# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.10449467
_cell_length_b   11.36111233
_cell_length_c   46.79120084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.26322907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5688.08285905
_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  0.398942  0.231175  0.288077  1
  Cu  Cu2  1  0.065609  0.231175  0.288077  1
  Cu  Cu3  1  0.994824  0.755453  0.277149  1
  Cu  Cu4  1  0.732276  0.231175  0.288077  1
  Cu  Cu5  1  0.661491  0.755453  0.277149  1
  Cu  Cu6  1  0.328157  0.755453  0.277149  1
  Cu  Cu7  1  0.214276  0.965834  0.292758  1
  Cu  Cu8  1  0.880943  0.965834  0.292758  1
  Cu  Cu9  1  0.807942  0.493728  0.282238  1
  Cu  Cu10  1  0.547609  0.965834  0.292758  1
  Cu  Cu11  1  0.474608  0.493728  0.282238  1
  Cu  Cu12  1  0.141275  0.493728  0.282238  1
  Cu  Cu13  1  0.202489  0.173397  0.310616  1
  Cu  Cu14  1  0.869155  0.173397  0.310616  1
  Cu  Cu15  1  0.799076  0.700014  0.299623  1
  Cu  Cu16  1  0.535822  0.173397  0.310616  1
  Cu  Cu17  1  0.465743  0.700014  0.299623  1
  Cu  Cu18  1  0.132409  0.700014  0.299623  1
  Cu  Cu19  1  0.018969  0.912875  0.317503  1
  Cu  Cu20  1  0.685635  0.912875  0.317503  1
  Cu  Cu21  1  0.614327  0.438186  0.305075  1
  Cu  Cu22  1  0.352302  0.912875  0.317503  1
  Cu  Cu23  1  0.280993  0.438186  0.305075  1
  Cu  Cu24  1  0.947660  0.438186  0.305075  1
  Cu  Cu25  1  0.008023  0.118641  0.336989  1
  Cu  Cu26  1  0.674690  0.118641  0.336989  1
  Cu  Cu27  1  0.604917  0.644649  0.325424  1
  Cu  Cu28  1  0.341357  0.118641  0.336989  1
  Cu  Cu29  1  0.271583  0.644649  0.325424  1
  Cu  Cu30  1  0.938250  0.644649  0.325424  1
  Cu  Cu31  1  0.822813  0.855204  0.342576  1
  Cu  Cu32  1  0.489480  0.855204  0.342576  1
  Cu  Cu33  1  0.418409  0.381403  0.331087  1
  Cu  Cu34  1  0.156147  0.855204  0.342576  1
  Cu  Cu35  1  0.085076  0.381403  0.331087  1
  Cu  Cu36  1  0.751742  0.381403  0.331087  1
  Cu  Cu37  1  0.814659  0.064667  0.361369  1
  Cu  Cu38  1  0.481326  0.064667  0.361369  1
  Cu  Cu39  1  0.410872  0.590241  0.349351  1
  Cu  Cu40  1  0.147992  0.064667  0.361369  1
  Cu  Cu41  1  0.077539  0.590241  0.349351  1
  Cu  Cu42  1  0.744205  0.590241  0.349351  1
  Cu  Cu43  1  0.628715  0.801270  0.367672  1
  Cu  Cu44  1  0.295382  0.801270  0.367672  1
  Cu  Cu45  1  0.224559  0.326867  0.355082  1
  Cu  Cu46  1  0.962048  0.801270  0.367672  1
  Cu  Cu47  1  0.891225  0.326867  0.355082  1
  Cu  Cu48  1  0.557892  0.326867  0.355082  1
  Cu  Cu49  1  0.619595  0.008465  0.386743  1
  Cu  Cu50  1  0.286262  0.008465  0.386743  1
