# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.26632342
_cell_length_b   11.36813225
_cell_length_c   46.79214015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   54.22336181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5725.26105636
_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  0.179586  0.204782  0.291071  1
  Cu  Cu2  1  0.846253  0.204782  0.291071  1
  Cu  Cu3  1  0.251912  0.730141  0.279493  1
  Cu  Cu4  1  0.512920  0.204782  0.291071  1
  Cu  Cu5  1  0.918579  0.730141  0.279493  1
  Cu  Cu6  1  0.585245  0.730141  0.279493  1
  Cu  Cu7  1  0.256911  0.939928  0.296306  1
  Cu  Cu8  1  0.923577  0.939928  0.296306  1
  Cu  Cu9  1  0.325095  0.468619  0.284991  1
  Cu  Cu10  1  0.590244  0.939928  0.296306  1
  Cu  Cu11  1  0.991761  0.468619  0.284991  1
  Cu  Cu12  1  0.658428  0.468619  0.284991  1
  Cu  Cu13  1  0.040528  0.148737  0.314223  1
  Cu  Cu14  1  0.707194  0.148737  0.314223  1
  Cu  Cu15  1  0.111066  0.675272  0.302340  1
  Cu  Cu16  1  0.373861  0.148737  0.314223  1
  Cu  Cu17  1  0.777733  0.675272  0.302340  1
  Cu  Cu18  1  0.444399  0.675272  0.302340  1
  Cu  Cu19  1  0.116831  0.885679  0.320304  1
  Cu  Cu20  1  0.783498  0.885679  0.320304  1
  Cu  Cu21  1  0.186557  0.412694  0.308054  1
  Cu  Cu22  1  0.450165  0.885679  0.320304  1
  Cu  Cu23  1  0.853224  0.412694  0.308054  1
  Cu  Cu24  1  0.519890  0.412694  0.308054  1
  Cu  Cu25  1  0.902422  0.090270  0.339443  1
  Cu  Cu26  1  0.569089  0.090270  0.339443  1
  Cu  Cu27  1  0.971890  0.619199  0.327380  1
  Cu  Cu28  1  0.235756  0.090270  0.339443  1
  Cu  Cu29  1  0.638557  0.619199  0.327380  1
  Cu  Cu30  1  0.305223  0.619199  0.327380  1
  Cu  Cu31  1  0.979705  0.826084  0.345235  1
  Cu  Cu32  1  0.646372  0.826084  0.345235  1
  Cu  Cu33  1  0.048681  0.354828  0.333356  1
  Cu  Cu34  1  0.313038  0.826084  0.345235  1
  Cu  Cu35  1  0.715348  0.354828  0.333356  1
  Cu  Cu36  1  0.382015  0.354828  0.333356  1
  Cu  Cu37  1  0.764419  0.033101  0.364170  1
  Cu  Cu38  1  0.431085  0.033101  0.364170  1
  Cu  Cu39  1  0.834014  0.561086  0.351817  1
  Cu  Cu40  1  0.097752  0.033101  0.364170  1
  Cu  Cu41  1  0.500681  0.561086  0.351817  1
  Cu  Cu42  1  0.167347  0.561086  0.351817  1
  Cu  Cu43  1  0.841290  0.769316  0.370505  1
  Cu  Cu44  1  0.507957  0.769316  0.370505  1
  Cu  Cu45  1  0.910705  0.297042  0.357828  1
  Cu  Cu46  1  0.174623  0.769316  0.370505  1
  Cu  Cu47  1  0.577372  0.297042  0.357828  1
  Cu  Cu48  1  0.244038  0.297042  0.357828  1
  Cu  Cu49  1  0.626195  0.975400  0.389366  1
  Cu  Cu50  1  0.292861  0.975400  0.389366  1
