# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.39377406
_cell_length_b   13.66272376
_cell_length_c   46.71724073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.02289265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu324
_cell_volume   8527.97780113
_cell_formula_units_Z   324
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  0.250864  0.676125  0.302706  1
  Cu  Cu2  1  0.260058  0.321299  0.319611  1
  Cu  Cu3  1  0.406835  0.364446  0.287314  1
  Cu  Cu4  1  0.584197  0.342791  0.302706  1
  Cu  Cu5  1  0.240168  0.031113  0.287314  1
  Cu  Cu6  1  0.417530  0.009458  0.302706  1
  Cu  Cu7  1  0.426725  0.654633  0.319611  1
  Cu  Cu8  1  0.573502  0.697780  0.287314  1
  Cu  Cu9  1  0.750864  0.676125  0.302706  1
  Cu  Cu10  1  0.760058  0.321299  0.319611  1
  Cu  Cu11  1  0.906835  0.364446  0.287314  1
  Cu  Cu12  1  0.084197  0.342791  0.302706  1
  Cu  Cu13  1  0.593391  0.987966  0.319611  1
  Cu  Cu14  1  0.740168  0.031113  0.287314  1
  Cu  Cu15  1  0.917530  0.009458  0.302706  1
  Cu  Cu16  1  0.926725  0.654633  0.319611  1
  Cu  Cu17  1  0.073502  0.697780  0.287314  1
  Cu  Cu18  1  0.093391  0.987966  0.319611  1
  Cu  Cu19  1  0.296511  0.856265  0.293200  1
  Cu  Cu20  1  0.306384  0.501289  0.309046  1
  Cu  Cu21  1  0.456506  0.544926  0.277785  1
  Cu  Cu22  1  0.629845  0.522931  0.293200  1
  Cu  Cu23  1  0.289839  0.211593  0.277785  1
  Cu  Cu24  1  0.463178  0.189598  0.293200  1
  Cu  Cu25  1  0.473051  0.834623  0.309046  1
  Cu  Cu26  1  0.623173  0.878259  0.277785  1
  Cu  Cu27  1  0.796511  0.856265  0.293200  1
  Cu  Cu28  1  0.806384  0.501289  0.309046  1
  Cu  Cu29  1  0.956506  0.544926  0.277785  1
  Cu  Cu30  1  0.129845  0.522931  0.293200  1
  Cu  Cu31  1  0.639717  0.167956  0.309046  1
  Cu  Cu32  1  0.789839  0.211593  0.277785  1
  Cu  Cu33  1  0.963178  0.189598  0.293200  1
  Cu  Cu34  1  0.973051  0.834623  0.309046  1
  Cu  Cu35  1  0.123173  0.878259  0.277785  1
  Cu  Cu36  1  0.139717  0.167956  0.309046  1
  Cu  Cu37  1  0.279850  0.609452  0.352873  1
  Cu  Cu38  1  0.289755  0.253956  0.369906  1
  Cu  Cu39  1  0.436691  0.297827  0.336226  1
  Cu  Cu40  1  0.613183  0.276119  0.352873  1
  Cu  Cu41  1  0.270024  0.964493  0.336226  1
  Cu  Cu42  1  0.446516  0.942785  0.352873  1
  Cu  Cu43  1  0.456421  0.587289  0.369906  1
  Cu  Cu44  1  0.603358  0.631160  0.336226  1
  Cu  Cu45  1  0.779850  0.609452  0.352873  1
  Cu  Cu46  1  0.789755  0.253956  0.369906  1
  Cu  Cu47  1  0.936691  0.297827  0.336226  1
  Cu  Cu48  1  0.113183  0.276119  0.352873  1
  Cu  Cu49  1  0.623088  0.920623  0.369906  1
