# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.27016928
_cell_length_b   11.36765686
_cell_length_c   46.76392901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   54.22343579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5723.23399291
_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  0.179483  0.204704  0.291278  1
  Cu  Cu2  1  0.846149  0.204704  0.291278  1
  Cu  Cu3  1  0.251846  0.730019  0.279695  1
  Cu  Cu4  1  0.512816  0.204704  0.291278  1
  Cu  Cu5  1  0.918513  0.730019  0.279695  1
  Cu  Cu6  1  0.585180  0.730019  0.279695  1
  Cu  Cu7  1  0.256734  0.939863  0.296520  1
  Cu  Cu8  1  0.923400  0.939863  0.296520  1
  Cu  Cu9  1  0.324934  0.468511  0.285199  1
  Cu  Cu10  1  0.590067  0.939863  0.296520  1
  Cu  Cu11  1  0.991601  0.468511  0.285199  1
  Cu  Cu12  1  0.658267  0.468511  0.285199  1
  Cu  Cu13  1  0.040394  0.148710  0.314435  1
  Cu  Cu14  1  0.707061  0.148710  0.314435  1
  Cu  Cu15  1  0.110954  0.675218  0.302550  1
  Cu  Cu16  1  0.373727  0.148710  0.314435  1
  Cu  Cu17  1  0.777621  0.675218  0.302550  1
  Cu  Cu18  1  0.444287  0.675218  0.302550  1
  Cu  Cu19  1  0.116656  0.885635  0.320521  1
  Cu  Cu20  1  0.783323  0.885635  0.320521  1
  Cu  Cu21  1  0.186362  0.412656  0.308271  1
  Cu  Cu22  1  0.449989  0.885635  0.320521  1
  Cu  Cu23  1  0.853029  0.412656  0.308271  1
  Cu  Cu24  1  0.519695  0.412656  0.308271  1
  Cu  Cu25  1  0.902298  0.090228  0.339670  1
  Cu  Cu26  1  0.568964  0.090228  0.339670  1
  Cu  Cu27  1  0.971761  0.619159  0.327603  1
  Cu  Cu28  1  0.235631  0.090228  0.339670  1
  Cu  Cu29  1  0.638428  0.619159  0.327603  1
  Cu  Cu30  1  0.305094  0.619159  0.327603  1
  Cu  Cu31  1  0.979538  0.826034  0.345467  1
  Cu  Cu32  1  0.646205  0.826034  0.345467  1
  Cu  Cu33  1  0.048507  0.354775  0.333586  1
  Cu  Cu34  1  0.312871  0.826034  0.345467  1
  Cu  Cu35  1  0.715174  0.354775  0.333586  1
  Cu  Cu36  1  0.381840  0.354775  0.333586  1
  Cu  Cu37  1  0.764292  0.033070  0.364405  1
  Cu  Cu38  1  0.430959  0.033070  0.364405  1
  Cu  Cu39  1  0.833888  0.561049  0.352050  1
  Cu  Cu40  1  0.097626  0.033070  0.364405  1
  Cu  Cu41  1  0.500554  0.561049  0.352050  1
  Cu  Cu42  1  0.167221  0.561049  0.352050  1
  Cu  Cu43  1  0.841114  0.769284  0.370749  1
  Cu  Cu44  1  0.507780  0.769284  0.370749  1
  Cu  Cu45  1  0.910531  0.296998  0.358067  1
  Cu  Cu46  1  0.174447  0.769284  0.370749  1
  Cu  Cu47  1  0.577198  0.296998  0.358067  1
  Cu  Cu48  1  0.243864  0.296998  0.358067  1
  Cu  Cu49  1  0.626065  0.975382  0.389614  1
  Cu  Cu50  1  0.292731  0.975382  0.389614  1
