# generated using pymatgen
data_CuSi216
_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   CuSi216
_chemical_formula_sum   'Cu1 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
  Cu  Cu1  1  0.124868  0.208413  0.124888  1
  Si  Si2  1  0.255758  0.251927  0.081395  1
  Si  Si3  1  0.250365  0.249968  0.417648  1
  Si  Si4  1  0.250048  0.249907  0.749613  1
  Si  Si5  1  0.250084  0.583686  0.083396  1
  Si  Si6  1  0.250226  0.583625  0.417085  1
  Si  Si7  1  0.249899  0.583839  0.749498  1
  Si  Si8  1  0.250416  0.915670  0.083318  1
  Si  Si9  1  0.250044  0.916810  0.416528  1
  Si  Si10  1  0.250284  0.916230  0.749725  1
  Si  Si11  1  0.583520  0.250138  0.083212  1
  Si  Si12  1  0.583495  0.250015  0.416854  1
  Si  Si13  1  0.583405  0.250080  0.749737  1
  Si  Si14  1  0.583417  0.583597  0.083239  1
  Si  Si15  1  0.583268  0.583513  0.416880  1
  Si  Si16  1  0.583322  0.583460  0.749783  1
  Si  Si17  1  0.583501  0.916390  0.083335  1
  Si  Si18  1  0.583316  0.916471  0.416847  1
  Si  Si19  1  0.583491  0.916572  0.749900  1
  Si  Si20  1  0.915137  0.250160  0.083211  1
  Si  Si21  1  0.915977  0.249921  0.417272  1
  Si  Si22  1  0.916280  0.250331  0.749555  1
  Si  Si23  1  0.916284  0.583824  0.083046  1
  Si  Si24  1  0.916477  0.583608  0.416742  1
  Si  Si25  1  0.916507  0.583064  0.750191  1
  Si  Si26  1  0.916074  0.916009  0.083437  1
  Si  Si27  1  0.916467  0.915876  0.417503  1
  Si  Si28  1  0.916508  0.916781  0.749816  1
  Si  Si29  1  0.996870  0.998510  0.996890  1
  Si  Si30  1  0.000800  0.998523  0.334805  1
  Si  Si31  1  0.999940  0.999975  0.666570  1
  Si  Si32  1  0.000755  0.332592  0.000741  1
  Si  Si33  1  0.996830  0.336450  0.334834  1
  Si  Si34  1  0.999740  0.333570  0.666440  1
  Si  Si35  1  0.999793  0.666884  0.999788  1
  Si  Si36  1  0.999930  0.666785  0.333474  1
  Si  Si37  1  0.999819  0.666404  0.666935  1
  Si  Si38  1  0.334818  0.998524  0.000772  1
  Si  Si39  1  0.332819  0.000395  0.332897  1
  Si  Si40  1  0.333545  0.999794  0.666692  1
  Si  Si41  1  0.334835  0.336433  0.996860  1
  Si  Si42  1  0.334767  0.332485  0.334765  1
  Si  Si43  1  0.333401  0.333358  0.666464  1
  Si  Si44  1  0.333447  0.666796  0.999919  1
  Si  Si45  1  0.333530  0.666658  0.333569  1
  Si  Si46  1  0.333409  0.667011  0.666379  1
  Si  Si47  1  0.666574  0.999886  0.000003  1
  Si  Si48  1  0.666662  0.999756  0.333542  1
  Si  Si49  1  0.666364  0.999961  0.666352  1
  Si  Si50  1  0.666431  0.333616  0.999749  1
  Si  Si51  1  0.666507  0.333432  0.333374  1
  Si  Si52  1  0.666868  0.333522  0.666892  1
  Si  Si53  1  0.666919  0.666424  0.999810  1
  Si  Si54  1  0.666304  0.666980  0.333531  1
  Si  Si55  1  0.666654  0.666789  0.666670  1
  Si  Si56  1  0.249231  0.084050  0.249271  1
  Si  Si57  1  0.250215  0.083080  0.583536  1
  Si  Si58  1  0.253137  0.080222  0.915135  1
  Si  Si59  1  0.253080  0.418164  0.253106  1
  Si  Si60  1  0.249961  0.416846  0.583380  1
  Si  Si61  1  0.249156  0.418101  0.915194  1
  Si  Si62  1  0.250231  0.749762  0.250206  1
  Si  Si63  1  0.250096  0.750279  0.583117  1
  Si  Si64  1  0.250046  0.749959  0.916488  1
  Si  Si65  1  0.583537  0.083064  0.250197  1
  Si  Si66  1  0.583054  0.083209  0.583019  1
  Si  Si67  1  0.583514  0.083351  0.916538  1
  Si  Si68  1  0.583378  0.416890  0.249961  1
  Si  Si69  1  0.583585  0.416834  0.583647  1
  Si  Si70  1  0.583269  0.416931  0.916393  1
  Si  Si71  1  0.583040  0.750242  0.250186  1
