# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40256113
_cell_length_b   10.40172660
_cell_length_c   46.09461226
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu180
_cell_volume   4745.67770599
_cell_formula_units_Z   180
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  0.778526  0.111945  0.286789  1
  Cu  Cu2  1  0.107955  0.775284  0.287841  1
  Cu  Cu3  1  0.024835  0.021741  0.313121  1
  Cu  Cu4  1  0.401119  0.068451  0.301646  1
  Cu  Cu5  1  0.738283  0.732739  0.301891  1
  Cu  Cu6  1  0.065400  0.405623  0.301884  1
  Cu  Cu7  1  0.444614  0.445860  0.286791  1
  Cu  Cu8  1  0.354412  0.692163  0.313119  1
  Cu  Cu9  1  0.686289  0.353615  0.312357  1
  Cu  Cu10  1  0.632988  0.961910  0.280715  1
  Cu  Cu11  1  0.833011  0.500330  0.320830  1
  Cu  Cu12  1  0.873178  0.885361  0.308012  1
  Cu  Cu13  1  0.255739  0.923077  0.293099  1
  Cu  Cu14  1  0.590176  0.590567  0.295167  1
  Cu  Cu15  1  0.923234  0.257504  0.295166  1
  Cu  Cu16  1  0.294581  0.300325  0.280716  1
  Cu  Cu17  1  0.218034  0.540506  0.308015  1
  Cu  Cu18  1  0.542293  0.209615  0.305076  1
  Cu  Cu19  1  0.653198  0.991354  0.330568  1
  Cu  Cu20  1  0.985198  0.652523  0.325805  1
  Cu  Cu21  1  0.909851  0.914996  0.359782  1
  Cu  Cu22  1  0.284289  0.951607  0.343369  1
  Cu  Cu23  1  0.618685  0.623623  0.345443  1
  Cu  Cu24  1  0.956314  0.285986  0.345442  1
  Cu  Cu25  1  0.324052  0.320511  0.330569  1
  Cu  Cu26  1  0.247698  0.577148  0.359785  1
  Cu  Cu27  1  0.576777  0.244079  0.357719  1
  Cu  Cu28  1  0.505860  0.839178  0.318821  1
  Cu  Cu29  1  0.723044  0.390344  0.365132  1
  Cu  Cu30  1  0.769737  0.765037  0.352222  1
  Cu  Cu31  1  0.134609  0.801913  0.337613  1
  Cu  Cu32  1  0.471902  0.474541  0.337248  1
  Cu  Cu33  1  0.807220  0.139213  0.337247  1
  Cu  Cu34  1  0.171851  0.173197  0.318820  1
  Cu  Cu35  1  0.097735  0.437034  0.352217  1
  Cu  Cu36  1  0.430074  0.097370  0.352866  1
  Cu  Cu37  1  0.539924  0.870709  0.373135  1
  Cu  Cu38  1  0.869436  0.536719  0.373473  1
  Cu  Cu39  1  0.796418  0.794180  0.404992  1
  Cu  Cu40  1  0.164752  0.832029  0.390117  1
  Cu  Cu41  1  0.501296  0.502663  0.389853  1
  Cu  Cu42  1  0.835369  0.168583  0.389852  1
  Cu  Cu43  1  0.203416  0.207218  0.373134  1
  Cu  Cu44  1  0.126899  0.463694  0.404988  1
  Cu  Cu45  1  0.458917  0.126190  0.405494  1
  Cu  Cu46  1  0.389521  0.727179  0.365958  1
  Cu  Cu47  1  0.605687  0.272962  0.411455  1
  Cu  Cu48  1  0.648063  0.649431  0.398066  1
  Cu  Cu49  1  0.017323  0.684615  0.380009  1
  Cu  Cu50  1  0.354341  0.352318  0.382944  1
  Cu  Cu51  1  0.685032  0.021623  0.382942  1
  Cu  Cu52  1  0.059877  0.056817  0.365960  1
  Cu  Cu53  1  0.982148  0.315335  0.398066  1
  Cu  Cu54  1  0.313033  0.980315  0.396262  1
  Cu  Cu55  1  0.419737  0.755955  0.419776  1
  Cu  Cu56  1  0.752041  0.419312  0.419124  1
  Cu  Cu57  1  0.675949  0.676809  0.451146  1