  Cu  Cu50  1  0.770024  0.964493  0.336226  1
  Cu  Cu51  1  0.946516  0.942785  0.352873  1
  Cu  Cu52  1  0.956421  0.587289  0.369906  1
  Cu  Cu53  1  0.103358  0.631160  0.336226  1
  Cu  Cu54  1  0.123088  0.920623  0.369906  1
  Cu  Cu55  1  0.327408  0.790266  0.342671  1
  Cu  Cu56  1  0.337656  0.434759  0.358980  1
  Cu  Cu57  1  0.483730  0.478997  0.326076  1
  Cu  Cu58  1  0.660742  0.456932  0.342671  1
  Cu  Cu59  1  0.317063  0.145663  0.326076  1
  Cu  Cu60  1  0.494075  0.123599  0.342671  1
  Cu  Cu61  1  0.504322  0.768093  0.358980  1
  Cu  Cu62  1  0.650397  0.812330  0.326076  1
  Cu  Cu63  1  0.827408  0.790266  0.342671  1
  Cu  Cu64  1  0.837656  0.434759  0.358980  1
  Cu  Cu65  1  0.983730  0.478997  0.326076  1
  Cu  Cu66  1  0.160742  0.456932  0.342671  1
  Cu  Cu67  1  0.670989  0.101426  0.358980  1
  Cu  Cu68  1  0.817063  0.145663  0.326076  1
  Cu  Cu69  1  0.994075  0.123599  0.342671  1
  Cu  Cu70  1  0.004322  0.768093  0.358980  1
  Cu  Cu71  1  0.150397  0.812330  0.326076  1
  Cu  Cu72  1  0.170989  0.101426  0.358980  1
  Cu  Cu73  1  0.310084  0.542904  0.403256  1
  Cu  Cu74  1  0.320361  0.187473  0.420050  1
  Cu  Cu75  1  0.466629  0.231735  0.386616  1
  Cu  Cu76  1  0.643417  0.209570  0.403256  1
  Cu  Cu77  1  0.299962  0.898401  0.386616  1
  Cu  Cu78  1  0.476751  0.876237  0.403256  1
  Cu  Cu79  1  0.487028  0.520806  0.420050  1
  Cu  Cu80  1  0.633295  0.565068  0.386616  1
  Cu  Cu81  1  0.810084  0.542904  0.403256  1
  Cu  Cu82  1  0.820361  0.187473  0.420050  1
  Cu  Cu83  1  0.966629  0.231735  0.386616  1
  Cu  Cu84  1  0.143417  0.209570  0.403256  1
  Cu  Cu85  1  0.653695  0.854139  0.420050  1
  Cu  Cu86  1  0.799962  0.898401  0.386616  1
  Cu  Cu87  1  0.976751  0.876237  0.403256  1
  Cu  Cu88  1  0.987028  0.520806  0.420050  1
  Cu  Cu89  1  0.133295  0.565068  0.386616  1
  Cu  Cu90  1  0.153695  0.854139  0.420050  1
  Cu  Cu91  1  0.358173  0.723830  0.392472  1
  Cu  Cu92  1  0.368376  0.368597  0.409140  1
  Cu  Cu93  1  0.514525  0.412535  0.375853  1
  Cu  Cu94  1  0.691506  0.390497  0.392472  1
  Cu  Cu95  1  0.347859  0.079201  0.375853  1
  Cu  Cu96  1  0.524840  0.057164  0.392472  1
  Cu  Cu97  1  0.535043  0.701931  0.409140  1
  Cu  Cu98  1  0.681192  0.745868  0.375853  1
  Cu  Cu99  1  0.858173  0.723830  0.392472  1
  Cu  Cu100  1  0.868376  0.368597  0.409140  1
  Cu  Cu101  1  0.014525  0.412535  0.375853  1
  Cu  Cu102  1  0.191506  0.390497  0.392472  1
  Cu  Cu103  1  0.701710  0.035264  0.409140  1
  Cu  Cu104  1  0.847859  0.079201  0.375853  1
  Cu  Cu105  1  0.024840  0.057164  0.392472  1
