1  0.665762  0.667586  0.999895  1
  Si  Si54  1  0.666646  0.666725  0.333676  1
  Si  Si55  1  0.666512  0.666771  0.666430  1
  Si  Si56  1  0.250017  0.083238  0.250181  1
  Si  Si57  1  0.250408  0.082971  0.583205  1
  Si  Si58  1  0.259290  0.074033  0.907360  1
  Si  Si59  1  0.259367  0.425905  0.259305  1
  Si  Si60  1  0.250387  0.417027  0.583565  1
  Si  Si61  1  0.250146  0.416708  0.916687  1
  Si  Si62  1  0.250349  0.750164  0.250404  1
  Si  Si63  1  0.250521  0.749959  0.583345  1
  Si  Si64  1  0.250393  0.749840  0.916345  1
  Si  Si65  1  0.583180  0.082915  0.250357  1
  Si  Si66  1  0.583316  0.082852  0.583310  1
  Si  Si67  1  0.583488  0.082915  0.916369  1
  Si  Si68  1  0.583530  0.417047  0.250447  1
  Si  Si69  1  0.583356  0.417161  0.583370  1
  Si  Si70  1  0.583230  0.417082  0.916309  1
  Si  Si71  1  0.583386  0.750015  0.250525  1
  Si  Si72  1  0.583207  0.750027  0.583267  1
  Si  Si73  1  0.583313  0.749950  0.916199  1
  Si  Si74  1  0.907482  0.074084  0.259190  1
  Si  Si75  1  0.916220  0.082951  0.583501  1
  Si  Si76  1  0.916528  0.083141  0.916586  1
  Si  Si77  1  0.916557  0.416764  0.250103  1
  Si  Si78  1  0.916309  0.416992  0.583202  1
  Si  Si79  1  0.907348  0.425981  0.907348  1
  Si  Si80  1  0.916330  0.749753  0.250446  1
  Si  Si81  1  0.916186  0.750024  0.583359  1
  Si  Si82  1  0.916313  0.750155  0.916224  1
  Si  Si83  1  0.988189  0.154836  0.178396  1
  Si  Si84  1  0.999684  0.166410  0.500731  1
  Si  Si85  1  0.998024  0.164650  0.828959  1
  Si  Si86  1  0.998075  0.504365  0.168605  1
  Si  Si87  1  0.999840  0.501003  0.500875  1
  Si  Si88  1  0.000188  0.503252  0.830088  1
  Si  Si89  1  0.999709  0.832615  0.166999  1
  Si  Si90  1  0.999897  0.832410  0.500946  1
  Si  Si91  1  0.999779  0.832528  0.832211  1
  Si  Si92  1  0.337704  0.164679  0.168675  1
  Si  Si93  1  0.334417  0.166457  0.500843  1
  Si  Si94  1  0.336639  0.166831  0.830109  1
  Si  Si95  1  0.336610  0.503233  0.166488  1
  Si  Si96  1  0.333692  0.500341  0.500467  1
  Si  Si97  1  0.333463  0.500041  0.833297  1
  Si  Si98  1  0.334340  0.832505  0.166875  1
  Si  Si99  1  0.333578  0.833289  0.500029  1
  Si  Si100  1  0.333702  0.832911  0.833007  1
  Si  Si101  1  0.666008  0.166371  0.166949  1
  Si  Si102  1  0.665765  0.166529  0.500907  1
  Si  Si103  1  0.665820  0.166414  0.832335  1
  Si  Si104  1  0.665854  0.501070  0.166936  1
  Si  Si105  1  0.666604  0.500282  0.500037  1
  Si  Si106  1  0.666276  0.500397  0.832949  1
  Si  Si107  1  0.665812  0.832387  0.166823  1
  Si  Si108  1  0.666483  0.833233  0.500069  1
  Si  Si109  1  0.666593  0.833204  0.833041  1
  Si  Si110  1  0.083371  0.249992  0.261765  1
  Si  Si111  1  0.083302  0.249939  0.583462  1
  Si  Si112  1  0.083316  0.249946  0.904765  1
  Si  Si113  1  0.083717  0.585175  0.251417  1
  Si  Si114  1  0.083386  0.584230  0.583374  1
  Si  Si115  1  0.082994  0.585253  0.915292  1
  Si  Si116  1  0.082985  0.914755  0.251421  1
  Si  Si117  1  0.083346  0.915738  0.583349  1
  Si  Si118  1  0.083675  0.914725  0.915254  1
  Si  Si119  1  0.418586  0.250289  0.251458  1
  Si  Si120  1  0.417641  0.250005  0.583344  1
  Si  Si121  1  0.418644  0.249648  0.915304  1
  Si  Si122  1  0.418635  0.585264  0.250566  1
  Si  Si123  1  0.416893  0.583583  0.583552  1
  Si  Si124  1  0.416887  0.583447  0.916478  1
  Si  Si125  1  0.416785  0.916477  0.250198  1
  Si  Si126  1  0.416913  0.916376  0.583156  1
  Si  Si127  1  0.418607  0.914727  0.916145  1
  Si  Si128  1  0.748133  0.249663  0.251371  1
  Si  Si129  1  0.749069  0.249977  0.583347  1
  Si  Si130  1  0.748079  0.250304  0.915321  1
  Si  Si131  1  0.749831  0.583474  0.250304  1
  Si  Si132  1  0.749769  0.583576  0.583122  1
  Si  Si133  1  0.748086  0.585313  0.916074  1
  Si  Si134  1  0.748149  0.914688  0.250602  1
  Si  Si135  1  0.749647  0.916419  0.583454  1
