# generated using pymatgen
data_NaSi216
_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   NaSi216
_chemical_formula_sum   'Na1 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
  Na  Na1  1  0.083324  0.250052  0.083329  1
  Si  Si2  1  0.253369  0.250070  0.083281  1
  Si  Si3  1  0.250229  0.250114  0.417188  1
  Si  Si4  1  0.250188  0.249977  0.749458  1
  Si  Si5  1  0.250149  0.583936  0.083345  1
  Si  Si6  1  0.250158  0.584047  0.417343  1
  Si  Si7  1  0.249810  0.583350  0.750010  1
  Si  Si8  1  0.250235  0.916153  0.083183  1
  Si  Si9  1  0.249903  0.916787  0.416594  1
  Si  Si10  1  0.250059  0.916066  0.749267  1
  Si  Si11  1  0.583323  0.249923  0.083433  1
  Si  Si12  1  0.583248  0.249903  0.416836  1
  Si  Si13  1  0.583390  0.249962  0.749821  1
  Si  Si14  1  0.583317  0.583390  0.083431  1
  Si  Si15  1  0.583391  0.583259  0.416628  1
  Si  Si16  1  0.583269  0.583281  0.750104  1
  Si  Si17  1  0.583201  0.916496  0.083257  1
  Si  Si18  1  0.583142  0.916621  0.416640  1
  Si  Si19  1  0.583497  0.916640  0.749985  1
  Si  Si20  1  0.913272  0.249986  0.083373  1
  Si  Si21  1  0.916493  0.249936  0.417186  1
  Si  Si22  1  0.916436  0.250071  0.749415  1
  Si  Si23  1  0.916449  0.583907  0.083307  1
  Si  Si24  1  0.916720  0.583327  0.416527  1
  Si  Si25  1  0.916472  0.584021  0.749314  1
  Si  Si26  1  0.916416  0.916136  0.083428  1
  Si  Si27  1  0.916509  0.915992  0.417220  1
  Si  Si28  1  0.916673  0.916804  0.750073  1
  Si  Si29  1  0.999300  0.999042  0.999382  1
  Si  Si30  1  0.000498  0.998753  0.334517  1
  Si  Si31  1  0.999840  0.999955  0.666426  1
  Si  Si32  1  0.994565  0.338717  0.994651  1
  Si  Si33  1  0.999366  0.334009  0.334312  1
  Si  Si34  1  0.999934  0.333347  0.666315  1
  Si  Si35  1  0.999910  0.666967  0.999971  1
  Si  Si36  1  0.000019  0.666899  0.333464  1
  Si  Si37  1  0.999970  0.667008  0.666335  1
  Si  Si38  1  0.334603  0.998787  0.000342  1
  Si  Si39  1  0.333342  0.999993  0.333323  1
  Si  Si40  1  0.333296  0.000067  0.666523  1
  Si  Si41  1  0.334282  0.334081  0.999276  1
  Si  Si42  1  0.334590  0.332926  0.334534  1
  Si  Si43  1  0.333510  0.333413  0.666485  1
  Si  Si44  1  0.333395  0.666915  0.999843  1
  Si  Si45  1  0.333306  0.666850  0.333316  1
  Si  Si46  1  0.333149  0.666681  0.666692  1
  Si  Si47  1  0.666407  0.999821  0.999983  1
  Si  Si48  1  0.666458  0.999942  0.333367  1
  Si  Si49  1  0.666812  0.999970  0.666661  1
  Si  Si50  1  0.666376  0.333307  0.000026  1
  Si  Si51  1  0.666401  0.333270  0.333548  1
  Si  Si52  1  0.666329  0.333340  0.666358  1
  Si  Si53  1  0.666334  0.666915  0.000152  1
  Si  Si54  1  0.666654  0.666562  0.333234  1
  Si  Si55  1  0.666743  0.666584  0.666741  1
  Si  Si56  1  0.250163  0.083323  0.249977  1
  Si  Si57  1  0.250028  0.083451  0.583296  1
  Si  Si58  1  0.253951  0.079411  0.912656  1
  Si  Si59  1  0.253987  0.420689  0.253937  1
  Si  Si60  1  0.249958  0.416705  0.583428  1
  Si  Si61  1  0.249943  0.416818  0.916565  1
  Si  Si62  1  0.250056  0.750065  0.249892  1
  Si  Si63  1  0.249900  0.750118  0.583352  1
  Si  Si64  1  0.249918  0.750062  0.916532  1
  Si  Si65  1  0.583190  0.083178  0.250042  1
  Si  Si66  1  0.583363  0.083121  0.583282  1
  Si  Si67  1  0.583447  0.083317  0.916571  1
  Si  Si68  1  0.583299  0.416585  0.250117  1
  Si  Si69  1  0.583250  0.416854  0.583380  1
  Si  Si70  1  0.583278  0.416612  0.916703  1
  Si  Si71  1  0.583200  0.749946  0.250064  1