  Cu  Cu51  1  0.216604  0.535355  0.374730  1
  Cu  Cu52  1  0.952929  0.008465  0.386743  1
  Cu  Cu53  1  0.883271  0.535355  0.374730  1
  Cu  Cu54  1  0.549938  0.535355  0.374730  1
  Cu  Cu55  1  0.433830  0.745068  0.392827  1
  Cu  Cu56  1  0.100496  0.745068  0.392827  1
  Cu  Cu57  1  0.030435  0.272085  0.380748  1
  Cu  Cu58  1  0.767163  0.745068  0.392827  1
  Cu  Cu59  1  0.697102  0.272085  0.380748  1
  Cu  Cu60  1  0.363769  0.272085  0.380748  1
  Cu  Cu61  1  0.425624  0.953930  0.411721  1
  Cu  Cu62  1  0.092291  0.953930  0.411721  1
  Cu  Cu63  1  0.022199  0.480470  0.399445  1
  Cu  Cu64  1  0.758958  0.953930  0.411721  1
  Cu  Cu65  1  0.688866  0.480470  0.399445  1
  Cu  Cu66  1  0.355533  0.480470  0.399445  1
  Cu  Cu67  1  0.239615  0.690359  0.417993  1
  Cu  Cu68  1  0.906281  0.690359  0.417993  1
  Cu  Cu69  1  0.836263  0.217282  0.405552  1
  Cu  Cu70  1  0.572948  0.690359  0.417993  1
  Cu  Cu71  1  0.502930  0.217282  0.405552  1
  Cu  Cu72  1  0.169597  0.217282  0.405552  1
  Cu  Cu73  1  0.231201  0.898654  0.436912  1
  Cu  Cu74  1  0.897867  0.898654  0.436912  1
  Cu  Cu75  1  0.828121  0.425803  0.424675  1
  Cu  Cu76  1  0.564534  0.898654  0.436912  1
  Cu  Cu77  1  0.494788  0.425803  0.424675  1
  Cu  Cu78  1  0.161454  0.425803  0.424675  1
  Cu  Cu79  1  0.045276  0.635099  0.443109  1
  Cu  Cu80  1  0.711943  0.635099  0.443109  1
  Cu  Cu81  1  0.642007  0.162130  0.430787  1
  Cu  Cu82  1  0.378610  0.635099  0.443109  1
  Cu  Cu83  1  0.308674  0.162130  0.430787  1
  Cu  Cu84  1  0.975340  0.162130  0.430787  1
  Cu  Cu85  1  0.037079  0.843831  0.461984  1
  Cu  Cu86  1  0.703746  0.843831  0.461984  1
  Cu  Cu87  1  0.633903  0.370859  0.449631  1
  Cu  Cu88  1  0.370413  0.843831  0.461984  1
  Cu  Cu89  1  0.300570  0.370859  0.449631  1
  Cu  Cu90  1  0.967236  0.370859  0.449631  1
  Cu  Cu91  1  0.851077  0.580236  0.468239  1
  Cu  Cu92  1  0.517744  0.580236  0.468239  1
  Cu  Cu93  1  0.447879  0.107303  0.455807  1
  Cu  Cu94  1  0.184411  0.580236  0.468239  1
  Cu  Cu95  1  0.114546  0.107303  0.455807  1
  Cu  Cu96  1  0.781213  0.107303  0.455807  1
  Cu  Cu97  1  0.842820  0.788775  0.487124  1
  Cu  Cu98  1  0.509487  0.788775  0.487124  1
  Cu  Cu99  1  0.439699  0.315907  0.474749  1
  Cu  Cu100  1  0.176153  0.788775  0.487124  1
  Cu  Cu101  1  0.106365  0.315907  0.474749  1
  Cu  Cu102  1  0.773032  0.315907  0.474749  1
  Cu  Cu103  1  0.656823  0.525169  0.493339  1
  Cu  Cu104  1  0.323490  0.525169  0.493339  1
  Cu  Cu105  1  0.253652  0.052257  0.480951  1
  Cu  Cu106  1  0.990157  0.525169  0.493339  1