  Cu  Cu51  1  0.695392  0.504146  0.377306  1
  Cu  Cu52  1  0.959398  0.975382  0.389614  1
  Cu  Cu53  1  0.362059  0.504146  0.377306  1
  Cu  Cu54  1  0.028726  0.504146  0.377306  1
  Cu  Cu55  1  0.703609  0.711220  0.395819  1
  Cu  Cu56  1  0.370276  0.711220  0.395819  1
  Cu  Cu57  1  0.772519  0.239844  0.383415  1
  Cu  Cu58  1  0.036942  0.711220  0.395819  1
  Cu  Cu59  1  0.439186  0.239844  0.383415  1
  Cu  Cu60  1  0.105853  0.239844  0.383415  1
  Cu  Cu61  1  0.488035  0.917883  0.414756  1
  Cu  Cu62  1  0.154702  0.917883  0.414756  1
  Cu  Cu63  1  0.557257  0.446368  0.402231  1
  Cu  Cu64  1  0.821369  0.917883  0.414756  1
  Cu  Cu65  1  0.223924  0.446368  0.402231  1
  Cu  Cu66  1  0.890591  0.446368  0.402231  1
  Cu  Cu67  1  0.565716  0.653574  0.421027  1
  Cu  Cu68  1  0.232382  0.653574  0.421027  1
  Cu  Cu69  1  0.634750  0.182168  0.408423  1
  Cu  Cu70  1  0.899049  0.653574  0.421027  1
  Cu  Cu71  1  0.301417  0.182168  0.408423  1
  Cu  Cu72  1  0.968083  0.182168  0.408423  1
  Cu  Cu73  1  0.350164  0.860138  0.439861  1
  Cu  Cu74  1  0.016831  0.860138  0.439861  1
  Cu  Cu75  1  0.419205  0.388876  0.427399  1
  Cu  Cu76  1  0.683497  0.860138  0.439861  1
  Cu  Cu77  1  0.085871  0.388876  0.427399  1
  Cu  Cu78  1  0.752538  0.388876  0.427399  1
  Cu  Cu79  1  0.427908  0.595799  0.446108  1
  Cu  Cu80  1  0.094575  0.595799  0.446108  1
  Cu  Cu81  1  0.496905  0.124560  0.433586  1
  Cu  Cu82  1  0.761241  0.595799  0.446108  1
  Cu  Cu83  1  0.163572  0.124560  0.433586  1
  Cu  Cu84  1  0.830238  0.124560  0.433586  1
  Cu  Cu85  1  0.212287  0.802496  0.465010  1
  Cu  Cu86  1  0.878954  0.802496  0.465010  1
  Cu  Cu87  1  0.281307  0.331208  0.452458  1
  Cu  Cu88  1  0.545621  0.802496  0.465010  1
  Cu  Cu89  1  0.947974  0.331208  0.452458  1
  Cu  Cu90  1  0.614641  0.331208  0.452458  1
  Cu  Cu91  1  0.290020  0.538153  0.471262  1
  Cu  Cu92  1  0.956687  0.538153  0.471262  1
  Cu  Cu93  1  0.359001  0.066929  0.458703  1
  Cu  Cu94  1  0.623353  0.538153  0.471262  1
  Cu  Cu95  1  0.025668  0.066929  0.458703  1
  Cu  Cu96  1  0.692334  0.066929  0.458703  1
  Cu  Cu97  1  0.074425  0.744808  0.490115  1
  Cu  Cu98  1  0.741092  0.744808  0.490115  1
  Cu  Cu99  1  0.143400  0.273588  0.477586  1
  Cu  Cu100  1  0.407759  0.744808  0.490115  1
  Cu  Cu101  1  0.810066  0.273588  0.477586  1
  Cu  Cu102  1  0.476733  0.273588  0.477586  1
  Cu  Cu103  1  0.152158  0.480473  0.496367  1
  Cu  Cu104  1  0.818825  0.480473  0.496367  1
  Cu  Cu105  1  0.221140  0.009253  0.483818  1
  Cu  Cu106  1  0.485492  0.480473  0.496367  1
