# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07046102
_cell_length_b   12.98379194
_cell_length_c   47.55736426
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.23181215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5549.38406422
_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  0.124852  0.776419  0.269868  1
  Cu  Cu2  1  0.458186  0.443085  0.269868  1
  Cu  Cu3  1  0.395340  0.771411  0.280492  1
  Cu  Cu4  1  0.791519  0.109752  0.269868  1
  Cu  Cu5  1  0.728674  0.438077  0.280492  1
  Cu  Cu6  1  0.667120  0.762474  0.291834  1
  Cu  Cu7  1  0.062007  0.104744  0.280492  1
  Cu  Cu8  1  1.000453  0.429141  0.291834  1
  Cu  Cu9  1  0.333787  0.095807  0.291834  1
  Cu  Cu10  1  0.127636  0.595120  0.288925  1
  Cu  Cu11  1  0.460969  0.261786  0.288925  1
  Cu  Cu12  1  0.396884  0.594019  0.301281  1
  Cu  Cu13  1  0.794302  0.928453  0.288925  1
  Cu  Cu14  1  0.730217  0.260686  0.301281  1
  Cu  Cu15  1  0.851212  0.605683  0.278345  1
  Cu  Cu16  1  0.063550  0.927352  0.301281  1
  Cu  Cu17  1  0.184545  0.272350  0.278345  1
  Cu  Cu18  1  0.517879  0.939016  0.278345  1
  Cu  Cu19  1  0.936973  0.755327  0.305553  1
  Cu  Cu20  1  0.270306  0.421994  0.305553  1
  Cu  Cu21  1  0.207882  0.749029  0.318959  1
  Cu  Cu22  1  0.603639  0.088660  0.305553  1
  Cu  Cu23  1  0.541216  0.415696  0.318959  1
  Cu  Cu24  1  0.478673  0.744344  0.330883  1
  Cu  Cu25  1  0.874549  0.082362  0.318959  1
  Cu  Cu26  1  0.812007  0.411011  0.330883  1
  Cu  Cu27  1  0.145340  0.077677  0.330883  1
  Cu  Cu28  1  0.936545  0.576988  0.328051  1
  Cu  Cu29  1  0.269878  0.243655  0.328051  1
  Cu  Cu30  1  0.206279  0.571180  0.340373  1
  Cu  Cu31  1  0.603212  0.910322  0.328051  1
  Cu  Cu32  1  0.539612  0.237846  0.340373  1
  Cu  Cu33  1  0.662370  0.584796  0.314808  1
  Cu  Cu34  1  0.872945  0.904513  0.340373  1
  Cu  Cu35  1  0.995703  0.251463  0.314808  1
  Cu  Cu36  1  0.329036  0.918129  0.314808  1
  Cu  Cu37  1  0.748195  0.736068  0.343309  1
  Cu  Cu38  1  0.081528  0.402734  0.343309  1
  Cu  Cu39  1  0.018175  0.729650  0.356463  1
  Cu  Cu40  1  0.414861  0.069401  0.343309  1
  Cu  Cu41  1  0.351509  0.396317  0.356463  1
  Cu  Cu42  1  0.289264  0.723542  0.369445  1
  Cu  Cu43  1  0.684842  0.062984  0.356463  1
  Cu  Cu44  1  0.622598  0.390209  0.369445  1
  Cu  Cu45  1  0.955931  0.056876  0.369445  1
  Cu  Cu46  1  0.745410  0.558464  0.366185  1
  Cu  Cu47  1  0.078743  0.225131  0.366185  1
  Cu  Cu48  1  0.016886  0.551173  0.379207  1
  Cu  Cu49  1  0.412076  0.891798  0.366185  1
  Cu  Cu50  1  0.350219  0.217840  0.379207  1
