# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19552157
_cell_length_b   12.97556906
_cell_length_c   46.30846239
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5635.34992536
_cell_formula_units_Z   216
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  0.305786  0.142536  0.290703  1
  Cu  Cu2  1  0.803546  0.143532  0.290775  1
  Cu  Cu3  1  0.169036  0.411508  0.325311  1
  Cu  Cu4  1  0.238653  0.775198  0.306820  1
  Cu  Cu5  1  0.873937  0.507618  0.277022  1
  Cu  Cu6  1  0.740006  0.772587  0.306130  1
  Cu  Cu7  1  0.585711  0.330980  0.284227  1
  Cu  Cu8  1  0.088949  0.324472  0.282924  1
  Cu  Cu9  1  0.456589  0.589207  0.313722  1
  Cu  Cu10  1  0.522413  0.958683  0.298758  1
  Cu  Cu11  1  0.953959  0.594483  0.317303  1
  Cu  Cu12  1  0.021215  0.958668  0.298765  1
  Cu  Cu13  1  0.337990  0.327838  0.283488  1
  Cu  Cu14  1  0.836591  0.327772  0.283490  1
  Cu  Cu15  1  0.207282  0.592684  0.315867  1
  Cu  Cu16  1  0.271633  0.959043  0.298772  1
  Cu  Cu17  1  0.702437  0.592670  0.315853  1
  Cu  Cu18  1  0.771939  0.958421  0.298743  1
  Cu  Cu19  1  0.555225  0.143556  0.290770  1
  Cu  Cu20  1  0.054013  0.142512  0.290708  1
  Cu  Cu21  1  0.418340  0.412514  0.324966  1
  Cu  Cu22  1  0.488485  0.775196  0.306818  1
  Cu  Cu23  1  0.120866  0.507647  0.277024  1
  Cu  Cu24  1  0.989754  0.772584  0.306132  1
  Cu  Cu25  1  0.101782  0.048451  0.340571  1
  Cu  Cu26  1  0.602101  0.048632  0.340535  1
  Cu  Cu27  1  0.965890  0.320801  0.374522  1
  Cu  Cu28  1  0.034496  0.685698  0.357409  1
  Cu  Cu29  1  0.671579  0.412506  0.324965  1
  Cu  Cu30  1  0.532570  0.684862  0.356963  1
  Cu  Cu31  1  0.386034  0.230272  0.332725  1
  Cu  Cu32  1  0.886128  0.230257  0.332732  1
  Cu  Cu33  1  0.248959  0.503908  0.366199  1
  Cu  Cu34  1  0.317801  0.866857  0.348659  1
  Cu  Cu35  1  0.749647  0.503905  0.366193  1
  Cu  Cu36  1  0.818308  0.865853  0.348336  1
  Cu  Cu37  1  0.136279  0.229866  0.332630  1
  Cu  Cu38  1  0.635880  0.230668  0.332838  1
  Cu  Cu39  1  0.999352  0.503813  0.366507  1
  Cu  Cu40  1  0.067851  0.866313  0.348499  1
  Cu  Cu41  1  0.499237  0.504034  0.365767  1
  Cu  Cu42  1  0.568295  0.866322  0.348491  1
  Cu  Cu43  1  0.352196  0.048460  0.340565  1
  Cu  Cu44  1  0.851707  0.048623  0.340541  1
  Cu  Cu45  1  0.215839  0.320806  0.374519  1
  Cu  Cu46  1  0.285058  0.684864  0.356970  1
  Cu  Cu47  1  0.921887  0.411499  0.325310  1
  Cu  Cu48  1  0.782290  0.685698  0.357403  1
  Cu  Cu49  1  0.897778  0.956798  0.390403  1
  Cu  Cu50  1  0.397893  0.957012  0.390484  1
  Cu  Cu51  1  0.761378  0.229848  0.424229  1