  Cu  Cu107  1  0.887807  0.009253  0.483818  1
  Cu  Cu108  1  0.554473  0.009253  0.483818  1
  Cu  Cu109  1  0.936542  0.687168  0.515252  1
  Cu  Cu110  1  0.603208  0.687168  0.515252  1
  Cu  Cu111  1  0.005523  0.215947  0.502703  1
  Cu  Cu112  1  0.269875  0.687168  0.515252  1
  Cu  Cu113  1  0.672190  0.215947  0.502703  1
  Cu  Cu114  1  0.338856  0.215947  0.502703  1
  Cu  Cu115  1  0.014282  0.422833  0.521484  1
  Cu  Cu116  1  0.680948  0.422833  0.521484  1
  Cu  Cu117  1  0.083256  0.951612  0.508955  1
  Cu  Cu118  1  0.347615  0.422833  0.521484  1
  Cu  Cu119  1  0.749923  0.951612  0.508955  1
  Cu  Cu120  1  0.416590  0.951612  0.508955  1
  Cu  Cu121  1  0.798681  0.629492  0.540367  1
  Cu  Cu122  1  0.465347  0.629492  0.540367  1
  Cu  Cu123  1  0.867662  0.158267  0.527808  1
  Cu  Cu124  1  0.132014  0.629492  0.540367  1
  Cu  Cu125  1  0.534328  0.158267  0.527808  1
  Cu  Cu126  1  0.200995  0.158267  0.527808  1
  Cu  Cu127  1  0.876374  0.365213  0.546612  1
  Cu  Cu128  1  0.543041  0.365213  0.546612  1
  Cu  Cu129  1  0.945394  0.893924  0.534060  1
  Cu  Cu130  1  0.209707  0.365213  0.546612  1
  Cu  Cu131  1  0.612061  0.893924  0.534060  1
  Cu  Cu132  1  0.278727  0.893924  0.534060  1
  Cu  Cu133  1  0.660777  0.571861  0.565484  1
  Cu  Cu134  1  0.327443  0.571861  0.565484  1
  Cu  Cu135  1  0.729773  0.100621  0.552961  1
  Cu  Cu136  1  0.994110  0.571861  0.565484  1
  Cu  Cu137  1  0.396440  0.100621  0.552961  1
  Cu  Cu138  1  0.063107  0.100621  0.552961  1
  Cu  Cu139  1  0.738477  0.307545  0.571671  1
  Cu  Cu140  1  0.405144  0.307545  0.571671  1
  Cu  Cu141  1  0.807517  0.836283  0.559209  1
  Cu  Cu142  1  0.071810  0.307545  0.571671  1
  Cu  Cu143  1  0.474184  0.836283  0.559209  1
  Cu  Cu144  1  0.140851  0.836283  0.559209  1
  Cu  Cu145  1  0.522932  0.514253  0.590647  1
  Cu  Cu146  1  0.189598  0.514253  0.590647  1
  Cu  Cu147  1  0.591966  0.042846  0.578042  1
  Cu  Cu148  1  0.856265  0.514253  0.590647  1
  Cu  Cu149  1  0.258633  0.042846  0.578042  1
  Cu  Cu150  1  0.925299  0.042846  0.578042  1
  Cu  Cu151  1  0.600424  0.250052  0.596839  1
  Cu  Cu152  1  0.267091  0.250052  0.596839  1
  Cu  Cu153  1  0.669646  0.778537  0.584314  1
  Cu  Cu154  1  0.933758  0.250052  0.596839  1
  Cu  Cu155  1  0.336313  0.778537  0.584314  1
  Cu  Cu156  1  0.002979  0.778537  0.584314  1
  Cu  Cu157  1  0.385162  0.456577  0.615655  1
  Cu  Cu158  1  0.051829  0.456577  0.615655  1
  Cu  Cu159  1  0.454073  0.985200  0.603251  1
  Cu  Cu160  1  0.718496  0.456577  0.615655  1
  Cu  Cu161  1  0.120739  0.985200  0.603251  1