  Cu  Cu51  1  0.474484  0.565418  0.353323  1
  Cu  Cu52  1  0.683552  0.884506  0.379207  1
  Cu  Cu53  1  0.807817  0.232085  0.353323  1
  Cu  Cu54  1  0.141151  0.898752  0.353323  1
  Cu  Cu55  1  0.559631  0.716920  0.382017  1
  Cu  Cu56  1  0.892964  0.383587  0.382017  1
  Cu  Cu57  1  0.829892  0.709984  0.394814  1
  Cu  Cu58  1  0.226298  0.050253  0.382017  1
  Cu  Cu59  1  0.163225  0.376651  0.394814  1
  Cu  Cu60  1  0.100349  0.703517  0.407748  1
  Cu  Cu61  1  0.496558  0.043317  0.394814  1
  Cu  Cu62  1  0.433683  0.370184  0.407748  1
  Cu  Cu63  1  0.767016  0.036850  0.407748  1
  Cu  Cu64  1  0.557130  0.538531  0.404894  1
  Cu  Cu65  1  0.890463  0.205198  0.404894  1
  Cu  Cu66  1  0.827672  0.531747  0.417736  1
  Cu  Cu67  1  0.223797  0.871865  0.404894  1
  Cu  Cu68  1  0.161005  0.198414  0.417736  1
  Cu  Cu69  1  0.286827  0.544868  0.392071  1
  Cu  Cu70  1  0.494338  0.865081  0.417736  1
  Cu  Cu71  1  0.620161  0.211535  0.392071  1
  Cu  Cu72  1  0.953494  0.878202  0.392071  1
  Cu  Cu73  1  0.370962  0.697034  0.420626  1
  Cu  Cu74  1  0.704296  0.363700  0.420626  1
  Cu  Cu75  1  0.641392  0.690444  0.433393  1
  Cu  Cu76  1  0.037629  0.030367  0.420626  1
  Cu  Cu77  1  0.974725  0.357110  0.433393  1
  Cu  Cu78  1  0.911809  0.683798  0.446222  1
  Cu  Cu79  1  0.308059  0.023777  0.433393  1
  Cu  Cu80  1  0.245142  0.350464  0.446222  1
  Cu  Cu81  1  0.578475  0.017131  0.446222  1
  Cu  Cu82  1  0.368736  0.518538  0.443532  1
  Cu  Cu83  1  0.702070  0.185205  0.443532  1
  Cu  Cu84  1  0.639177  0.512013  0.456367  1
  Cu  Cu85  1  0.035403  0.851872  0.443532  1
  Cu  Cu86  1  0.972510  0.178680  0.456367  1
  Cu  Cu87  1  0.098247  0.525055  0.430680  1
  Cu  Cu88  1  0.305844  0.845346  0.456367  1
  Cu  Cu89  1  0.431580  0.191722  0.430680  1
  Cu  Cu90  1  0.764913  0.858389  0.430680  1
  Cu  Cu91  1  0.182322  0.677244  0.459099  1
  Cu  Cu92  1  0.515656  0.343911  0.459099  1
  Cu  Cu93  1  0.452866  0.670680  0.471961  1
  Cu  Cu94  1  0.848989  0.010577  0.459099  1
  Cu  Cu95  1  0.786200  0.337346  0.471961  1
  Cu  Cu96  1  0.723335  0.664096  0.484784  1
  Cu  Cu97  1  0.119533  0.004013  0.471961  1
  Cu  Cu98  1  0.056668  0.330763  0.484784  1
  Cu  Cu99  1  0.390002  0.997429  0.484784  1
  Cu  Cu100  1  0.180192  0.498784  0.482091  1
  Cu  Cu101  1  0.513525  0.165450  0.482091  1
  Cu  Cu102  1  0.450708  0.492225  0.494951  1
  Cu  Cu103  1  0.846859  0.832117  0.482091  1
  Cu  Cu104  1  0.784041  0.158891  0.494951  1
  Cu  Cu105  1  0.909626  0.505388  0.469214  1
  Cu  Cu106  1  0.117375  0.825558  0.494951  1
