# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.25308630
_cell_length_b   11.35230849
_cell_length_c   46.83859388
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.77274605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5717.53726332
_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  0.385340  0.205672  0.290690  1
  Cu  Cu2  1  0.052006  0.205672  0.290690  1
  Cu  Cu3  1  0.983015  0.730822  0.279247  1
  Cu  Cu4  1  0.718673  0.205672  0.290690  1
  Cu  Cu5  1  0.649681  0.730822  0.279247  1
  Cu  Cu6  1  0.316348  0.730822  0.279247  1
  Cu  Cu7  1  0.198207  0.940779  0.295770  1
  Cu  Cu8  1  0.864874  0.940779  0.295770  1
  Cu  Cu9  1  0.794141  0.469189  0.284693  1
  Cu  Cu10  1  0.531541  0.940779  0.295770  1
  Cu  Cu11  1  0.460807  0.469189  0.284693  1
  Cu  Cu12  1  0.127474  0.469189  0.284693  1
  Cu  Cu13  1  0.189918  0.149608  0.313430  1
  Cu  Cu14  1  0.856585  0.149608  0.313430  1
  Cu  Cu15  1  0.786907  0.675848  0.301747  1
  Cu  Cu16  1  0.523251  0.149608  0.313430  1
  Cu  Cu17  1  0.453573  0.675848  0.301747  1
  Cu  Cu18  1  0.120240  0.675848  0.301747  1
  Cu  Cu19  1  1.003659  0.886912  0.319660  1
  Cu  Cu20  1  0.670326  0.886912  0.319660  1
  Cu  Cu21  1  0.600080  0.413693  0.307403  1
  Cu  Cu22  1  0.336992  0.886912  0.319660  1
  Cu  Cu23  1  0.266747  0.413693  0.307403  1
  Cu  Cu24  1  0.933414  0.413693  0.307403  1
  Cu  Cu25  1  0.993139  0.090918  0.338874  1
  Cu  Cu26  1  0.659806  0.090918  0.338874  1
  Cu  Cu27  1  0.591668  0.619870  0.326930  1
  Cu  Cu28  1  0.326473  0.090918  0.338874  1
  Cu  Cu29  1  0.258335  0.619870  0.326930  1
  Cu  Cu30  1  0.925001  0.619870  0.326930  1
  Cu  Cu31  1  0.806477  0.826607  0.344580  1
  Cu  Cu32  1  0.473144  0.826607  0.344580  1
  Cu  Cu33  1  0.404077  0.355356  0.332872  1
  Cu  Cu34  1  0.139811  0.826607  0.344580  1
  Cu  Cu35  1  0.070744  0.355356  0.332872  1
  Cu  Cu36  1  0.737410  0.355356  0.332872  1
  Cu  Cu37  1  0.798175  0.033914  0.363493  1
  Cu  Cu38  1  0.464842  0.033914  0.363493  1
  Cu  Cu39  1  0.395613  0.561587  0.351184  1
  Cu  Cu40  1  0.131509  0.033914  0.363493  1
  Cu  Cu41  1  0.062280  0.561587  0.351184  1
  Cu  Cu42  1  0.728946  0.561587  0.351184  1
  Cu  Cu43  1  0.611412  0.770160  0.369891  1
  Cu  Cu44  1  0.278079  0.770160  0.369891  1
  Cu  Cu45  1  0.208299  0.297523  0.357166  1
  Cu  Cu46  1  0.944745  0.770160  0.369891  1
  Cu  Cu47  1  0.874966  0.297523  0.357166  1
  Cu  Cu48  1  0.541633  0.297523  0.357166  1
  Cu  Cu49  1  0.602098  0.976100  0.388731  1
  Cu  Cu50  1  0.268764  0.976100  0.388731  1