  Cu  Cu51  1  0.695521  0.504169  0.377062  1
  Cu  Cu52  1  0.959528  0.975400  0.389366  1
  Cu  Cu53  1  0.362188  0.504169  0.377062  1
  Cu  Cu54  1  0.028854  0.504169  0.377062  1
  Cu  Cu55  1  0.703786  0.711244  0.395563  1
  Cu  Cu56  1  0.370452  0.711244  0.395563  1
  Cu  Cu57  1  0.772695  0.239876  0.383164  1
  Cu  Cu58  1  0.037119  0.711244  0.395563  1
  Cu  Cu59  1  0.439362  0.239876  0.383164  1
  Cu  Cu60  1  0.106029  0.239876  0.383164  1
  Cu  Cu61  1  0.488168  0.917888  0.414496  1
  Cu  Cu62  1  0.154834  0.917888  0.414496  1
  Cu  Cu63  1  0.557388  0.446381  0.401976  1
  Cu  Cu64  1  0.821501  0.917888  0.414496  1
  Cu  Cu65  1  0.224055  0.446381  0.401976  1
  Cu  Cu66  1  0.890721  0.446381  0.401976  1
  Cu  Cu67  1  0.565894  0.653587  0.420760  1
  Cu  Cu68  1  0.232560  0.653587  0.420760  1
  Cu  Cu69  1  0.634926  0.182189  0.408162  1
  Cu  Cu70  1  0.899227  0.653587  0.420760  1
  Cu  Cu71  1  0.301593  0.182189  0.408162  1
  Cu  Cu72  1  0.968260  0.182189  0.408162  1
  Cu  Cu73  1  0.350298  0.860133  0.439590  1
  Cu  Cu74  1  0.016964  0.860133  0.439590  1
  Cu  Cu75  1  0.419337  0.388877  0.427133  1
  Cu  Cu76  1  0.683631  0.860133  0.439590  1
  Cu  Cu77  1  0.086004  0.388877  0.427133  1
  Cu  Cu78  1  0.752670  0.388877  0.427133  1
  Cu  Cu79  1  0.428088  0.595800  0.445830  1
  Cu  Cu80  1  0.094755  0.595800  0.445830  1
  Cu  Cu81  1  0.497084  0.124568  0.433313  1
  Cu  Cu82  1  0.761421  0.595800  0.445830  1
  Cu  Cu83  1  0.163751  0.124568  0.433313  1
  Cu  Cu84  1  0.830417  0.124568  0.433313  1
  Cu  Cu85  1  0.212423  0.802480  0.464727  1
  Cu  Cu86  1  0.879090  0.802480  0.464727  1
  Cu  Cu87  1  0.281441  0.331198  0.452181  1
  Cu  Cu88  1  0.545756  0.802480  0.464727  1
  Cu  Cu89  1  0.948107  0.331198  0.452181  1
  Cu  Cu90  1  0.614774  0.331198  0.452181  1
  Cu  Cu91  1  0.290202  0.538144  0.470972  1
  Cu  Cu92  1  0.956869  0.538144  0.470972  1
  Cu  Cu93  1  0.359182  0.066926  0.458419  1
  Cu  Cu94  1  0.623535  0.538144  0.470972  1
  Cu  Cu95  1  0.025848  0.066926  0.458419  1
  Cu  Cu96  1  0.692515  0.066926  0.458419  1
  Cu  Cu97  1  0.074562  0.744780  0.489821  1
  Cu  Cu98  1  0.741228  0.744780  0.489821  1
  Cu  Cu99  1  0.143535  0.273566  0.477298  1
  Cu  Cu100  1  0.407895  0.744780  0.489821  1
  Cu  Cu101  1  0.810202  0.273566  0.477298  1
  Cu  Cu102  1  0.476868  0.273566  0.477298  1
  Cu  Cu103  1  0.152342  0.480453  0.496066  1
  Cu  Cu104  1  0.819008  0.480453  0.496066  1
  Cu  Cu105  1  0.221322  0.009238  0.483522  1
  Cu  Cu106  1  0.485675  0.480453  0.496066  1