  Cu  Cu162  1  0.787406  0.985200  0.603251  1
  Cu  Cu163  1  0.462289  0.192274  0.621763  1
  Cu  Cu164  1  0.128956  0.192274  0.621763  1
  Cu  Cu165  1  0.531617  0.721038  0.609455  1
  Cu  Cu166  1  0.795623  0.192274  0.621763  1
  Cu  Cu167  1  0.198284  0.721038  0.609455  1
  Cu  Cu168  1  0.864950  0.721038  0.609455  1
  Cu  Cu169  1  0.247151  0.399422  0.641003  1
  Cu  Cu170  1  0.913817  0.399422  0.641003  1
  Cu  Cu171  1  0.316568  0.927136  0.628321  1
  Cu  Cu172  1  0.580484  0.399422  0.641003  1
  Cu  Cu173  1  0.983234  0.927136  0.628321  1
  Cu  Cu174  1  0.649901  0.927136  0.628321  1
  Cu  Cu175  1  0.323794  0.135372  0.647020  1
  Cu  Cu176  1  0.990461  0.135372  0.647020  1
  Cu  Cu177  1  0.393389  0.663350  0.634664  1
  Cu  Cu178  1  0.657127  0.135372  0.647020  1
  Cu  Cu179  1  0.060056  0.663350  0.634664  1
  Cu  Cu180  1  0.726723  0.663350  0.634664  1
  Cu  Cu181  1  0.109174  0.341646  0.665484  1
  Cu  Cu182  1  0.775841  0.341646  0.665484  1
  Cu  Cu183  1  0.178144  0.870386  0.653603  1
  Cu  Cu184  1  0.442508  0.341646  0.665484  1
  Cu  Cu185  1  0.844810  0.870386  0.653603  1
  Cu  Cu186  1  0.511477  0.870386  0.653603  1
  Cu  Cu187  1  0.185921  0.077262  0.671467  1
  Cu  Cu188  1  0.852587  0.077262  0.671467  1
  Cu  Cu189  1  0.255384  0.606192  0.659400  1
  Cu  Cu190  1  0.519254  0.077262  0.671467  1
  Cu  Cu191  1  0.922051  0.606192  0.659400  1
  Cu  Cu192  1  0.588717  0.606192  0.659400  1
  Cu  Cu193  1  0.971320  0.283764  0.690799  1
  Cu  Cu194  1  0.637986  0.283764  0.690799  1
  Cu  Cu195  1  0.041026  0.810785  0.678549  1
  Cu  Cu196  1  0.304653  0.283764  0.690799  1
  Cu  Cu197  1  0.707692  0.810785  0.678549  1
  Cu  Cu198  1  0.374359  0.810785  0.678549  1
  Cu  Cu199  1  0.046727  0.021202  0.696520  1
  Cu  Cu200  1  0.713394  0.021202  0.696520  1
  Cu  Cu201  1  0.117287  0.547710  0.684635  1
  Cu  Cu202  1  0.380061  0.021202  0.696520  1
  Cu  Cu203  1  0.783954  0.547710  0.684635  1
  Cu  Cu204  1  0.450621  0.547710  0.684635  1
  Cu  Cu205  1  0.832748  0.227909  0.713870  1
  Cu  Cu206  1  0.499414  0.227909  0.713870  1
  Cu  Cu207  1  0.900948  0.756558  0.702550  1
  Cu  Cu208  1  0.166081  0.227909  0.713870  1
  Cu  Cu209  1  0.567615  0.756558  0.702550  1
  Cu  Cu210  1  0.234281  0.756558  0.702550  1
  Cu  Cu211  1  0.905835  0.966402  0.719375  1
  Cu  Cu212  1  0.572502  0.966402  0.719375  1
  Cu  Cu213  1  0.978199  0.491717  0.707792  1
  Cu  Cu214  1  0.239169  0.966402  0.719375  1
  Cu  Cu215  1  0.644865  0.491717  0.707792  1
  Cu  Cu216  1  0.311532  0.491717  0.707792  1