  Cu  Cu107  1  0.242959  0.172054  0.469214  1
  Cu  Cu108  1  0.576292  0.838721  0.469214  1
  Cu  Cu109  1  0.993792  0.657511  0.497625  1
  Cu  Cu110  1  0.327126  0.324178  0.497625  1
  Cu  Cu111  1  0.264308  0.650952  0.510485  1
  Cu  Cu112  1  0.660459  0.990844  0.497625  1
  Cu  Cu113  1  0.597642  0.317618  0.510485  1
  Cu  Cu114  1  0.534875  0.644348  0.523362  1
  Cu  Cu115  1  0.930975  0.984285  0.510485  1
  Cu  Cu116  1  0.868208  0.311014  0.523362  1
  Cu  Cu117  1  0.201541  0.977681  0.523362  1
  Cu  Cu118  1  0.991634  0.479056  0.520615  1
  Cu  Cu119  1  0.324967  0.145723  0.520615  1
  Cu  Cu120  1  0.262178  0.472492  0.533477  1
  Cu  Cu121  1  0.658301  0.812389  0.520615  1
  Cu  Cu122  1  0.595511  0.139158  0.533477  1
  Cu  Cu123  1  0.721165  0.485640  0.507792  1
  Cu  Cu124  1  0.928845  0.805825  0.533477  1
  Cu  Cu125  1  0.054499  0.152306  0.507792  1
  Cu  Cu126  1  0.387832  0.818973  0.507792  1
  Cu  Cu127  1  0.805323  0.637722  0.536209  1
  Cu  Cu128  1  0.138656  0.304389  0.536209  1
  Cu  Cu129  1  0.075764  0.631197  0.549044  1
  Cu  Cu130  1  0.471990  0.971056  0.536209  1
  Cu  Cu131  1  0.409097  0.297864  0.549044  1
  Cu  Cu132  1  0.346253  0.624680  0.561896  1
  Cu  Cu133  1  0.742431  0.964530  0.549044  1
  Cu  Cu134  1  0.679587  0.291347  0.561896  1
  Cu  Cu135  1  0.012920  0.958013  0.561896  1
  Cu  Cu136  1  0.803108  0.459292  0.559183  1
  Cu  Cu137  1  0.136442  0.125959  0.559183  1
  Cu  Cu138  1  0.073538  0.452702  0.571950  1
  Cu  Cu139  1  0.469775  0.792625  0.559183  1
  Cu  Cu140  1  0.406871  0.119369  0.571950  1
  Cu  Cu141  1  0.532691  0.465938  0.546354  1
  Cu  Cu142  1  0.740205  0.786035  0.571950  1
  Cu  Cu143  1  0.866025  0.132605  0.546354  1
  Cu  Cu144  1  0.199358  0.799271  0.546354  1
  Cu  Cu145  1  0.616829  0.617988  0.574840  1
  Cu  Cu146  1  0.950162  0.284655  0.574840  1
  Cu  Cu147  1  0.887370  0.611204  0.587682  1
  Cu  Cu148  1  0.283495  0.951321  0.574840  1
  Cu  Cu149  1  0.220704  0.277871  0.587682  1
  Cu  Cu150  1  0.157673  0.604867  0.600505  1
  Cu  Cu151  1  0.554037  0.944537  0.587682  1
  Cu  Cu152  1  0.491006  0.271534  0.600505  1
  Cu  Cu153  1  0.824340  0.938200  0.600505  1
  Cu  Cu154  1  0.614608  0.439752  0.597762  1
  Cu  Cu155  1  0.947942  0.106418  0.597762  1
  Cu  Cu156  1  0.884869  0.432816  0.610559  1
  Cu  Cu157  1  0.281275  0.773085  0.597762  1
  Cu  Cu158  1  0.218203  0.099482  0.610559  1
  Cu  Cu159  1  0.344151  0.446219  0.584828  1
  Cu  Cu160  1  0.551536  0.766149  0.610559  1
  Cu  Cu161  1  0.677484  0.112885  0.584828  1
