# 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  0.125137  0.208188  0.125099  1
  Si  Si2  1  0.255839  0.251925  0.081397  1
  Si  Si3  1  0.250392  0.249973  0.417724  1
  Si  Si4  1  0.250076  0.249858  0.749663  1
  Si  Si5  1  0.250068  0.583689  0.083476  1
  Si  Si6  1  0.250340  0.583569  0.417125  1
  Si  Si7  1  0.249999  0.583817  0.749511  1
  Si  Si8  1  0.250399  0.915633  0.083351  1
  Si  Si9  1  0.250054  0.916925  0.416509  1
  Si  Si10  1  0.250333  0.916180  0.749756  1
  Si  Si11  1  0.583550  0.250098  0.083283  1
  Si  Si12  1  0.583546  0.249956  0.416952  1
  Si  Si13  1  0.583492  0.249907  0.749802  1
  Si  Si14  1  0.583498  0.583517  0.083322  1
  Si  Si15  1  0.583370  0.583420  0.416883  1
  Si  Si16  1  0.583504  0.583305  0.750073  1
  Si  Si17  1  0.583517  0.916381  0.083409  1
  Si  Si18  1  0.583329  0.916460  0.416818  1
  Si  Si19  1  0.583495  0.916481  0.749964  1
  Si  Si20  1  0.915155  0.250112  0.083197  1
  Si  Si21  1  0.916114  0.249848  0.417288  1
  Si  Si22  1  0.916369  0.250197  0.749527  1
  Si  Si23  1  0.916357  0.583746  0.083079  1
  Si  Si24  1  0.916525  0.583595  0.416724  1
  Si  Si25  1  0.916636  0.582992  0.750232  1
  Si  Si26  1  0.916114  0.915996  0.083462  1
  Si  Si27  1  0.916500  0.915787  0.417455  1
  Si  Si28  1  0.916532  0.916553  0.749755  1
  Si  Si29  1  0.996841  0.998504  0.996807  1
  Si  Si30  1  0.000798  0.998535  0.334770  1
  Si  Si31  1  0.999951  0.999848  0.666531  1
  Si  Si32  1  0.000751  0.332578  0.000732  1
  Si  Si33  1  0.996860  0.336493  0.334779  1
  Si  Si34  1  0.999747  0.333580  0.666395  1
  Si  Si35  1  0.999779  0.666869  0.999766  1
  Si  Si36  1  0.999976  0.666809  0.333448  1
  Si  Si37  1  0.999879  0.666382  0.666887  1
  Si  Si38  1  0.334789  0.998563  0.000828  1
  Si  Si39  1  0.332806  0.000586  0.332834  1
  Si  Si40  1  0.333539  0.999821  0.666694  1
  Si  Si41  1  0.334833  0.336504  0.996829  1
  Si  Si42  1  0.334746  0.332529  0.334790  1
  Si  Si43  1  0.333457  0.333382  0.666560  1
  Si  Si44  1  0.333402  0.666850  0.999981  1
  Si  Si45  1  0.333541  0.666694  0.333532  1
  Si  Si46  1  0.333441  0.667020  0.666343  1
  Si  Si47  1  0.666553  0.999852  0.000018  1
  Si  Si48  1  0.666695  0.999765  0.333509  1
  Si  Si49  1  0.666367  0.999864  0.666311  1
  Si  Si50  1  0.666413  0.333569  0.999740  1
  Si  Si51  1  0.666522  0.333401  0.333441  1
  Si  Si52  1  0.666964  0.333396  0.666919  1
  Si  Si53  1  0.666965  0.666366  0.999836  1
  Si  Si54  1  0.666260  0.666970  0.333401  1
  Si  Si55  1  0.666645  0.666669  0.666693  1
  Si  Si56  1  0.249216  0.084123  0.249239  1
  Si  Si57  1  0.250227  0.083077  0.583627  1
  Si  Si58  1  0.253139  0.080185  0.915196  1
  Si  Si59  1  0.253124  0.418131  0.253120  1
  Si  Si60  1  0.250081  0.416768  0.583495  1
  Si  Si61  1  0.249170  0.418127  0.915218  1
  Si  Si62  1  0.250255  0.749795  0.250280  1
  Si  Si63  1  0.250219  0.750263  0.583068  1
  Si  Si64  1  0.249999  0.749833  0.916547  1
  Si  Si65  1  0.583589  0.083086  0.250288  1
  Si  Si66  1  0.583111  0.083110  0.583068  1
  Si  Si67  1  0.583521  0.083231  0.916630  1
  Si  Si68  1  0.583467  0.416815  0.250069  1
  Si  Si69  1  0.583709  0.416674  0.583747  1
  Si  Si70  1  0.583309  0.416835  0.916442  1
  Si  Si71  1  0.583041  0.750260  0.250174  1
  Si  Si72  1  0.583416  0.749895  0.583509  1
  Si  Si73  1  0.583734  0.749625  0.916652  1