  Cu  Cu107  1  0.887988  0.009238  0.483522  1
  Cu  Cu108  1  0.554655  0.009238  0.483522  1
  Cu  Cu109  1  0.936680  0.687128  0.514947  1
  Cu  Cu110  1  0.603347  0.687128  0.514947  1
  Cu  Cu111  1  0.005660  0.215914  0.502403  1
  Cu  Cu112  1  0.270013  0.687128  0.514947  1
  Cu  Cu113  1  0.672327  0.215914  0.502403  1
  Cu  Cu114  1  0.338993  0.215914  0.502403  1
  Cu  Cu115  1  0.014467  0.422800  0.521171  1
  Cu  Cu116  1  0.681134  0.422800  0.521171  1
  Cu  Cu117  1  0.083440  0.951586  0.508648  1
  Cu  Cu118  1  0.347800  0.422800  0.521171  1
  Cu  Cu119  1  0.750107  0.951586  0.508648  1
  Cu  Cu120  1  0.416773  0.951586  0.508648  1
  Cu  Cu121  1  0.798820  0.629440  0.540050  1
  Cu  Cu122  1  0.465487  0.629440  0.540050  1
  Cu  Cu123  1  0.867800  0.158223  0.527497  1
  Cu  Cu124  1  0.132154  0.629440  0.540050  1
  Cu  Cu125  1  0.534467  0.158223  0.527497  1
  Cu  Cu126  1  0.201133  0.158223  0.527497  1
  Cu  Cu127  1  0.876561  0.365169  0.546288  1
  Cu  Cu128  1  0.543228  0.365169  0.546288  1
  Cu  Cu129  1  0.945579  0.893887  0.533742  1
  Cu  Cu130  1  0.209895  0.365169  0.546288  1
  Cu  Cu131  1  0.612245  0.893887  0.533742  1
  Cu  Cu132  1  0.278912  0.893887  0.533742  1
  Cu  Cu133  1  0.660918  0.571799  0.565156  1
  Cu  Cu134  1  0.327585  0.571799  0.565156  1
  Cu  Cu135  1  0.729914  0.100566  0.552639  1
  Cu  Cu136  1  0.994251  0.571799  0.565156  1
  Cu  Cu137  1  0.396580  0.100566  0.552639  1
  Cu  Cu138  1  0.063247  0.100566  0.552639  1
  Cu  Cu139  1  0.738665  0.307490  0.571336  1
  Cu  Cu140  1  0.405331  0.307490  0.571336  1
  Cu  Cu141  1  0.807704  0.836234  0.558879  1
  Cu  Cu142  1  0.071998  0.307490  0.571336  1
  Cu  Cu143  1  0.474371  0.836234  0.558879  1
  Cu  Cu144  1  0.141037  0.836234  0.558879  1
  Cu  Cu145  1  0.523075  0.514178  0.590308  1
  Cu  Cu146  1  0.189742  0.514178  0.590308  1
  Cu  Cu147  1  0.592108  0.042780  0.577709  1
  Cu  Cu148  1  0.856409  0.514178  0.590308  1
  Cu  Cu149  1  0.258775  0.042780  0.577709  1
  Cu  Cu150  1  0.925441  0.042780  0.577709  1
  Cu  Cu151  1  0.600614  0.249985  0.596493  1
  Cu  Cu152  1  0.267281  0.249985  0.596493  1
  Cu  Cu153  1  0.669834  0.778478  0.583973  1
  Cu  Cu154  1  0.933947  0.249985  0.596493  1
  Cu  Cu155  1  0.336501  0.778478  0.583973  1
  Cu  Cu156  1  0.003168  0.778478  0.583973  1
  Cu  Cu157  1  0.385306  0.456490  0.615305  1
  Cu  Cu158  1  0.051973  0.456490  0.615305  1
  Cu  Cu159  1  0.454216  0.985122  0.602906  1
  Cu  Cu160  1  0.718640  0.456490  0.615305  1
  Cu  Cu161  1  0.120883  0.985122  0.602906  1