  Cu  Cu51  1  0.200256  0.504842  0.376495  1
  Cu  Cu52  1  0.935431  0.976100  0.388731  1
  Cu  Cu53  1  0.866923  0.504842  0.376495  1
  Cu  Cu54  1  0.533589  0.504842  0.376495  1
  Cu  Cu55  1  0.415798  0.711926  0.394945  1
  Cu  Cu56  1  0.082465  0.711926  0.394945  1
  Cu  Cu57  1  0.013281  0.240504  0.382613  1
  Cu  Cu58  1  0.749131  0.711926  0.394945  1
  Cu  Cu59  1  0.679947  0.240504  0.382613  1
  Cu  Cu60  1  0.346614  0.240504  0.382613  1
  Cu  Cu61  1  0.406650  0.918743  0.413865  1
  Cu  Cu62  1  0.073317  0.918743  0.413865  1
  Cu  Cu63  1  1.004272  0.447048  0.401351  1
  Cu  Cu64  1  0.739984  0.918743  0.413865  1
  Cu  Cu65  1  0.670938  0.447048  0.401351  1
  Cu  Cu66  1  0.337605  0.447048  0.401351  1
  Cu  Cu67  1  0.220324  0.654388  0.420173  1
  Cu  Cu68  1  0.886991  0.654388  0.420173  1
  Cu  Cu69  1  0.817870  0.182860  0.407565  1
  Cu  Cu70  1  0.553657  0.654388  0.420173  1
  Cu  Cu71  1  0.484536  0.182860  0.407565  1
  Cu  Cu72  1  0.151203  0.182860  0.407565  1
  Cu  Cu73  1  0.211036  0.860996  0.438961  1
  Cu  Cu74  1  0.877703  0.860996  0.438961  1
  Cu  Cu75  1  0.808802  0.389697  0.426544  1
  Cu  Cu76  1  0.544369  0.860996  0.438961  1
  Cu  Cu77  1  0.475469  0.389697  0.426544  1
  Cu  Cu78  1  0.142135  0.389697  0.426544  1
  Cu  Cu79  1  0.024773  0.596603  0.445238  1
  Cu  Cu80  1  0.691440  0.596603  0.445238  1
  Cu  Cu81  1  0.622487  0.125295  0.432745  1
  Cu  Cu82  1  0.358106  0.596603  0.445238  1
  Cu  Cu83  1  0.289154  0.125295  0.432745  1
  Cu  Cu84  1  0.955820  0.125295  0.432745  1
  Cu  Cu85  1  0.015587  0.803434  0.464110  1
  Cu  Cu86  1  0.682254  0.803434  0.464110  1
  Cu  Cu87  1  0.613272  0.332061  0.451570  1
  Cu  Cu88  1  0.348921  0.803434  0.464110  1
  Cu  Cu89  1  0.279939  0.332061  0.451570  1
  Cu  Cu90  1  0.946606  0.332061  0.451570  1
  Cu  Cu91  1  0.829297  0.539031  0.470399  1
  Cu  Cu92  1  0.495963  0.539031  0.470399  1
  Cu  Cu93  1  0.427009  0.067738  0.457849  1
  Cu  Cu94  1  0.162630  0.539031  0.470399  1
  Cu  Cu95  1  0.093675  0.067738  0.457849  1
  Cu  Cu96  1  0.760342  0.067738  0.457849  1
  Cu  Cu97  1  0.820080  0.745782  0.489205  1
  Cu  Cu98  1  0.486747  0.745782  0.489205  1
  Cu  Cu99  1  0.417799  0.274507  0.476697  1
  Cu  Cu100  1  0.153414  0.745782  0.489205  1
  Cu  Cu101  1  0.084466  0.274507  0.476697  1
  Cu  Cu102  1  0.751132  0.274507  0.476697  1
  Cu  Cu103  1  0.633798  0.481384  0.495492  1
  Cu  Cu104  1  0.300465  0.481384  0.495492  1
  Cu  Cu105  1  0.231519  0.010097  0.482958  1
  Cu  Cu106  1  0.967132  0.481384  0.495492  1