  Si  Si74  1  0.915216  0.080186  0.253108  1
  Si  Si75  1  0.916561  0.083191  0.583445  1
  Si  Si76  1  0.915200  0.084133  0.915207  1
  Si  Si77  1  0.915211  0.418118  0.249167  1
  Si  Si78  1  0.916490  0.416867  0.583250  1
  Si  Si79  1  0.917158  0.416124  0.917138  1
  Si  Si80  1  0.916554  0.749805  0.250041  1
  Si  Si81  1  0.916581  0.749573  0.583684  1
  Si  Si82  1  0.916487  0.749932  0.916450  1
  Si  Si83  1  0.994266  0.164725  0.168563  1
  Si  Si84  1  0.999908  0.166761  0.500294  1
  Si  Si85  1  0.999600  0.166659  0.832292  1
  Si  Si86  1  0.999620  0.501036  0.166662  1
  Si  Si87  1  0.999732  0.500508  0.500209  1
  Si  Si88  1  0.999997  0.499763  0.833490  1
  Si  Si89  1  0.999924  0.833015  0.166557  1
  Si  Si90  1  0.000024  0.832777  0.500494  1
  Si  Si91  1  0.999709  0.833038  0.832830  1
  Si  Si92  1  0.334860  0.166555  0.166801  1
  Si  Si93  1  0.333633  0.166436  0.500503  1
  Si  Si94  1  0.333913  0.166801  0.832673  1
  Si  Si95  1  0.333896  0.500678  0.166529  1
  Si  Si96  1  0.333482  0.500056  0.500237  1
  Si  Si97  1  0.333541  0.500821  0.832533  1
  Si  Si98  1  0.333657  0.832919  0.166927  1
  Si  Si99  1  0.333455  0.833622  0.499762  1
  Si  Si100  1  0.333459  0.833088  0.833309  1
  Si  Si101  1  0.666435  0.166634  0.166740  1
  Si  Si102  1  0.666582  0.166597  0.500158  1
  Si  Si103  1  0.666510  0.166636  0.833109  1
  Si  Si104  1  0.666513  0.500231  0.166627  1
  Si  Si105  1  0.666555  0.500109  0.500135  1
  Si  Si106  1  0.666782  0.500020  0.833213  1
  Si  Si107  1  0.666549  0.833113  0.166676  1
  Si  Si108  1  0.666593  0.833210  0.500069  1
  Si  Si109  1  0.666648  0.833157  0.833231  1
  Si  Si110  1  0.081419  0.251911  0.255779  1
  Si  Si111  1  0.083239  0.250057  0.583550  1
  Si  Si112  1  0.083208  0.250111  0.915137  1
  Si  Si113  1  0.083475  0.583681  0.250084  1
  Si  Si114  1  0.083405  0.583516  0.583452  1
  Si  Si115  1  0.083067  0.583741  0.916328  1
  Si  Si116  1  0.083357  0.915623  0.250413  1
  Si  Si117  1  0.083360  0.916343  0.583525  1
  Si  Si118  1  0.083452  0.915980  0.916058  1
  Si  Si119  1  0.417702  0.249987  0.250445  1
  Si  Si120  1  0.416948  0.249940  0.583571  1
  Si  Si121  1  0.417349  0.249854  0.916093  1
  Si  Si122  1  0.417130  0.583591  0.250296  1
  Si  Si123  1  0.416865  0.583410  0.583469  1
  Si  Si124  1  0.416687  0.583616  0.916571  1
  Si  Si125  1  0.416449  0.916918  0.250042  1
  Si  Si126  1  0.416862  0.916517  0.583346  1
  Si  Si127  1  0.417485  0.915828  0.916525  1
  Si  Si128  1  0.749666  0.249888  0.250097  1
  Si  Si129  1  0.749861  0.249903  0.583465  1
  Si  Si130  1  0.749540  0.250210  0.916350  1
  Si  Si131  1  0.749492  0.583801  0.249983  1
  Si  Si132  1  0.749906  0.583306  0.583464  1
  Si  Si133  1  0.750299  0.582964  0.916605  1
  Si  Si134  1  0.749767  0.916156  0.250287  1
  Si  Si135  1  0.749933  0.916406  0.583415  1
  Si  Si136  1  0.749768  0.916545  0.916604  1
  Si  Si137  1  0.166788  0.998487  0.166800  1
  Si  Si138  1  0.166896  0.999669  0.500483  1
  Si  Si139  1  0.166532  0.999411  0.832640  1
  Si  Si140  1  0.168603  0.339082  0.168564  1
  Si  Si141  1  0.166540  0.333414  0.500315  1
  Si  Si142  1  0.166661  0.333731  0.832287  1
  Si  Si143  1  0.166737  0.666917  0.166743  1
  Si  Si144  1  0.166737  0.666780  0.500168  1
  Si  Si145  1  0.166622  0.666794  0.833075  1