  Cu  Cu162  1  0.010818  0.779552  0.584828  1
  Cu  Cu163  1  0.427614  0.598562  0.613369  1
  Cu  Cu164  1  0.760948  0.265229  0.613369  1
  Cu  Cu165  1  0.699091  0.591271  0.626391  1
  Cu  Cu166  1  0.094281  0.931896  0.613369  1
  Cu  Cu167  1  0.032424  0.257938  0.626391  1
  Cu  Cu168  1  0.970016  0.584317  0.639253  1
  Cu  Cu169  1  0.365757  0.924604  0.626391  1
  Cu  Cu170  1  0.303350  0.250984  0.639253  1
  Cu  Cu171  1  0.636683  0.917651  0.639253  1
  Cu  Cu172  1  0.426325  0.420085  0.636113  1
  Cu  Cu173  1  0.759658  0.086752  0.636113  1
  Cu  Cu174  1  0.696305  0.413668  0.649267  1
  Cu  Cu175  1  0.092992  0.753418  0.636113  1
  Cu  Cu176  1  0.029639  0.080334  0.649267  1
  Cu  Cu177  1  0.155236  0.426193  0.623131  1
  Cu  Cu178  1  0.362972  0.747001  0.649267  1
  Cu  Cu179  1  0.488569  0.092860  0.623131  1
  Cu  Cu180  1  0.821902  0.759526  0.623131  1
  Cu  Cu181  1  0.238222  0.578556  0.652203  1
  Cu  Cu182  1  0.571555  0.245222  0.652203  1
  Cu  Cu183  1  0.507955  0.572747  0.664525  1
  Cu  Cu184  1  0.904888  0.911889  0.652203  1
  Cu  Cu185  1  0.841289  0.239414  0.664525  1
  Cu  Cu186  1  0.782131  0.564939  0.677768  1
  Cu  Cu187  1  0.174622  0.906081  0.664525  1
  Cu  Cu188  1  0.115464  0.231606  0.677768  1
  Cu  Cu189  1  0.448797  0.898273  0.677768  1
  Cu  Cu190  1  0.236618  0.400706  0.673617  1
  Cu  Cu191  1  0.569951  0.067373  0.673617  1
  Cu  Cu192  1  0.507527  0.394408  0.687023  1
  Cu  Cu193  1  0.903285  0.734040  0.673617  1
  Cu  Cu194  1  0.840861  0.061075  0.687023  1
  Cu  Cu195  1  0.965827  0.405392  0.661693  1
  Cu  Cu196  1  0.174194  0.727742  0.687023  1
  Cu  Cu197  1  0.299160  0.072058  0.661693  1
  Cu  Cu198  1  0.632494  0.738725  0.661693  1
  Cu  Cu199  1  0.047616  0.555716  0.691295  1
  Cu  Cu200  1  0.380950  0.222383  0.691295  1
  Cu  Cu201  1  0.316865  0.554616  0.703651  1
  Cu  Cu202  1  0.714283  0.889050  0.691295  1
  Cu  Cu203  1  0.650198  0.221283  0.703651  1
  Cu  Cu204  1  0.593288  0.544052  0.714231  1
  Cu  Cu205  1  0.983531  0.887949  0.703651  1
  Cu  Cu206  1  0.926622  0.210719  0.714231  1
  Cu  Cu207  1  0.259955  0.877386  0.714231  1
  Cu  Cu208  1  0.049160  0.378325  0.712084  1
  Cu  Cu209  1  0.382493  0.044991  0.712084  1
  Cu  Cu210  1  0.319648  0.373317  0.722708  1
  Cu  Cu211  1  0.715827  0.711658  0.712084  1
  Cu  Cu212  1  0.652981  0.039984  0.722708  1
  Cu  Cu213  1  0.777380  0.387261  0.700742  1
  Cu  Cu214  1  0.986315  0.706650  0.722708  1
  Cu  Cu215  1  0.110714  0.053928  0.700742  1
  Cu  Cu216  1  0.444047  0.720595  0.700742  1