  Cu  Cu107  1  0.898186  0.010097  0.482958  1
  Cu  Cu108  1  0.564853  0.010097  0.482958  1
  Cu  Cu109  1  0.624621  0.688213  0.514340  1
  Cu  Cu110  1  0.291288  0.688213  0.514340  1
  Cu  Cu111  1  0.222342  0.216926  0.501806  1
  Cu  Cu112  1  0.957955  0.688213  0.514340  1
  Cu  Cu113  1  0.889009  0.216926  0.501806  1
  Cu  Cu114  1  0.555676  0.216926  0.501806  1
  Cu  Cu115  1  0.438341  0.423803  0.520601  1
  Cu  Cu116  1  0.105008  0.423803  0.520601  1
  Cu  Cu117  1  0.036060  0.952528  0.508093  1
  Cu  Cu118  1  0.771675  0.423803  0.520601  1
  Cu  Cu119  1  0.702727  0.952528  0.508093  1
  Cu  Cu120  1  0.369394  0.952528  0.508093  1
  Cu  Cu121  1  0.429132  0.630572  0.539449  1
  Cu  Cu122  1  0.095799  0.630572  0.539449  1
  Cu  Cu123  1  0.026844  0.159279  0.526899  1
  Cu  Cu124  1  0.762465  0.630572  0.539449  1
  Cu  Cu125  1  0.693510  0.159279  0.526899  1
  Cu  Cu126  1  0.360177  0.159279  0.526899  1
  Cu  Cu127  1  0.242868  0.366249  0.545728  1
  Cu  Cu128  1  0.909535  0.366249  0.545728  1
  Cu  Cu129  1  0.840553  0.894876  0.533189  1
  Cu  Cu130  1  0.576202  0.366249  0.545728  1
  Cu  Cu131  1  0.507220  0.894876  0.533189  1
  Cu  Cu132  1  0.173887  0.894876  0.533189  1
  Cu  Cu133  1  0.233654  0.573015  0.564553  1
  Cu  Cu134  1  0.900320  0.573015  0.564553  1
  Cu  Cu135  1  0.831367  0.101707  0.552060  1
  Cu  Cu136  1  0.566987  0.573015  0.564553  1
  Cu  Cu137  1  0.498034  0.101707  0.552060  1
  Cu  Cu138  1  0.164701  0.101707  0.552060  1
  Cu  Cu139  1  0.047339  0.308613  0.570755  1
  Cu  Cu140  1  0.714005  0.308613  0.570755  1
  Cu  Cu141  1  0.645104  0.837314  0.558337  1
  Cu  Cu142  1  0.380672  0.308613  0.570755  1
  Cu  Cu143  1  0.311771  0.837314  0.558337  1
  Cu  Cu144  1  0.978438  0.837314  0.558337  1
  Cu  Cu145  1  0.038271  0.515450  0.589734  1
  Cu  Cu146  1  0.704937  0.515450  0.589734  1
  Cu  Cu147  1  0.635817  0.043922  0.577125  1
  Cu  Cu148  1  0.371604  0.515450  0.589734  1
  Cu  Cu149  1  0.302483  0.043922  0.577125  1
  Cu  Cu150  1  0.969150  0.043922  0.577125  1
  Cu  Cu151  1  0.851869  0.251262  0.595948  1
  Cu  Cu152  1  0.518536  0.251262  0.595948  1
  Cu  Cu153  1  0.449490  0.779566  0.583433  1
  Cu  Cu154  1  0.185202  0.251262  0.595948  1
  Cu  Cu155  1  0.116157  0.779566  0.583433  1
  Cu  Cu156  1  0.782823  0.779566  0.583433  1
  Cu  Cu157  1  0.842860  0.457806  0.614686  1
  Cu  Cu158  1  0.509527  0.457806  0.614686  1
  Cu  Cu159  1  0.440342  0.986384  0.602354  1
  Cu  Cu160  1  0.176193  0.457806  0.614686  1
  Cu  Cu161  1  0.107009  0.986384  0.602354  1