  Si  Si72  1  0.583252  0.749901  0.583386  1
  Si  Si73  1  0.583303  0.749873  0.916569  1
  Si  Si74  1  0.912717  0.079356  0.253955  1
  Si  Si75  1  0.916557  0.083375  0.583218  1
  Si  Si76  1  0.916496  0.083253  0.916665  1
  Si  Si77  1  0.916525  0.416702  0.250116  1
  Si  Si78  1  0.916602  0.416679  0.583204  1
  Si  Si79  1  0.912645  0.420664  0.912703  1
  Si  Si80  1  0.916684  0.749932  0.250006  1
  Si  Si81  1  0.916587  0.750077  0.583210  1
  Si  Si82  1  0.916526  0.750081  0.916732  1
  Si  Si83  1  0.994665  0.161315  0.172052  1
  Si  Si84  1  0.999990  0.166627  0.500182  1
  Si  Si85  1  0.999241  0.166015  0.832382  1
  Si  Si86  1  0.999279  0.500981  0.167377  1
  Si  Si87  1  0.999917  0.500199  0.500155  1
  Si  Si88  1  0.000399  0.501249  0.832070  1
  Si  Si89  1  0.999946  0.833114  0.166691  1
  Si  Si90  1  0.000079  0.833090  0.500172  1
  Si  Si91  1  0.999841  0.833180  0.833231  1
  Si  Si92  1  0.334346  0.166068  0.167222  1
  Si  Si93  1  0.333521  0.166734  0.500234  1
  Si  Si94  1  0.334605  0.167141  0.832069  1
  Si  Si95  1  0.334571  0.501318  0.166187  1
  Si  Si96  1  0.333284  0.499994  0.500161  1
  Si  Si97  1  0.333256  0.500077  0.833289  1
  Si  Si98  1  0.333511  0.833121  0.166587  1
  Si  Si99  1  0.333186  0.833437  0.499971  1
  Si  Si100  1  0.333262  0.833270  0.833248  1
  Si  Si101  1  0.666340  0.166531  0.166794  1
  Si  Si102  1  0.666356  0.166667  0.500276  1
  Si  Si103  1  0.666550  0.166602  0.833117  1
  Si  Si104  1  0.666411  0.500041  0.166782  1
  Si  Si105  1  0.666707  0.499954  0.499962  1
  Si  Si106  1  0.666539  0.499974  0.833410  1
  Si  Si107  1  0.666235  0.833063  0.166630  1
  Si  Si108  1  0.666631  0.833304  0.499946  1
  Si  Si109  1  0.666712  0.833305  0.833395  1
  Si  Si110  1  0.083377  0.250030  0.253377  1
  Si  Si111  1  0.083352  0.250023  0.583209  1
  Si  Si112  1  0.083264  0.250028  0.913279  1
  Si  Si113  1  0.083418  0.583914  0.250135  1
  Si  Si114  1  0.083246  0.583540  0.583289  1
  Si  Si115  1  0.083195  0.583926  0.916458  1
  Si  Si116  1  0.083331  0.916149  0.250110  1
  Si  Si117  1  0.083187  0.916663  0.583268  1
  Si  Si118  1  0.083343  0.916181  0.916460  1
  Si  Si119  1  0.417213  0.250066  0.250164  1
  Si  Si120  1  0.416887  0.250064  0.583366  1
  Si  Si121  1  0.417230  0.249982  0.916464  1
  Si  Si122  1  0.417321  0.584054  0.250153  1
  Si  Si123  1  0.416525  0.583349  0.583444  1
  Si  Si124  1  0.416544  0.583267  0.916717  1
  Si  Si125  1  0.416547  0.916692  0.249876  1
  Si  Si126  1  0.416560  0.916712  0.583278  1
  Si  Si127  1  0.417343  0.916034  0.916371  1
  Si  Si128  1  0.749410  0.249877  0.250217  1
  Si  Si129  1  0.749765  0.250023  0.583312  1
  Si  Si130  1  0.749446  0.250076  0.916479  1
  Si  Si131  1  0.749998  0.583196  0.249947  1
  Si  Si132  1  0.750064  0.583350  0.583173  1
  Si  Si133  1  0.749308  0.584039  0.916557  1
  Si  Si134  1  0.749249  0.915991  0.250147  1
  Si  Si135  1  0.750080  0.916613  0.583289  1
  Si  Si136  1  0.749953  0.916644  0.916808  1
  Si  Si137  1  0.167399  0.999068  0.167259  1
  Si  Si138  1  0.166713  0.999917  0.500220  1
  Si  Si139  1  0.166156  0.998832  0.832062  1
  Si  Si140  1  0.172031  0.338761  0.172010  1
  Si  Si141  1  0.166721  0.333420  0.500209  1
  Si  Si142  1  0.167258  0.334014  0.832328  1
  Si  Si143  1  0.166660  0.667003  0.166617  1
  Si  Si144  1  0.166575  0.666997  0.500264  1