  Cu  Cu52  1  0.829023  0.594334  0.407707  1
  Cu  Cu53  1  0.465537  0.321421  0.374381  1
  Cu  Cu54  1  0.329376  0.594148  0.407455  1
  Cu  Cu55  1  0.181923  0.138692  0.382431  1
  Cu  Cu56  1  0.681794  0.138965  0.382439  1
  Cu  Cu57  1  0.045372  0.411897  0.416145  1
  Cu  Cu58  1  0.113935  0.775594  0.398875  1
  Cu  Cu59  1  0.545208  0.412198  0.415914  1
  Cu  Cu60  1  0.613050  0.775603  0.398861  1
  Cu  Cu61  1  0.931695  0.138829  0.382440  1
  Cu  Cu62  1  0.432017  0.138841  0.382430  1
  Cu  Cu63  1  0.795326  0.412023  0.416042  1
  Cu  Cu64  1  0.863480  0.775630  0.398893  1
  Cu  Cu65  1  0.295274  0.412032  0.416044  1
  Cu  Cu66  1  0.363496  0.775585  0.398842  1
  Cu  Cu67  1  0.147660  0.957001  0.390493  1
  Cu  Cu68  1  0.647992  0.956808  0.390394  1
  Cu  Cu69  1  0.011496  0.229612  0.424282  1
  Cu  Cu70  1  0.079255  0.594336  0.407716  1
  Cu  Cu71  1  0.715574  0.321416  0.374384  1
  Cu  Cu72  1  0.579073  0.594145  0.407446  1
  Cu  Cu73  1  0.693245  0.866111  0.440653  1
  Cu  Cu74  1  0.193310  0.866137  0.440699  1
  Cu  Cu75  1  0.557096  0.138655  0.474207  1
  Cu  Cu76  1  0.624997  0.502644  0.457585  1
  Cu  Cu77  1  0.261530  0.229620  0.424274  1
  Cu  Cu78  1  0.125083  0.502630  0.457697  1
  Cu  Cu79  1  0.977374  0.047714  0.432389  1
  Cu  Cu80  1  0.477567  0.047736  0.432370  1
  Cu  Cu81  1  0.841089  0.320551  0.465989  1
  Cu  Cu82  1  0.909042  0.684639  0.449236  1
  Cu  Cu83  1  0.341098  0.320563  0.465980  1
  Cu  Cu84  1  0.409077  0.684524  0.449125  1
  Cu  Cu85  1  0.727478  0.047730  0.432353  1
  Cu  Cu86  1  0.227464  0.047716  0.432404  1
  Cu  Cu87  1  0.591042  0.320642  0.465940  1
  Cu  Cu88  1  0.658908  0.684580  0.449166  1
  Cu  Cu89  1  0.091140  0.320483  0.466022  1
  Cu  Cu90  1  0.159215  0.684573  0.449194  1
  Cu  Cu91  1  0.943347  0.866091  0.440670  1
  Cu  Cu92  1  0.443212  0.866157  0.440683  1
  Cu  Cu93  1  0.807046  0.138637  0.474226  1
  Cu  Cu94  1  0.875046  0.502619  0.457685  1
  Cu  Cu95  1  0.511421  0.229856  0.424221  1
  Cu  Cu96  1  0.375047  0.502656  0.457597  1
  Cu  Cu97  1  0.488815  0.775075  0.490828  1
  Cu  Cu98  1  0.988916  0.775062  0.490877  1
  Cu  Cu99  1  0.352579  0.047689  0.524302  1
  Cu  Cu100  1  0.420775  0.411234  0.507672  1
  Cu  Cu101  1  0.057056  0.138568  0.474256  1
  Cu  Cu102  1  0.920864  0.411178  0.507702  1
  Cu  Cu103  1  0.772989  0.956833  0.482473  1
  Cu  Cu104  1  0.272954  0.956840  0.482508  1
  Cu  Cu105  1  0.636712  0.229471  0.516031  1
  Cu  Cu106  1  0.704808  0.593127  0.499240  1