  Si  Si72  1  0.583410  0.750003  0.583503  1
  Si  Si73  1  0.583707  0.749663  0.916439  1
  Si  Si74  1  0.915145  0.080205  0.253126  1
  Si  Si75  1  0.916476  0.083397  0.583455  1
  Si  Si76  1  0.915214  0.084218  0.915233  1
  Si  Si77  1  0.915170  0.418149  0.249175  1
  Si  Si78  1  0.916384  0.416879  0.583279  1
  Si  Si79  1  0.917134  0.416239  0.917116  1
  Si  Si80  1  0.916492  0.749913  0.250071  1
  Si  Si81  1  0.916509  0.749677  0.583692  1
  Si  Si82  1  0.916466  0.750030  0.916442  1
  Si  Si83  1  0.994251  0.164681  0.168651  1
  Si  Si84  1  0.999898  0.166789  0.500284  1
  Si  Si85  1  0.999602  0.166700  0.832317  1
  Si  Si86  1  0.999578  0.501016  0.166650  1
  Si  Si87  1  0.999701  0.500435  0.500276  1
  Si  Si88  1  0.999991  0.499825  0.833488  1
  Si  Si89  1  0.999960  0.833000  0.166610  1
  Si  Si90  1  0.000040  0.832798  0.500552  1
  Si  Si91  1  0.999702  0.833124  0.832899  1
  Si  Si92  1  0.334857  0.166476  0.166799  1
  Si  Si93  1  0.333691  0.166332  0.500409  1
  Si  Si94  1  0.333956  0.166777  0.832651  1
  Si  Si95  1  0.333927  0.500636  0.166564  1
  Si  Si96  1  0.333440  0.500050  0.500173  1
  Si  Si97  1  0.333498  0.500775  0.832519  1
  Si  Si98  1  0.333698  0.832825  0.166883  1
  Si  Si99  1  0.333489  0.833529  0.499884  1
  Si  Si100  1  0.333530  0.833134  0.833265  1
  Si  Si101  1  0.666449  0.166606  0.166732  1
  Si  Si102  1  0.666538  0.166619  0.500138  1
  Si  Si103  1  0.666512  0.166770  0.833105  1
  Si  Si104  1  0.666504  0.500280  0.166608  1
  Si  Si105  1  0.666532  0.500169  0.500110  1
  Si  Si106  1  0.666624  0.500179  0.833136  1
  Si  Si107  1  0.666543  0.833109  0.166744  1
  Si  Si108  1  0.666639  0.833264  0.500199  1
  Si  Si109  1  0.666727  0.833224  0.833183  1
  Si  Si110  1  0.081351  0.251929  0.255777  1
  Si  Si111  1  0.083196  0.250125  0.583496  1
  Si  Si112  1  0.083207  0.250127  0.915140  1
  Si  Si113  1  0.083379  0.583689  0.250054  1
  Si  Si114  1  0.083245  0.583561  0.583458  1
  Si  Si115  1  0.083049  0.583792  0.916310  1
  Si  Si116  1  0.083356  0.915642  0.250436  1
  Si  Si117  1  0.083284  0.916412  0.583556  1
  Si  Si118  1  0.083414  0.916056  0.916071  1
  Si  Si119  1  0.417655  0.249954  0.250382  1
  Si  Si120  1  0.416895  0.249968  0.583445  1
  Si  Si121  1  0.417320  0.249922  0.916027  1
  Si  Si122  1  0.417082  0.583629  0.250279  1
  Si  Si123  1  0.416702  0.583517  0.583335  1
  Si  Si124  1  0.416665  0.583589  0.916453  1
  Si  Si125  1  0.416414  0.916805  0.250032  1
  Si  Si126  1  0.416844  0.916490  0.583386  1
  Si  Si127  1  0.417517  0.915898  0.916419  1
  Si  Si128  1  0.749622  0.249965  0.250012  1
  Si  Si129  1  0.749700  0.250058  0.583420  1
  Si  Si130  1  0.749545  0.250360  0.916305  1
  Si  Si131  1  0.749445  0.583854  0.249985  1
  Si  Si132  1  0.749798  0.583476  0.583368  1
  Si  Si133  1  0.750193  0.583146  0.916440  1
  Si  Si134  1  0.749716  0.916193  0.250298  1
  Si  Si135  1  0.749885  0.916581  0.583449  1
  Si  Si136  1  0.749772  0.916623  0.916586  1
  Si  Si137  1  0.166818  0.998441  0.166819  1
  Si  Si138  1  0.166917  0.999580  0.500480  1
  Si  Si139  1  0.166563  0.999411  0.832681  1
  Si  Si140  1  0.168617  0.339050  0.168649  1
  Si  Si141  1  0.166540  0.333399  0.500268  1
  Si  Si142  1  0.166660  0.333706  0.832306  1
  Si  Si143  1  0.166756  0.666829  0.166743  1
  Si  Si144  1  0.166695  0.666739  0.500241  1