  Cu  Cu162  1  0.787549  0.985122  0.602906  1
  Cu  Cu163  1  0.462481  0.192197  0.621407  1
  Cu  Cu164  1  0.129147  0.192197  0.621407  1
  Cu  Cu165  1  0.531807  0.720967  0.609103  1
  Cu  Cu166  1  0.795814  0.192197  0.621407  1
  Cu  Cu167  1  0.198474  0.720967  0.609103  1
  Cu  Cu168  1  0.865140  0.720967  0.609103  1
  Cu  Cu169  1  0.247297  0.399324  0.640641  1
  Cu  Cu170  1  0.913964  0.399324  0.640641  1
  Cu  Cu171  1  0.316712  0.927050  0.627964  1
  Cu  Cu172  1  0.580630  0.399324  0.640641  1
  Cu  Cu173  1  0.983378  0.927050  0.627964  1
  Cu  Cu174  1  0.650045  0.927050  0.627964  1
  Cu  Cu175  1  0.323988  0.135281  0.646652  1
  Cu  Cu176  1  0.990654  0.135281  0.646652  1
  Cu  Cu177  1  0.393583  0.663266  0.634299  1
  Cu  Cu178  1  0.657321  0.135281  0.646652  1
  Cu  Cu179  1  0.060250  0.663266  0.634299  1
  Cu  Cu180  1  0.726916  0.663266  0.634299  1
  Cu  Cu181  1  0.109320  0.341539  0.665113  1
  Cu  Cu182  1  0.775987  0.341539  0.665113  1
  Cu  Cu183  1  0.178297  0.870282  0.653234  1
  Cu  Cu184  1  0.442654  0.341539  0.665113  1
  Cu  Cu185  1  0.844963  0.870282  0.653234  1
  Cu  Cu186  1  0.511630  0.870282  0.653234  1
  Cu  Cu187  1  0.186112  0.077167  0.671089  1
  Cu  Cu188  1  0.852778  0.077167  0.671089  1
  Cu  Cu189  1  0.255579  0.606097  0.659026  1
  Cu  Cu190  1  0.519445  0.077167  0.671089  1
  Cu  Cu191  1  0.922246  0.606097  0.659026  1
  Cu  Cu192  1  0.588913  0.606097  0.659026  1
  Cu  Cu193  1  0.971445  0.283673  0.690415  1
  Cu  Cu194  1  0.638111  0.283673  0.690415  1
  Cu  Cu195  1  0.041170  0.810688  0.678165  1
  Cu  Cu196  1  0.304778  0.283673  0.690415  1
  Cu  Cu197  1  0.707837  0.810688  0.678165  1
  Cu  Cu198  1  0.374504  0.810688  0.678165  1
  Cu  Cu199  1  0.046936  0.021095  0.696129  1
  Cu  Cu200  1  0.713602  0.021095  0.696129  1
  Cu  Cu201  1  0.117474  0.547629  0.684246  1
  Cu  Cu202  1  0.380269  0.021095  0.696129  1
  Cu  Cu203  1  0.784141  0.547629  0.684246  1
  Cu  Cu204  1  0.450807  0.547629  0.684246  1
  Cu  Cu205  1  0.832907  0.227748  0.713478  1
  Cu  Cu206  1  0.499574  0.227748  0.713478  1
  Cu  Cu207  1  0.901091  0.756439  0.702163  1
  Cu  Cu208  1  0.166240  0.227748  0.713478  1
  Cu  Cu209  1  0.567758  0.756439  0.702163  1
  Cu  Cu210  1  0.234425  0.756439  0.702163  1
  Cu  Cu211  1  0.906090  0.966225  0.718976  1
  Cu  Cu212  1  0.572756  0.966225  0.718976  1
  Cu  Cu213  1  0.978416  0.491585  0.707398  1
  Cu  Cu214  1  0.239423  0.966225  0.718976  1
  Cu  Cu215  1  0.645082  0.491585  0.707398  1
  Cu  Cu216  1  0.311749  0.491585  0.707398  1