  Cu  Cu107  1  0.136710  0.229407  0.516066  1
  Cu  Cu108  1  0.204876  0.593146  0.499300  1
  Cu  Cu109  1  0.522973  0.956868  0.482474  1
  Cu  Cu110  1  0.022971  0.956803  0.482509  1
  Cu  Cu111  1  0.386729  0.229435  0.516032  1
  Cu  Cu112  1  0.454807  0.593129  0.499240  1
  Cu  Cu113  1  0.886694  0.229441  0.516067  1
  Cu  Cu114  1  0.954875  0.593148  0.499300  1
  Cu  Cu115  1  0.738819  0.775096  0.490838  1
  Cu  Cu116  1  0.238908  0.775040  0.490868  1
  Cu  Cu117  1  0.602626  0.047706  0.524283  1
  Cu  Cu118  1  0.670766  0.411213  0.507662  1
  Cu  Cu119  1  0.307104  0.138586  0.474238  1
  Cu  Cu120  1  0.170867  0.411200  0.507712  1
  Cu  Cu121  1  0.284636  0.683619  0.540942  1
  Cu  Cu122  1  0.784637  0.683656  0.540855  1
  Cu  Cu123  1  0.148261  0.956419  0.574319  1
  Cu  Cu124  1  0.216470  0.320117  0.557857  1
  Cu  Cu125  1  0.852637  0.047637  0.524314  1
  Cu  Cu126  1  0.716336  0.320183  0.557870  1
  Cu  Cu127  1  0.568543  0.865792  0.532518  1
  Cu  Cu128  1  0.068641  0.865632  0.532600  1
  Cu  Cu129  1  0.432218  0.138559  0.566136  1
  Cu  Cu130  1  0.500468  0.501702  0.549346  1
  Cu  Cu131  1  0.932205  0.138545  0.566187  1
  Cu  Cu132  1  0.000774  0.501695  0.549374  1
  Cu  Cu133  1  0.318584  0.865711  0.532560  1
  Cu  Cu134  1  0.818593  0.865724  0.532551  1
  Cu  Cu135  1  0.182116  0.138538  0.566170  1
  Cu  Cu136  1  0.250606  0.501751  0.549415  1
  Cu  Cu137  1  0.682309  0.138561  0.566151  1
  Cu  Cu138  1  0.750641  0.501636  0.549304  1
  Cu  Cu139  1  0.534600  0.683644  0.540842  1
  Cu  Cu140  1  0.034685  0.683631  0.540955  1
  Cu  Cu141  1  0.398152  0.956654  0.574266  1
  Cu  Cu142  1  0.466372  0.320137  0.557841  1
  Cu  Cu143  1  0.102586  0.047619  0.524333  1
  Cu  Cu144  1  0.966438  0.320163  0.557886  1
  Cu  Cu145  1  0.080609  0.592129  0.591094  1
  Cu  Cu146  1  0.580428  0.591938  0.590824  1
  Cu  Cu147  1  0.944108  0.864858  0.624156  1
  Cu  Cu148  1  0.011691  0.229466  0.608146  1
  Cu  Cu149  1  0.648186  0.956662  0.574258  1
  Cu  Cu150  1  0.512023  0.229273  0.608047  1
  Cu  Cu151  1  0.364409  0.774243  0.582496  1
  Cu  Cu152  1  0.864357  0.774252  0.582498  1
  Cu  Cu153  1  0.227666  0.047434  0.616110  1
  Cu  Cu154  1  0.296187  0.410689  0.599698  1
  Cu  Cu155  1  0.727988  0.047446  0.616100  1
  Cu  Cu156  1  0.796203  0.410644  0.599647  1
  Cu  Cu157  1  0.114475  0.774077  0.582626  1
  Cu  Cu158  1  0.614310  0.774378  0.582395  1
  Cu  Cu159  1  0.977889  0.047310  0.616101  1
  Cu  Cu160  1  0.046633  0.410672  0.599678  1
  Cu  Cu161  1  0.477759  0.047582  0.616109  1