  Cu  Cu106  1  0.035043  0.701931  0.409140  1
  Cu  Cu107  1  0.181192  0.745868  0.375853  1
  Cu  Cu108  1  0.201710  0.035264  0.409140  1
  Cu  Cu109  1  0.340891  0.476575  0.453443  1
  Cu  Cu110  1  0.351183  0.121133  0.470159  1
  Cu  Cu111  1  0.497316  0.165309  0.436745  1
  Cu  Cu112  1  0.674225  0.143242  0.453443  1
  Cu  Cu113  1  0.330649  0.831976  0.436745  1
  Cu  Cu114  1  0.507558  0.809908  0.453443  1
  Cu  Cu115  1  0.517849  0.454466  0.470159  1
  Cu  Cu116  1  0.663982  0.498643  0.436745  1
  Cu  Cu117  1  0.840891  0.476575  0.453443  1
  Cu  Cu118  1  0.851183  0.121133  0.470159  1
  Cu  Cu119  1  0.997316  0.165309  0.436745  1
  Cu  Cu120  1  0.174225  0.143242  0.453443  1
  Cu  Cu121  1  0.684516  0.787799  0.470159  1
  Cu  Cu122  1  0.830649  0.831976  0.436745  1
  Cu  Cu123  1  0.007558  0.809908  0.453443  1
  Cu  Cu124  1  0.017849  0.454466  0.470159  1
  Cu  Cu125  1  0.163982  0.498643  0.436745  1
  Cu  Cu126  1  0.184516  0.787799  0.470159  1
  Cu  Cu127  1  0.388927  0.657677  0.442514  1
  Cu  Cu128  1  0.399205  0.302291  0.459209  1
  Cu  Cu129  1  0.545324  0.346432  0.425856  1
  Cu  Cu130  1  0.722260  0.324344  0.442514  1
  Cu  Cu131  1  0.378657  0.013098  0.425856  1
  Cu  Cu132  1  0.555593  0.991011  0.442514  1
  Cu  Cu133  1  0.565872  0.635625  0.459209  1
  Cu  Cu134  1  0.711990  0.679765  0.425856  1
  Cu  Cu135  1  0.888927  0.657677  0.442514  1
  Cu  Cu136  1  0.899205  0.302291  0.459209  1
  Cu  Cu137  1  0.045324  0.346432  0.425856  1
  Cu  Cu138  1  0.222260  0.324344  0.442514  1
  Cu  Cu139  1  0.732539  0.968958  0.459209  1
  Cu  Cu140  1  0.878657  0.013098  0.425856  1
  Cu  Cu141  1  0.055593  0.991011  0.442514  1
  Cu  Cu142  1  0.065872  0.635625  0.459209  1
  Cu  Cu143  1  0.211990  0.679765  0.425856  1
  Cu  Cu144  1  0.232539  0.968958  0.459209  1
  Cu  Cu145  1  0.371759  0.410272  0.503553  1
  Cu  Cu146  1  0.382052  0.054852  0.520243  1
  Cu  Cu147  1  0.528143  0.099020  0.486854  1
  Cu  Cu148  1  0.705093  0.076939  0.503553  1
  Cu  Cu149  1  0.361476  0.765687  0.486854  1
  Cu  Cu150  1  0.538426  0.743605  0.503553  1
  Cu  Cu151  1  0.548718  0.388185  0.520243  1
  Cu  Cu152  1  0.694810  0.432353  0.486854  1
  Cu  Cu153  1  0.871759  0.410272  0.503553  1
  Cu  Cu154  1  0.882052  0.054852  0.520243  1
  Cu  Cu155  1  0.028143  0.099020  0.486854  1
  Cu  Cu156  1  0.205093  0.076939  0.503553  1
  Cu  Cu157  1  0.715385  0.721518  0.520243  1
  Cu  Cu158  1  0.861476  0.765687  0.486854  1
  Cu  Cu159  1  0.038426  0.743605  0.503553  1
  Cu  Cu160  1  0.048718  0.388185  0.520243  1