  Cu  Cu58  1  0.046279  0.713546  0.433983  1
  Cu  Cu59  1  0.382774  0.381415  0.435965  1
  Cu  Cu60  1  0.714152  0.050032  0.435963  1
  Cu  Cu61  1  0.088688  0.087007  0.419779  1
  Cu  Cu62  1  0.009553  0.343198  0.451146  1
  Cu  Cu63  1  0.341075  0.008333  0.449583  1
  Cu  Cu64  1  0.275813  0.606866  0.412978  1
  Cu  Cu65  1  0.487378  0.154627  0.458444  1
  Cu  Cu66  1  0.528969  0.530372  0.443017  1
  Cu  Cu67  1  0.898770  0.566031  0.427121  1
  Cu  Cu68  1  0.233147  0.236473  0.427305  1
  Cu  Cu69  1  0.569201  0.900411  0.427306  1
  Cu  Cu70  1  0.939595  0.943091  0.412976  1
  Cu  Cu71  1  0.863109  0.196227  0.443016  1
  Cu  Cu72  1  0.193441  0.860693  0.443095  1
  Cu  Cu73  1  0.304009  0.636020  0.466283  1
  Cu  Cu74  1  0.634417  0.301665  0.464897  1
  Cu  Cu75  1  0.557150  0.558763  0.496307  1
  Cu  Cu76  1  0.927845  0.595081  0.480582  1
  Cu  Cu77  1  0.262443  0.265065  0.481110  1
  Cu  Cu78  1  0.597819  0.929682  0.481111  1
  Cu  Cu79  1  0.968776  0.971260  0.466282  1
  Cu  Cu80  1  0.891525  0.224382  0.496307  1
  Cu  Cu81  1  0.221766  0.888995  0.496304  1
  Cu  Cu82  1  0.155617  0.491048  0.458201  1
  Cu  Cu83  1  0.369141  0.036374  0.502927  1
  Cu  Cu84  1  0.411323  0.410184  0.489162  1
  Cu  Cu85  1  0.780982  0.448225  0.472884  1
  Cu  Cu86  1  0.117585  0.116109  0.473436  1
  Cu  Cu87  1  0.448863  0.784827  0.473433  1
  Cu  Cu88  1  0.823797  0.822873  0.458204  1
  Cu  Cu89  1  0.742946  0.078556  0.489161  1
  Cu  Cu90  1  0.074944  0.742183  0.487528  1
  Cu  Cu91  1  0.184343  0.519253  0.511492  1
  Cu  Cu92  1  0.515660  0.182883  0.511638  1
  Cu  Cu93  1  0.440145  0.438601  0.542454  1
  Cu  Cu94  1  0.809720  0.476935  0.526582  1
  Cu  Cu95  1  0.146467  0.145070  0.527038  1
  Cu  Cu96  1  0.477848  0.813684  0.527035  1
  Cu  Cu97  1  0.852028  0.851573  0.511494  1
  Cu  Cu98  1  0.771388  0.107354  0.542451  1
  Cu  Cu99  1  0.103322  0.770535  0.540718  1
  Cu  Cu100  1  0.037645  0.371643  0.504408  1
  Cu  Cu101  1  0.249837  0.917039  0.549571  1
  Cu  Cu102  1  0.291314  0.293920  0.534785  1
  Cu  Cu103  1  0.662970  0.330194  0.518164  1
  Cu  Cu104  1  0.997589  1.000001  0.519779  1
  Cu  Cu105  1  0.332776  0.664807  0.519780  1
  Cu  Cu106  1  0.704419  0.704876  0.504409  1
  Cu  Cu107  1  0.626699  0.958527  0.534785  1
  Cu  Cu108  1  0.956592  0.623804  0.534010  1
  Cu  Cu109  1  0.065691  0.400174  0.557744  1
  Cu  Cu110  1  0.397164  0.064374  0.556104  1
  Cu  Cu111  1  0.320185  0.322996  0.588496  1
  Cu  Cu112  1  0.691530  0.358729  0.571231  1
  Cu  Cu113  1  0.026358  0.029205  0.573499  1
  Cu  Cu114  1  0.362008  0.693547  0.573499  1
  Cu  Cu115  1  0.732974  0.732896  0.557744  1
  Cu  Cu116  1  0.655799  0.987372  0.588497  1
  Cu  Cu117  1  0.985304  0.652492  0.587451  1
  Cu  Cu118  1  0.920146  0.252528  0.549615  1
  Cu  Cu119  1  0.131376  0.798560  0.593480  1