  Si  Si136  1  0.749793  0.916396  0.916460  1
  Si  Si137  1  0.168541  0.995655  0.168611  1
  Si  Si138  1  0.166878  0.998973  0.500864  1
  Si  Si139  1  0.166501  0.996720  0.830075  1
  Si  Si140  1  0.178695  0.345118  0.178561  1
  Si  Si141  1  0.166917  0.333566  0.500791  1
  Si  Si142  1  0.168653  0.335231  0.829009  1
  Si  Si143  1  0.166964  0.667305  0.166965  1
  Si  Si144  1  0.166836  0.667540  0.500940  1
  Si  Si145  1  0.166895  0.667504  0.832314  1
  Si  Si146  1  0.500813  0.998888  0.166886  1
  Si  Si147  1  0.500021  0.999723  0.500038  1
  Si  Si148  1  0.500447  0.999602  0.833007  1
  Si  Si149  1  0.500692  0.333606  0.167041  1
  Si  Si150  1  0.500982  0.333458  0.500941  1
  Si  Si151  1  0.500888  0.333553  0.832317  1
  Si  Si152  1  0.500957  0.667621  0.166826  1
  Si  Si153  1  0.500000  0.666786  0.500106  1
  Si  Si154  1  0.500067  0.666643  0.833063  1
  Si  Si155  1  0.830143  0.996715  0.166484  1
  Si  Si156  1  0.832934  0.999626  0.500405  1
  Si  Si157  1  0.833163  0.999816  0.833231  1
  Si  Si158  1  0.828987  0.335264  0.168547  1
  Si  Si159  1  0.832282  0.333525  0.500838  1
  Si  Si160  1  0.830067  0.333123  0.830119  1
  Si  Si161  1  0.832284  0.667432  0.166959  1
  Si  Si162  1  0.833132  0.666693  0.500054  1
  Si  Si163  1  0.832987  0.667094  0.832893  1
  Si  Si164  1  0.083316  0.071528  0.083292  1
  Si  Si165  1  0.082980  0.081971  0.418636  1
  Si  Si166  1  0.083637  0.081870  0.748097  1
  Si  Si167  1  0.083378  0.428523  0.083352  1
  Si  Si168  1  0.083710  0.418010  0.418601  1
  Si  Si169  1  0.083030  0.418030  0.748150  1
  Si  Si170  1  0.083322  0.749962  0.083436  1
  Si  Si171  1  0.083358  0.749973  0.417650  1
  Si  Si172  1  0.083394  0.750023  0.749066  1
  Si  Si173  1  0.418572  0.081923  0.083041  1
  Si  Si174  1  0.416814  0.083102  0.416846  1
  Si  Si175  1  0.418675  0.082758  0.748073  1
  Si  Si176  1  0.418627  0.418040  0.083714  1
  Si  Si177  1  0.418646  0.417249  0.418657  1
  Si  Si178  1  0.416877  0.416838  0.749885  1
  Si  Si179  1  0.417593  0.749999  0.083360  1
  Si  Si180  1  0.416900  0.750197  0.416887  1
  Si  Si181  1  0.416918  0.749797  0.749800  1
  Si  Si182  1  0.748108  0.081891  0.083687  1
  Si  Si183  1  0.748103  0.082788  0.418553  1
  Si  Si184  1  0.749756  0.083068  0.749878  1
  Si  Si185  1  0.748105  0.418105  0.083011  1
  Si  Si186  1  0.749831  0.416861  0.416885  1
  Si  Si187  1  0.748099  0.417244  0.748076  1
  Si  Si188  1  0.749120  0.749952  0.083375  1
  Si  Si189  1  0.749769  0.749840  0.416997  1
  Si  Si190  1  0.749691  0.750107  0.749659  1
  Si  Si191  1  0.178467  0.154685  0.988059  1
  Si  Si192  1  0.168561  0.164785  0.337778  1
  Si  Si193  1  0.166948  0.166355  0.666059  1
  Si  Si194  1  0.168617  0.504399  0.998091  1
  Si  Si195  1  0.166543  0.503173  0.336592  1
  Si  Si196  1  0.166918  0.501054  0.665926  1
  Si  Si197  1  0.166901  0.832625  0.999774  1
  Si  Si198  1  0.166866  0.832510  0.334430  1
  Si  Si199  1  0.166846  0.832414  0.665726  1
  Si  Si200  1  0.500715  0.166405  0.999819  1
  Si  Si201  1  0.500849  0.166396  0.334418  1
  Si  Si202  1  0.500975  0.166573  0.665757  1
  Si  Si203  1  0.500869  0.501054  0.999832  1
  Si  Si204  1  0.500446  0.500386  0.333738  1
  Si  Si205  1  0.500025  0.500242  0.666646  1
  Si  Si206  1  0.500934  0.832388  0.999905  1
  Si  Si207  1  0.500028  0.833315  0.333572  1
  Si  Si208  1  0.500044  0.833198  0.666582  1
  Si  Si209  1  0.828963  0.164698  0.998092  1
  Si  Si210  1  0.830161  0.166845  0.336516  1
  Si  Si211  1  0.832200  0.166398  0.665893  1
  Si  Si212  1  0.830087  0.503274  0.000170  1
  Si  Si213  1  0.833245  0.500085  0.333508  1
  Si  Si214  1  0.833000  0.500361  0.666230  1
  Si  Si215  1  0.832286  0.832447  0.999767  1
  Si  Si216  1  0.833029  0.832860  0.333751  1
  Si  Si217  1  0.832975  0.833294  0.666578  1