  Cu  Cu162  1  0.545748  0.410681  0.599665  1
  Cu  Cu163  1  0.330307  0.592127  0.591085  1
  Cu  Cu164  1  0.830660  0.591941  0.590832  1
  Cu  Cu165  1  0.194145  0.864854  0.624159  1
  Cu  Cu166  1  0.261790  0.229263  0.608056  1
  Cu  Cu167  1  0.898305  0.956427  0.574311  1
  Cu  Cu168  1  0.761904  0.229477  0.608137  1
  Cu  Cu169  1  0.877393  0.500577  0.641137  1
  Cu  Cu170  1  0.374625  0.501410  0.641569  1
  Cu  Cu171  1  0.737796  0.774776  0.673230  1
  Cu  Cu172  1  0.807976  0.137651  0.657999  1
  Cu  Cu173  1  0.443843  0.865469  0.624021  1
  Cu  Cu174  1  0.307487  0.137815  0.657974  1
  Cu  Cu175  1  0.160446  0.682241  0.632773  1
  Cu  Cu176  1  0.660331  0.682461  0.632032  1
  Cu  Cu177  1  0.023802  0.955607  0.665702  1
  Cu  Cu178  1  0.091388  0.319953  0.650049  1
  Cu  Cu179  1  0.523403  0.956409  0.665910  1
  Cu  Cu180  1  0.591832  0.319962  0.650041  1
  Cu  Cu181  1  0.910036  0.682370  0.632347  1
  Cu  Cu182  1  0.410724  0.682367  0.632341  1
  Cu  Cu183  1  0.773554  0.956018  0.665808  1
  Cu  Cu184  1  0.841375  0.320421  0.650204  1
  Cu  Cu185  1  0.273649  0.956003  0.665814  1
  Cu  Cu186  1  0.341882  0.319418  0.649881  1
  Cu  Cu187  1  0.127113  0.501413  0.641577  1
  Cu  Cu188  1  0.625186  0.500577  0.641131  1
  Cu  Cu189  1  0.988103  0.773769  0.673575  1
  Cu  Cu190  1  0.057582  0.137642  0.658005  1
  Cu  Cu191  1  0.693793  0.865474  0.624018  1
  Cu  Cu192  1  0.557901  0.137824  0.657969  1
  Cu  Cu193  1  0.669929  0.413690  0.692408  1
  Cu  Cu194  1  0.171197  0.411079  0.691722  1
  Cu  Cu195  1  0.538817  0.678628  0.721516  1
  Cu  Cu196  1  0.605669  0.043763  0.707832  1
  Cu  Cu197  1  0.241342  0.773761  0.673574  1
  Cu  Cu198  1  0.104457  0.042718  0.707770  1
  Cu  Cu199  1  0.957246  0.593604  0.682687  1
  Cu  Cu200  1  0.452400  0.593590  0.682673  1
  Cu  Cu201  1  0.823092  0.858503  0.715050  1
  Cu  Cu202  1  0.887744  0.227853  0.699797  1
  Cu  Cu203  1  0.321692  0.858437  0.715052  1
  Cu  Cu204  1  0.388050  0.227231  0.699768  1
  Cu  Cu205  1  0.705723  0.591792  0.681237  1
  Cu  Cu206  1  0.203094  0.597068  0.684818  1
  Cu  Cu207  1  0.570733  0.861803  0.715615  1
  Cu  Cu208  1  0.638468  0.227606  0.699775  1
  Cu  Cu209  1  0.073971  0.855295  0.714313  1
  Cu  Cu210  1  0.137270  0.227592  0.699782  1
  Cu  Cu211  1  0.919677  0.413688  0.692410  1
  Cu  Cu212  1  0.421030  0.411077  0.691720  1
  Cu  Cu213  1  0.785746  0.678657  0.721518  1
  Cu  Cu214  1  0.856137  0.042743  0.707765  1
  Cu  Cu215  1  0.490646  0.774767  0.673229  1
  Cu  Cu216  1  0.353897  0.043739  0.707837  1