  Cu  Cu107  1  0.920319  0.052257  0.480951  1
  Cu  Cu108  1  0.586986  0.052257  0.480951  1
  Cu  Cu109  1  0.648679  0.733898  0.512200  1
  Cu  Cu110  1  0.315345  0.733898  0.512200  1
  Cu  Cu111  1  0.245508  0.260986  0.499813  1
  Cu  Cu112  1  0.982012  0.733898  0.512200  1
  Cu  Cu113  1  0.912174  0.260986  0.499813  1
  Cu  Cu114  1  0.578841  0.260986  0.499813  1
  Cu  Cu115  1  0.462633  0.470248  0.518403  1
  Cu  Cu116  1  0.129299  0.470248  0.518403  1
  Cu  Cu117  1  0.059511  0.997380  0.506028  1
  Cu  Cu118  1  0.795966  0.470248  0.518403  1
  Cu  Cu119  1  0.726178  0.997380  0.506028  1
  Cu  Cu120  1  0.392844  0.997380  0.506028  1
  Cu  Cu121  1  0.454452  0.678853  0.537345  1
  Cu  Cu122  1  0.121118  0.678853  0.537345  1
  Cu  Cu123  1  0.051254  0.205919  0.524913  1
  Cu  Cu124  1  0.787785  0.678853  0.537345  1
  Cu  Cu125  1  0.717920  0.205919  0.524913  1
  Cu  Cu126  1  0.384587  0.205919  0.524913  1
  Cu  Cu127  1  0.268428  0.415296  0.543521  1
  Cu  Cu128  1  0.935095  0.415296  0.543521  1
  Cu  Cu129  1  0.865252  0.942324  0.531168  1
  Cu  Cu130  1  0.601761  0.415296  0.543521  1
  Cu  Cu131  1  0.531918  0.942324  0.531168  1
  Cu  Cu132  1  0.198585  0.942324  0.531168  1
  Cu  Cu133  1  0.260324  0.624026  0.562365  1
  Cu  Cu134  1  0.926991  0.624026  0.562365  1
  Cu  Cu135  1  0.857055  0.151057  0.550043  1
  Cu  Cu136  1  0.593657  0.624026  0.562365  1
  Cu  Cu137  1  0.523721  0.151057  0.550043  1
  Cu  Cu138  1  0.190388  0.151057  0.550043  1
  Cu  Cu139  1  0.074210  0.360352  0.568477  1
  Cu  Cu140  1  0.740877  0.360352  0.568477  1
  Cu  Cu141  1  0.671130  0.887501  0.556240  1
  Cu  Cu142  1  0.407543  0.360352  0.568477  1
  Cu  Cu143  1  0.337797  0.887501  0.556240  1
  Cu  Cu144  1  1.004464  0.887501  0.556240  1
  Cu  Cu145  1  0.066068  0.568873  0.587600  1
  Cu  Cu146  1  0.732735  0.568873  0.587600  1
  Cu  Cu147  1  0.662716  0.095796  0.575159  1
  Cu  Cu148  1  0.399401  0.568873  0.587600  1
  Cu  Cu149  1  0.329383  0.095796  0.575159  1
  Cu  Cu150  1  0.996050  0.095796  0.575159  1
  Cu  Cu151  1  0.880132  0.305685  0.593707  1
  Cu  Cu152  1  0.546798  0.305685  0.593707  1
  Cu  Cu153  1  0.476707  0.832225  0.581431  1
  Cu  Cu154  1  0.213465  0.305685  0.593707  1
  Cu  Cu155  1  0.143373  0.832225  0.581431  1
  Cu  Cu156  1  0.810040  0.832225  0.581431  1
  Cu  Cu157  1  0.871896  0.514070  0.612404  1
  Cu  Cu158  1  0.538562  0.514070  0.612404  1
  Cu  Cu159  1  0.468501  0.041087  0.600324  1
  Cu  Cu160  1  0.205229  0.514070  0.612404  1
  Cu  Cu161  1  0.135168  0.041087  0.600324  1