  Cu  Cu162  1  0.773676  0.986384  0.602354  1
  Cu  Cu163  1  0.655885  0.193468  0.620803  1
  Cu  Cu164  1  0.322551  0.193468  0.620803  1
  Cu  Cu165  1  0.254043  0.722210  0.608568  1
  Cu  Cu166  1  0.989218  0.193468  0.620803  1
  Cu  Cu167  1  0.920709  0.722210  0.608568  1
  Cu  Cu168  1  0.587376  0.722210  0.608568  1
  Cu  Cu169  1  0.647841  0.400787  0.640132  1
  Cu  Cu170  1  0.314508  0.400787  0.640132  1
  Cu  Cu171  1  0.244728  0.928150  0.627407  1
  Cu  Cu172  1  0.981175  0.400787  0.640132  1
  Cu  Cu173  1  0.911395  0.928150  0.627407  1
  Cu  Cu174  1  0.578062  0.928150  0.627407  1
  Cu  Cu175  1  0.460528  0.136723  0.646115  1
  Cu  Cu176  1  0.127194  0.136723  0.646115  1
  Cu  Cu177  1  0.057965  0.664396  0.633805  1
  Cu  Cu178  1  0.793861  0.136723  0.646115  1
  Cu  Cu179  1  0.724632  0.664396  0.633805  1
  Cu  Cu180  1  0.391299  0.664396  0.633805  1
  Cu  Cu181  1  0.452064  0.342954  0.664426  1
  Cu  Cu182  1  0.118730  0.342954  0.664426  1
  Cu  Cu183  1  0.049663  0.871703  0.652718  1
  Cu  Cu184  1  0.785397  0.342954  0.664426  1
  Cu  Cu185  1  0.716330  0.871703  0.652718  1
  Cu  Cu186  1  0.382997  0.871703  0.652718  1
  Cu  Cu187  1  0.264473  0.078440  0.670369  1
  Cu  Cu188  1  0.931139  0.078440  0.670369  1
  Cu  Cu189  1  0.863001  0.607392  0.658424  1
  Cu  Cu190  1  0.597806  0.078440  0.670369  1
  Cu  Cu191  1  0.529668  0.607392  0.658424  1
  Cu  Cu192  1  0.196335  0.607392  0.658424  1
  Cu  Cu193  1  0.256060  0.284617  0.689896  1
  Cu  Cu194  1  0.922727  0.284617  0.689896  1
  Cu  Cu195  1  0.852482  0.811398  0.677638  1
  Cu  Cu196  1  0.589394  0.284617  0.689896  1
  Cu  Cu197  1  0.519148  0.811398  0.677638  1
  Cu  Cu198  1  0.185815  0.811398  0.677638  1
  Cu  Cu199  1  0.069234  0.022462  0.695552  1
  Cu  Cu200  1  0.735901  0.022462  0.695552  1
  Cu  Cu201  1  0.666222  0.548702  0.683868  1
  Cu  Cu202  1  0.402567  0.022462  0.695552  1
  Cu  Cu203  1  0.332889  0.548702  0.683868  1
  Cu  Cu204  1  0.999556  0.548702  0.683868  1
  Cu  Cu205  1  0.062000  0.229121  0.712606  1
  Cu  Cu206  1  0.728666  0.229121  0.712606  1
  Cu  Cu207  1  0.657933  0.757531  0.701528  1
  Cu  Cu208  1  0.395333  0.229121  0.712606  1
  Cu  Cu209  1  0.324600  0.757531  0.701528  1
  Cu  Cu210  1  0.991267  0.757531  0.701528  1
  Cu  Cu211  1  0.873126  0.967487  0.718052  1
  Cu  Cu212  1  0.539793  0.967487  0.718052  1
  Cu  Cu213  1  0.470801  0.492638  0.706608  1
  Cu  Cu214  1  0.206459  0.967487  0.718052  1
  Cu  Cu215  1  0.137468  0.492638  0.706608  1
  Cu  Cu216  1  0.804134  0.492638  0.706608  1