  Cu  Cu161  1  0.194810  0.432353  0.486854  1
  Cu  Cu162  1  0.215385  0.721518  0.520243  1
  Cu  Cu163  1  0.419785  0.591430  0.492597  1
  Cu  Cu164  1  0.430069  0.236015  0.509297  1
  Cu  Cu165  1  0.576160  0.280184  0.475907  1
  Cu  Cu166  1  0.753119  0.258097  0.492597  1
  Cu  Cu167  1  0.409493  0.946850  0.475907  1
  Cu  Cu168  1  0.586452  0.924763  0.492597  1
  Cu  Cu169  1  0.596735  0.569348  0.509297  1
  Cu  Cu170  1  0.742826  0.613517  0.475907  1
  Cu  Cu171  1  0.919785  0.591430  0.492597  1
  Cu  Cu172  1  0.930069  0.236015  0.509297  1
  Cu  Cu173  1  0.076160  0.280184  0.475907  1
  Cu  Cu174  1  0.253119  0.258097  0.492597  1
  Cu  Cu175  1  0.763402  0.902682  0.509297  1
  Cu  Cu176  1  0.909493  0.946850  0.475907  1
  Cu  Cu177  1  0.086452  0.924763  0.492597  1
  Cu  Cu178  1  0.096735  0.569348  0.509297  1
  Cu  Cu179  1  0.242826  0.613517  0.475907  1
  Cu  Cu180  1  0.263402  0.902682  0.509297  1
  Cu  Cu181  1  0.402618  0.344024  0.553637  1
  Cu  Cu182  1  0.412888  0.988603  0.570295  1
  Cu  Cu183  1  0.559006  0.032744  0.536942  1
  Cu  Cu184  1  0.735952  0.010691  0.553637  1
  Cu  Cu185  1  0.392340  0.699411  0.536942  1
  Cu  Cu186  1  0.569285  0.677358  0.553637  1
  Cu  Cu187  1  0.579554  0.321937  0.570295  1
  Cu  Cu188  1  0.725673  0.366077  0.536942  1
  Cu  Cu189  1  0.902618  0.344024  0.553637  1
  Cu  Cu190  1  0.912888  0.988603  0.570295  1
  Cu  Cu191  1  0.059006  0.032744  0.536942  1
  Cu  Cu192  1  0.235952  0.010691  0.553637  1
  Cu  Cu193  1  0.746221  0.655270  0.570295  1
  Cu  Cu194  1  0.892340  0.699411  0.536942  1
  Cu  Cu195  1  0.069285  0.677358  0.553637  1
  Cu  Cu196  1  0.079554  0.321937  0.570295  1
  Cu  Cu197  1  0.225673  0.366077  0.536942  1
  Cu  Cu198  1  0.246221  0.655270  0.570295  1
  Cu  Cu199  1  0.450653  0.525127  0.542708  1
  Cu  Cu200  1  0.460896  0.169726  0.559406  1
  Cu  Cu201  1  0.607029  0.213903  0.525992  1
  Cu  Cu202  1  0.783987  0.191793  0.542708  1
  Cu  Cu203  1  0.440362  0.880569  0.525992  1
  Cu  Cu204  1  0.617320  0.858460  0.542708  1
  Cu  Cu205  1  0.627563  0.503059  0.559406  1
  Cu  Cu206  1  0.773695  0.547236  0.525992  1
  Cu  Cu207  1  0.950653  0.525127  0.542708  1
  Cu  Cu208  1  0.960896  0.169726  0.559406  1
  Cu  Cu209  1  0.107029  0.213903  0.525992  1
  Cu  Cu210  1  0.283987  0.191793  0.542708  1
  Cu  Cu211  1  0.794229  0.836392  0.559406  1
  Cu  Cu212  1  0.940362  0.880569  0.525992  1
  Cu  Cu213  1  0.117320  0.858460  0.542708  1
  Cu  Cu214  1  0.127563  0.503059  0.559406  1