  Cu  Cu162  1  0.801835  0.041087  0.600324  1
  Cu  Cu163  1  0.685727  0.250800  0.618422  1
  Cu  Cu164  1  0.352393  0.250800  0.618422  1
  Cu  Cu165  1  0.282736  0.777690  0.606409  1
  Cu  Cu166  1  0.019060  0.250800  0.618422  1
  Cu  Cu167  1  0.949402  0.777690  0.606409  1
  Cu  Cu168  1  0.616069  0.777690  0.606409  1
  Cu  Cu169  1  0.677772  0.459289  0.638070  1
  Cu  Cu170  1  0.344439  0.459289  0.638070  1
  Cu  Cu171  1  0.273616  0.984885  0.625480  1
  Cu  Cu172  1  0.011106  0.459289  0.638070  1
  Cu  Cu173  1  0.940283  0.984885  0.625480  1
  Cu  Cu174  1  0.606949  0.984885  0.625480  1
  Cu  Cu175  1  0.491459  0.195914  0.643801  1
  Cu  Cu176  1  0.158126  0.195914  0.643801  1
  Cu  Cu177  1  0.087672  0.721488  0.631783  1
  Cu  Cu178  1  0.824792  0.195914  0.643801  1
  Cu  Cu179  1  0.754339  0.721488  0.631783  1
  Cu  Cu180  1  0.421005  0.721488  0.631783  1
  Cu  Cu181  1  0.483922  0.404752  0.662065  1
  Cu  Cu182  1  0.150589  0.404752  0.662065  1
  Cu  Cu183  1  0.079518  0.930951  0.650576  1
  Cu  Cu184  1  0.817255  0.404752  0.662065  1
  Cu  Cu185  1  0.746184  0.930951  0.650576  1
  Cu  Cu186  1  0.412851  0.930951  0.650576  1
  Cu  Cu187  1  0.297414  0.141506  0.667727  1
  Cu  Cu188  1  0.964081  0.141506  0.667727  1
  Cu  Cu189  1  0.894308  0.667515  0.656163  1
  Cu  Cu190  1  0.630748  0.141506  0.667727  1
  Cu  Cu191  1  0.560974  0.667515  0.656163  1
  Cu  Cu192  1  0.227641  0.667515  0.656163  1
  Cu  Cu193  1  0.288004  0.347969  0.688077  1
  Cu  Cu194  1  0.954671  0.347969  0.688077  1
  Cu  Cu195  1  0.883362  0.873280  0.675649  1
  Cu  Cu196  1  0.621338  0.347969  0.688077  1
  Cu  Cu197  1  0.550029  0.873280  0.675649  1
  Cu  Cu198  1  0.216696  0.873280  0.675649  1
  Cu  Cu199  1  0.103255  0.086141  0.693529  1
  Cu  Cu200  1  0.769922  0.086141  0.693529  1
  Cu  Cu201  1  0.699843  0.612758  0.682536  1
  Cu  Cu202  1  0.436588  0.086141  0.693529  1
  Cu  Cu203  1  0.366509  0.612758  0.682536  1
  Cu  Cu204  1  0.033176  0.612758  0.682536  1
  Cu  Cu205  1  0.094389  0.292427  0.710913  1
  Cu  Cu206  1  0.761056  0.292427  0.710913  1
  Cu  Cu207  1  0.688055  0.820321  0.700394  1
  Cu  Cu208  1  0.427723  0.292427  0.710913  1
  Cu  Cu209  1  0.354722  0.820321  0.700394  1
  Cu  Cu210  1  0.021388  0.820321  0.700394  1
  Cu  Cu211  1  0.907507  0.030703  0.716003  1
  Cu  Cu212  1  0.574174  0.030703  0.716003  1
  Cu  Cu213  1  0.503389  0.554980  0.705075  1
  Cu  Cu214  1  0.240840  0.030703  0.716003  1
  Cu  Cu215  1  0.170055  0.554980  0.705075  1
  Cu  Cu216  1  0.836722  0.554980  0.705075  1