  Si  Si146  1  0.500452  0.999690  0.166932  1
  Si  Si147  1  0.499766  0.999883  0.499725  1
  Si  Si148  1  0.500254  0.999857  0.833320  1
  Si  Si149  1  0.500288  0.333435  0.166572  1
  Si  Si150  1  0.500503  0.333266  0.500526  1
  Si  Si151  1  0.500263  0.333581  0.832830  1
  Si  Si152  1  0.500180  0.666770  0.166664  1
  Si  Si153  1  0.500053  0.666740  0.500113  1
  Si  Si154  1  0.500159  0.666721  0.833247  1
  Si  Si155  1  0.832674  0.999401  0.166525  1
  Si  Si156  1  0.833291  0.999795  0.500199  1
  Si  Si157  1  0.832508  0.999749  0.832530  1
  Si  Si158  1  0.832300  0.333721  0.166651  1
  Si  Si159  1  0.832875  0.333582  0.500215  1
  Si  Si160  1  0.833537  0.333243  0.833517  1
  Si  Si161  1  0.833098  0.666769  0.166650  1
  Si  Si162  1  0.833131  0.666687  0.500128  1
  Si  Si163  1  0.833249  0.666496  0.833215  1
  Si  Si164  1  0.081417  0.077504  0.081384  1
  Si  Si165  1  0.083347  0.082901  0.417703  1
  Si  Si166  1  0.083443  0.083225  0.749659  1
  Si  Si167  1  0.083214  0.418177  0.083201  1
  Si  Si168  1  0.083481  0.417249  0.417313  1
  Si  Si169  1  0.083094  0.416961  0.749534  1
  Si  Si170  1  0.083267  0.749760  0.083269  1
  Si  Si171  1  0.083416  0.749814  0.416937  1
  Si  Si172  1  0.083358  0.749831  0.749780  1
  Si  Si173  1  0.417711  0.082938  0.083371  1
  Si  Si174  1  0.416455  0.083345  0.416530  1
  Si  Si175  1  0.417156  0.083010  0.749797  1
  Si  Si176  1  0.417337  0.417265  0.083462  1
  Si  Si177  1  0.417478  0.416816  0.417505  1
  Si  Si178  1  0.416751  0.416797  0.749783  1
  Si  Si179  1  0.416936  0.749821  0.083398  1
  Si  Si180  1  0.416840  0.750039  0.416863  1
  Si  Si181  1  0.416880  0.749900  0.749950  1
  Si  Si182  1  0.749666  0.083243  0.083507  1
  Si  Si183  1  0.749785  0.082975  0.417114  1
  Si  Si184  1  0.749522  0.083304  0.749508  1
  Si  Si185  1  0.749554  0.416955  0.083081  1
  Si  Si186  1  0.749755  0.416797  0.416742  1
  Si  Si187  1  0.750346  0.416653  0.750265  1
  Si  Si188  1  0.749831  0.749791  0.083360  1
  Si  Si189  1  0.749857  0.749849  0.416812  1
  Si  Si190  1  0.750020  0.749805  0.750036  1
  Si  Si191  1  0.168611  0.164741  0.994215  1
  Si  Si192  1  0.166779  0.166550  0.334863  1
  Si  Si193  1  0.166692  0.166612  0.666448  1
  Si  Si194  1  0.166649  0.501057  0.999606  1
  Si  Si195  1  0.166550  0.500678  0.333894  1
  Si  Si196  1  0.166661  0.500228  0.666508  1
  Si  Si197  1  0.166525  0.833030  0.999917  1
  Si  Si198  1  0.166949  0.832953  0.333698  1
  Si  Si199  1  0.166714  0.833134  0.666544  1
  Si  Si200  1  0.500319  0.166780  0.999940  1
  Si  Si201  1  0.500432  0.166415  0.333711  1
  Si  Si202  1  0.500194  0.166575  0.666540  1
  Si  Si203  1  0.500247  0.500490  0.999680  1
  Si  Si204  1  0.500191  0.500063  0.333477  1
  Si  Si205  1  0.500171  0.500136  0.666655  1
  Si  Si206  1  0.500513  0.832828  0.000067  1
  Si  Si207  1  0.499710  0.833609  0.333428  1
  Si  Si208  1  0.500073  0.833308  0.666669  1
  Si  Si209  1  0.832279  0.166658  0.999603  1
  Si  Si210  1  0.832675  0.166786  0.333878  1
  Si  Si211  1  0.833130  0.166608  0.666496  1
  Si  Si212  1  0.833537  0.499767  0.000003  1
  Si  Si213  1  0.832515  0.500818  0.333531  1
  Si  Si214  1  0.833212  0.500067  0.666684  1
  Si  Si215  1  0.832897  0.833024  0.999732  1
  Si  Si216  1  0.833266  0.833061  0.333445  1
  Si  Si217  1  0.833197  0.833138  0.666631  1