  Si  Si145  1  0.166630  0.666851  0.833119  1
  Si  Si146  1  0.500427  0.999571  0.166952  1
  Si  Si147  1  0.499784  0.999813  0.499805  1
  Si  Si148  1  0.500300  0.999893  0.833295  1
  Si  Si149  1  0.500267  0.333398  0.166567  1
  Si  Si150  1  0.500492  0.333268  0.500474  1
  Si  Si151  1  0.500239  0.333641  0.832830  1
  Si  Si152  1  0.500194  0.666762  0.166708  1
  Si  Si153  1  0.500082  0.666780  0.500201  1
  Si  Si154  1  0.500127  0.666683  0.833168  1
  Si  Si155  1  0.832682  0.999366  0.166583  1
  Si  Si156  1  0.833291  0.999882  0.500250  1
  Si  Si157  1  0.832505  0.999859  0.832619  1
  Si  Si158  1  0.832306  0.333771  0.166629  1
  Si  Si159  1  0.832806  0.333616  0.500248  1
  Si  Si160  1  0.833487  0.333427  0.833496  1
  Si  Si161  1  0.833084  0.666816  0.166698  1
  Si  Si162  1  0.833158  0.666731  0.500158  1
  Si  Si163  1  0.833250  0.666652  0.833179  1
  Si  Si164  1  0.081392  0.077552  0.081413  1
  Si  Si165  1  0.083310  0.082912  0.417691  1
  Si  Si166  1  0.083436  0.083326  0.749644  1
  Si  Si167  1  0.083201  0.418200  0.083204  1
  Si  Si168  1  0.083373  0.417266  0.417282  1
  Si  Si169  1  0.083040  0.417013  0.749524  1
  Si  Si170  1  0.083275  0.749798  0.083233  1
  Si  Si171  1  0.083325  0.749800  0.416948  1
  Si  Si172  1  0.083208  0.749894  0.749798  1
  Si  Si173  1  0.417684  0.082902  0.083318  1
  Si  Si174  1  0.416469  0.083223  0.416445  1
  Si  Si175  1  0.417136  0.083051  0.749703  1
  Si  Si176  1  0.417285  0.417276  0.083391  1
  Si  Si177  1  0.417417  0.416842  0.417425  1
  Si  Si178  1  0.416621  0.416820  0.749685  1
  Si  Si179  1  0.416951  0.749820  0.083272  1
  Si  Si180  1  0.416785  0.750019  0.416896  1
  Si  Si181  1  0.416847  0.749948  0.749881  1
  Si  Si182  1  0.749665  0.083289  0.083450  1
  Si  Si183  1  0.749701  0.083043  0.417076  1
  Si  Si184  1  0.749480  0.083447  0.749533  1
  Si  Si185  1  0.749540  0.417091  0.082999  1
  Si  Si186  1  0.749674  0.416861  0.416681  1
  Si  Si187  1  0.750184  0.416859  0.750195  1
  Si  Si188  1  0.749737  0.749859  0.083321  1
  Si  Si189  1  0.749830  0.749974  0.416881  1
  Si  Si190  1  0.750026  0.750020  0.749845  1
  Si  Si191  1  0.168642  0.164671  0.994268  1
  Si  Si192  1  0.166770  0.166490  0.334868  1
  Si  Si193  1  0.166741  0.166607  0.666427  1
  Si  Si194  1  0.166673  0.500999  0.999604  1
  Si  Si195  1  0.166522  0.500636  0.333922  1
  Si  Si196  1  0.166616  0.500230  0.666502  1
  Si  Si197  1  0.166593  0.833042  0.999935  1
  Si  Si198  1  0.166967  0.832828  0.333734  1
  Si  Si199  1  0.166672  0.833124  0.666610  1
  Si  Si200  1  0.500328  0.166755  0.999935  1
  Si  Si201  1  0.500451  0.166347  0.333680  1
  Si  Si202  1  0.500191  0.166623  0.666534  1
  Si  Si203  1  0.500236  0.500476  0.999697  1
  Si  Si204  1  0.500183  0.500063  0.333497  1
  Si  Si205  1  0.500005  0.500165  0.666548  1
  Si  Si206  1  0.500562  0.832802  0.999970  1
  Si  Si207  1  0.499743  0.833512  0.333514  1
  Si  Si208  1  0.500147  0.833279  0.666729  1
  Si  Si209  1  0.832310  0.166717  0.999621  1
  Si  Si210  1  0.832630  0.166776  0.333890  1
  Si  Si211  1  0.833062  0.166750  0.666539  1
  Si  Si212  1  0.833501  0.499887  0.999924  1
  Si  Si213  1  0.832514  0.500819  0.333569  1
  Si  Si214  1  0.833146  0.500155  0.666637  1
  Si  Si215  1  0.832894  0.833009  0.999780  1
  Si  Si216  1  0.833267  0.833109  0.333546  1
  Si  Si217  1  0.833295  0.833320  0.666645  1