  Cu  Cu215  1  0.273695  0.547236  0.525992  1
  Cu  Cu216  1  0.294229  0.836392  0.559406  1
  Cu  Cu217  1  0.433372  0.277871  0.603679  1
  Cu  Cu218  1  0.443686  0.922500  0.620297  1
  Cu  Cu219  1  0.589835  0.966438  0.587010  1
  Cu  Cu220  1  0.766705  0.944538  0.603679  1
  Cu  Cu221  1  0.423168  0.633104  0.587010  1
  Cu  Cu222  1  0.600038  0.611205  0.603679  1
  Cu  Cu223  1  0.610353  0.255834  0.620297  1
  Cu  Cu224  1  0.756502  0.299771  0.587010  1
  Cu  Cu225  1  0.933372  0.277871  0.603679  1
  Cu  Cu226  1  0.943686  0.922500  0.620297  1
  Cu  Cu227  1  0.089835  0.966438  0.587010  1
  Cu  Cu228  1  0.266705  0.944538  0.603679  1
  Cu  Cu229  1  0.777020  0.589167  0.620297  1
  Cu  Cu230  1  0.923168  0.633104  0.587010  1
  Cu  Cu231  1  0.100038  0.611205  0.603679  1
  Cu  Cu232  1  0.110353  0.255834  0.620297  1
  Cu  Cu233  1  0.256502  0.299771  0.587010  1
  Cu  Cu234  1  0.277020  0.589167  0.620297  1
  Cu  Cu235  1  0.481461  0.458798  0.592894  1
  Cu  Cu236  1  0.491583  0.103301  0.609534  1
  Cu  Cu237  1  0.637850  0.147562  0.576101  1
  Cu  Cu238  1  0.814794  0.125465  0.592894  1
  Cu  Cu239  1  0.471183  0.814229  0.576101  1
  Cu  Cu240  1  0.648127  0.792131  0.592894  1
  Cu  Cu241  1  0.658250  0.436634  0.609534  1
  Cu  Cu242  1  0.804517  0.480896  0.576101  1
  Cu  Cu243  1  0.981461  0.458798  0.592894  1
  Cu  Cu244  1  0.991583  0.103301  0.609534  1
  Cu  Cu245  1  0.137850  0.147562  0.576101  1
  Cu  Cu246  1  0.314794  0.125465  0.592894  1
  Cu  Cu247  1  0.824916  0.769967  0.609534  1
  Cu  Cu248  1  0.971183  0.814229  0.576101  1
  Cu  Cu249  1  0.148127  0.792131  0.592894  1
  Cu  Cu250  1  0.158250  0.436634  0.609534  1
  Cu  Cu251  1  0.304517  0.480896  0.576101  1
  Cu  Cu252  1  0.324916  0.769967  0.609534  1
  Cu  Cu253  1  0.464136  0.211436  0.653479  1
  Cu  Cu254  1  0.474482  0.856038  0.670075  1
  Cu  Cu255  1  0.620556  0.900276  0.637171  1
  Cu  Cu256  1  0.797470  0.878103  0.653479  1
  Cu  Cu257  1  0.453889  0.566943  0.637171  1
  Cu  Cu258  1  0.630803  0.544770  0.653479  1
  Cu  Cu259  1  0.641148  0.189372  0.670075  1
  Cu  Cu260  1  0.787223  0.233609  0.637171  1
  Cu  Cu261  1  0.964136  0.211436  0.653479  1
  Cu  Cu262  1  0.974482  0.856038  0.670075  1
  Cu  Cu263  1  0.120556  0.900276  0.637171  1
  Cu  Cu264  1  0.297470  0.878103  0.653479  1
  Cu  Cu265  1  0.807815  0.522705  0.670075  1
  Cu  Cu266  1  0.953889  0.566943  0.637171  1
  Cu  Cu267  1  0.130803  0.544770  0.653479  1
  Cu  Cu268  1  0.141148  0.189372  0.670075  1
  Cu  Cu269  1  0.287223  0.233609  0.637171  1