  Si  Si145  1  0.166589  0.666940  0.833125  1
  Si  Si146  1  0.500112  0.999811  0.166643  1
  Si  Si147  1  0.499865  0.000014  0.499921  1
  Si  Si148  1  0.500208  0.000016  0.833244  1
  Si  Si149  1  0.500233  0.333367  0.166691  1
  Si  Si150  1  0.500308  0.333327  0.500287  1
  Si  Si151  1  0.500237  0.333357  0.833134  1
  Si  Si152  1  0.500218  0.666955  0.166527  1
  Si  Si153  1  0.499876  0.666585  0.499930  1
  Si  Si154  1  0.499872  0.666575  0.833361  1
  Si  Si155  1  0.832042  0.998763  0.166252  1
  Si  Si156  1  0.833324  0.999974  0.500019  1
  Si  Si157  1  0.833231  0.999940  0.833385  1
  Si  Si158  1  0.832311  0.333948  0.167358  1
  Si  Si159  1  0.833142  0.333317  0.500182  1
  Si  Si160  1  0.832062  0.332914  0.832067  1
  Si  Si161  1  0.833133  0.666854  0.166764  1
  Si  Si162  1  0.833373  0.666671  0.499844  1
  Si  Si163  1  0.833320  0.666814  0.833358  1
  Si  Si164  1  0.083346  0.079993  0.083321  1
  Si  Si165  1  0.083317  0.083156  0.417155  1
  Si  Si166  1  0.083324  0.083222  0.749421  1
  Si  Si167  1  0.083266  0.420083  0.083346  1
  Si  Si168  1  0.083410  0.416925  0.417185  1
  Si  Si169  1  0.083197  0.416852  0.749401  1
  Si  Si170  1  0.083276  0.750110  0.083257  1
  Si  Si171  1  0.083425  0.750080  0.416712  1
  Si  Si172  1  0.083157  0.750080  0.749865  1
  Si  Si173  1  0.417229  0.083178  0.083170  1
  Si  Si174  1  0.416528  0.083411  0.416644  1
  Si  Si175  1  0.417372  0.083207  0.749288  1
  Si  Si176  1  0.417201  0.416894  0.083379  1
  Si  Si177  1  0.417311  0.416846  0.417348  1
  Si  Si178  1  0.416584  0.416655  0.750118  1
  Si  Si179  1  0.416770  0.749991  0.083164  1
  Si  Si180  1  0.416542  0.750132  0.416675  1
  Si  Si181  1  0.416544  0.749911  0.750016  1
  Si  Si182  1  0.749394  0.083126  0.083428  1
  Si  Si183  1  0.749300  0.083160  0.417281  1
  Si  Si184  1  0.750129  0.083347  0.749977  1
  Si  Si185  1  0.749428  0.416821  0.083293  1
  Si  Si186  1  0.749971  0.416522  0.416654  1
  Si  Si187  1  0.749312  0.416861  0.749308  1
  Si  Si188  1  0.749760  0.749991  0.083456  1
  Si  Si189  1  0.749937  0.749910  0.416537  1
  Si  Si190  1  0.750088  0.750104  0.749999  1
  Si  Si191  1  0.172011  0.161362  0.994600  1
  Si  Si192  1  0.167400  0.166027  0.334271  1
  Si  Si193  1  0.166675  0.166706  0.666396  1
  Si  Si194  1  0.167234  0.501033  0.999346  1
  Si  Si195  1  0.166247  0.501300  0.334547  1
  Si  Si196  1  0.166607  0.500204  0.666431  1
  Si  Si197  1  0.166678  0.833149  0.999916  1
  Si  Si198  1  0.166780  0.833173  0.333396  1
  Si  Si199  1  0.166416  0.833147  0.666362  1
  Si  Si200  1  0.500317  0.166647  0.999905  1
  Si  Si201  1  0.500133  0.166568  0.333483  1
  Si  Si202  1  0.500369  0.166684  0.666317  1
  Si  Si203  1  0.500197  0.500167  0.999950  1
  Si  Si204  1  0.500091  0.500003  0.333328  1
  Si  Si205  1  0.499870  0.500034  0.666784  1
  Si  Si206  1  0.500245  0.833024  0.999912  1
  Si  Si207  1  0.499846  0.833366  0.333254  1
  Si  Si208  1  0.499906  0.833372  0.666732  1
  Si  Si209  1  0.832295  0.166021  0.999395  1
  Si  Si210  1  0.832111  0.167093  0.334563  1
  Si  Si211  1  0.833139  0.166661  0.666386  1
  Si  Si212  1  0.832056  0.501263  0.000488  1
  Si  Si213  1  0.833249  0.499983  0.333398  1
  Si  Si214  1  0.833325  0.500014  0.666477  1
  Si  Si215  1  0.833072  0.833110  0.000070  1
  Si  Si216  1  0.833298  0.833180  0.333266  1
  Si  Si217  1  0.833425  0.833419  0.666686  1