  Cu  Cu120  1  0.175755  0.174083  0.580638  1
  Cu  Cu121  1  0.543771  0.210968  0.564917  1
  Cu  Cu122  1  0.880492  0.880296  0.564698  1
  Cu  Cu123  1  0.213089  0.547692  0.564696  1
  Cu  Cu124  1  0.585322  0.587357  0.549615  1
  Cu  Cu125  1  0.506883  0.842950  0.580634  1
  Cu  Cu126  1  0.838415  0.505605  0.580442  1
  Cu  Cu127  1  0.949157  0.280066  0.602816  1
  Cu  Cu128  1  0.277295  0.944473  0.602684  1
  Cu  Cu129  1  0.205184  0.203312  0.634413  1
  Cu  Cu130  1  0.571320  0.238487  0.618183  1
  Cu  Cu131  1  0.909136  0.909118  0.617681  1
  Cu  Cu132  1  0.241939  0.576306  0.617679  1
  Cu  Cu133  1  0.612883  0.616350  0.602813  1
  Cu  Cu134  1  0.536136  0.872359  0.634409  1
  Cu  Cu135  1  0.868227  0.535396  0.634700  1
  Cu  Cu136  1  0.799450  0.136608  0.595726  1
  Cu  Cu137  1  0.015187  0.682344  0.641004  1
  Cu  Cu138  1  0.055394  0.058732  0.627583  1
  Cu  Cu139  1  0.424545  0.091734  0.609045  1
  Cu  Cu140  1  0.761317  0.760700  0.610984  1
  Cu  Cu141  1  0.093518  0.428493  0.610983  1
  Cu  Cu142  1  0.469426  0.466637  0.595730  1
  Cu  Cu143  1  0.391558  0.722558  0.627583  1
  Cu  Cu144  1  0.720486  0.387671  0.624058  1
  Cu  Cu145  1  0.827559  0.166197  0.648965  1
  Cu  Cu146  1  0.159613  0.826774  0.645842  1
  Cu  Cu147  1  0.087250  0.092020  0.681727  1
  Cu  Cu148  1  0.452308  0.119463  0.661541  1
  Cu  Cu149  1  0.792312  0.786981  0.663713  1
  Cu  Cu150  1  0.119829  0.459452  0.663712  1
  Cu  Cu151  1  0.499032  0.494728  0.648970  1
  Cu  Cu152  1  0.424873  0.754383  0.681727  1
  Cu  Cu153  1  0.752522  0.419690  0.676391  1
  Cu  Cu154  1  0.685775  0.015672  0.642410  1
  Cu  Cu155  1  0.900633  0.567761  0.689172  1
  Cu  Cu156  1  0.939809  0.938720  0.670124  1
  Cu  Cu157  1  0.304786  0.971940  0.655165  1
  Cu  Cu158  1  0.640027  0.646272  0.655669  1
  Cu  Cu159  1  0.979095  0.307194  0.655673  1
  Cu  Cu160  1  0.348515  0.352937  0.642409  1
  Cu  Cu161  1  0.271557  0.606955  0.670124  1
  Cu  Cu162  1  0.600972  0.268117  0.670932  1
  Cu  Cu163  1  0.721557  0.051676  0.695139  1
  Cu  Cu164  1  0.049027  0.716171  0.693949  1
  Cu  Cu165  1  0.965966  0.965692  0.719895  1
  Cu  Cu166  1  0.337349  0.004479  0.705037  1
  Cu  Cu167  1  0.670436  0.675261  0.706398  1
  Cu  Cu168  1  0.008138  0.337563  0.706404  1
  Cu  Cu169  1  0.384545  0.388692  0.695139  1
  Cu  Cu170  1  0.298552  0.633105  0.719895  1
  Cu  Cu171  1  0.627040  0.294164  0.721692  1
  Cu  Cu172  1  0.574410  0.906798  0.687196  1
  Cu  Cu173  1  0.775856  0.442983  0.726643  1
  Cu  Cu174  1  0.818044  0.818344  0.713959  1
  Cu  Cu175  1  0.191223  0.858363  0.696731  1
  Cu  Cu176  1  0.535911  0.522959  0.700621  1
  Cu  Cu177  1  0.855822  0.203052  0.700615  1
  Cu  Cu178  1  0.239665  0.241548  0.687199  1
  Cu  Cu179  1  0.151215  0.485181  0.713957  1
  Cu  Cu180  1  0.482636  0.149764  0.711936  1