  Cu  Cu270  1  0.307815  0.522705  0.670075  1
  Cu  Cu271  1  0.511695  0.392250  0.643277  1
  Cu  Cu272  1  0.521520  0.037208  0.659924  1
  Cu  Cu273  1  0.668457  0.081079  0.626245  1
  Cu  Cu274  1  0.845028  0.058916  0.643277  1
  Cu  Cu275  1  0.501790  0.747746  0.626245  1
  Cu  Cu276  1  0.678362  0.725583  0.643277  1
  Cu  Cu277  1  0.688187  0.370542  0.659924  1
  Cu  Cu278  1  0.835123  0.414413  0.626245  1
  Cu  Cu279  1  0.011695  0.392250  0.643277  1
  Cu  Cu280  1  0.021520  0.037208  0.659924  1
  Cu  Cu281  1  0.168457  0.081079  0.626245  1
  Cu  Cu282  1  0.345028  0.058916  0.643277  1
  Cu  Cu283  1  0.854854  0.703875  0.659924  1
  Cu  Cu284  1  1.001790  0.747746  0.626245  1
  Cu  Cu285  1  0.178362  0.725583  0.643277  1
  Cu  Cu286  1  0.188187  0.370542  0.659924  1
  Cu  Cu287  1  0.335123  0.414413  0.626245  1
  Cu  Cu288  1  0.354854  0.703875  0.659924  1
  Cu  Cu289  1  0.495033  0.145437  0.702951  1
  Cu  Cu290  1  0.501705  0.790109  0.718366  1
  Cu  Cu291  1  0.651827  0.833746  0.687104  1
  Cu  Cu292  1  0.828367  0.812104  0.702951  1
  Cu  Cu293  1  0.485161  0.500413  0.687104  1
  Cu  Cu294  1  0.661700  0.478770  0.702951  1
  Cu  Cu295  1  0.668372  0.123442  0.718366  1
  Cu  Cu296  1  0.818494  0.167079  0.687104  1
  Cu  Cu297  1  0.995033  0.145437  0.702951  1
  Cu  Cu298  1  1.001705  0.790109  0.718366  1
  Cu  Cu299  1  0.151827  0.833746  0.687104  1
  Cu  Cu300  1  0.328367  0.812104  0.702951  1
  Cu  Cu301  1  0.835039  0.456776  0.718366  1
  Cu  Cu302  1  0.985161  0.500413  0.687104  1
  Cu  Cu303  1  0.161700  0.478770  0.702951  1
  Cu  Cu304  1  0.168372  0.123442  0.718366  1
  Cu  Cu305  1  0.318494  0.167079  0.687104  1
  Cu  Cu306  1  0.335039  0.456776  0.718366  1
  Cu  Cu307  1  0.540681  0.325577  0.693444  1
  Cu  Cu308  1  0.551377  0.970589  0.708837  1
  Cu  Cu309  1  0.698153  0.013736  0.676539  1
  Cu  Cu310  1  0.874014  0.992244  0.693444  1
  Cu  Cu311  1  0.531487  0.680402  0.676539  1
  Cu  Cu312  1  0.707348  0.658910  0.693444  1
  Cu  Cu313  1  0.718043  0.303922  0.708837  1
  Cu  Cu314  1  0.864820  0.347069  0.676539  1
  Cu  Cu315  1  0.040681  0.325577  0.693444  1
  Cu  Cu316  1  0.051377  0.970589  0.708837  1
  Cu  Cu317  1  0.198153  0.013736  0.676539  1
  Cu  Cu318  1  0.374014  0.992244  0.693444  1
  Cu  Cu319  1  0.884710  0.637255  0.708837  1
  Cu  Cu320  1  0.031487  0.680402  0.676539  1
  Cu  Cu321  1  0.207348  0.658910  0.693444  1
  Cu  Cu322  1  0.218043  0.303922  0.708837  1
  Cu  Cu323  1  0.364820  0.347069  0.676539  1
  Cu  Cu324  1  0.384710  0.637255  0.708837  1
