# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14349827
_cell_length_b   12.67938501
_cell_length_c   45.73322169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.00713561
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5250.52519222
_cell_formula_units_Z   198
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  0.967265  0.585077  0.312091  1
  Cu  Cu2  1  0.300599  0.251744  0.312091  1
  Cu  Cu3  1  0.423595  0.600234  0.287672  1
  Cu  Cu4  1  0.633932  0.918410  0.312091  1
  Cu  Cu5  1  0.756928  0.266900  0.287672  1
  Cu  Cu6  1  0.694723  0.591336  0.299226  1
  Cu  Cu7  1  0.090261  0.933567  0.287672  1
  Cu  Cu8  1  0.028057  0.258002  0.299226  1
  Cu  Cu9  1  0.361390  0.924669  0.299226  1
  Cu  Cu10  1  0.093447  0.751616  0.309410  1
  Cu  Cu11  1  0.426780  0.418283  0.309410  1
  Cu  Cu12  1  0.545594  0.766111  0.285277  1
  Cu  Cu13  1  0.760114  0.084949  0.309410  1
  Cu  Cu14  1  0.878927  0.432778  0.285277  1
  Cu  Cu15  1  0.818804  0.759897  0.297254  1
  Cu  Cu16  1  0.212260  0.099445  0.285277  1
  Cu  Cu17  1  0.152138  0.426564  0.297254  1
  Cu  Cu18  1  0.485471  0.093230  0.297254  1
  Cu  Cu19  1  0.779818  0.563792  0.351987  1
  Cu  Cu20  1  0.113151  0.230459  0.351987  1
  Cu  Cu21  1  0.236990  0.576698  0.325835  1
  Cu  Cu22  1  0.446484  0.897126  0.351987  1
  Cu  Cu23  1  0.570323  0.243365  0.325835  1
  Cu  Cu24  1  0.507664  0.571246  0.339311  1
  Cu  Cu25  1  0.903657  0.910032  0.325835  1
  Cu  Cu26  1  0.840997  0.237912  0.339311  1
  Cu  Cu27  1  0.174331  0.904579  0.339311  1
  Cu  Cu28  1  0.903101  0.731134  0.349577  1
  Cu  Cu29  1  0.236435  0.397801  0.349577  1
  Cu  Cu30  1  0.358971  0.746804  0.323660  1
  Cu  Cu31  1  0.569768  0.064467  0.349577  1
  Cu  Cu32  1  0.692304  0.413470  0.323660  1
  Cu  Cu33  1  0.631529  0.738257  0.336717  1
  Cu  Cu34  1  0.025637  0.080137  0.323660  1
  Cu  Cu35  1  0.964863  0.404924  0.336717  1
  Cu  Cu36  1  0.298196  0.071590  0.336717  1
  Cu  Cu37  1  0.590976  0.542464  0.392301  1
  Cu  Cu38  1  0.924309  0.209130  0.392301  1
  Cu  Cu39  1  0.049641  0.556096  0.365448  1
  Cu  Cu40  1  0.257642  0.875797  0.392301  1
  Cu  Cu41  1  0.382975  0.222763  0.365448  1
  Cu  Cu42  1  0.319782  0.549476  0.378969  1
  Cu  Cu43  1  0.716308  0.889430  0.365448  1
  Cu  Cu44  1  0.653115  0.216143  0.378969  1
  Cu  Cu45  1  0.986448  0.882809  0.378969  1
  Cu  Cu46  1  0.714216  0.710142  0.389798  1
  Cu  Cu47  1  0.047550  0.376809  0.389798  1
  Cu  Cu48  1  0.171790  0.724458  0.363050  1
  Cu  Cu49  1  0.380883  0.043476  0.389798  1
  Cu  Cu50  1  0.505124  0.391125  0.363050  1
  Cu  Cu51  1  0.442712  0.717813  0.376574  1
  Cu  Cu52  1  0.838457  0.057792  0.363050  1
  Cu  Cu53  1  0.776045  0.384480  0.376574  1
  Cu  Cu54  1  0.109378  0.051146  0.376574  1
  Cu  Cu55  1  0.402765  0.521164  0.432416  1
  Cu  Cu56  1  0.736098  0.187831  0.432416  1
  Cu  Cu57  1  0.861738  0.535228  0.405633  1
  Cu  Cu58  1  0.069432  0.854498  0.432416  1
  Cu  Cu59  1  0.195071  0.201895  0.405633  1
  Cu  Cu60  1  0.132124  0.528141  0.419046  1
  Cu  Cu61  1  0.528405  0.868562  0.405633  1
  Cu  Cu62  1  0.465458  0.194808  0.419046  1
  Cu  Cu63  1  0.798791  0.861474  0.419046  1
  Cu  Cu64  1  0.525813  0.689134  0.429940  1
  Cu  Cu65  1  0.859146  0.355801  0.429940  1
  Cu  Cu66  1  0.984524  0.703131  0.403143  1
  Cu  Cu67  1  0.192479  0.022467  0.429940  1
  Cu  Cu68  1  0.317858  0.369797  0.403143  1
  Cu  Cu69  1  0.254942  0.696251  0.416571  1
  Cu  Cu70  1  0.651191  0.036464  0.403143  1
  Cu  Cu71  1  0.588275  0.362917  0.416571  1
  Cu  Cu72  1  0.921609  0.029584  0.416571  1
  Cu  Cu73  1  0.214719  0.499940  0.472543  1
  Cu  Cu74  1  0.548052  0.166607  0.472543  1
  Cu  Cu75  1  0.673508  0.514066  0.445784  1
  Cu  Cu76  1  0.881385  0.833274  0.472543  1
  Cu  Cu77  1  0.006841  0.180733  0.445784  1
  Cu  Cu78  1  0.944110  0.506988  0.459168  1
  Cu  Cu79  1  0.340175  0.847400  0.445784  1
  Cu  Cu80  1  0.277443  0.173655  0.459168  1
  Cu  Cu81  1  0.610776  0.840321  0.459168  1
  Cu  Cu82  1  0.337663  0.667926  0.470045  1
  Cu  Cu83  1  0.670996  0.334593  0.470045  1
  Cu  Cu84  1  0.796460  0.682009  0.443292  1
  Cu  Cu85  1  0.004330  1.001259  0.470045  1
  Cu  Cu86  1  0.129793  0.348676  0.443292  1
  Cu  Cu87  1  0.067003  0.674990  0.456668  1
  Cu  Cu88  1  0.463126  0.015343  0.443292  1
  Cu  Cu89  1  0.400336  0.341657  0.456668  1
  Cu  Cu90  1  0.733670  0.008323  0.456668  1
  Cu  Cu91  1  0.026618  0.478747  0.512661  1
  Cu  Cu92  1  0.359952  0.145414  0.512661  1
  Cu  Cu93  1  0.485376  0.492867  0.485910  1
  Cu  Cu94  1  0.693285  0.812081  0.512661  1
  Cu  Cu95  1  0.818709  0.159533  0.485910  1
  Cu  Cu96  1  0.756007  0.485799  0.499287  1
  Cu  Cu97  1  0.152042  0.826200  0.485910  1
  Cu  Cu98  1  0.089340  0.152465  0.499287  1
  Cu  Cu99  1  0.422674  0.819132  0.499287  1
  Cu  Cu100  1  0.149570  0.646726  0.510167  1
  Cu  Cu101  1  0.482903  0.313392  0.510167  1
  Cu  Cu102  1  0.608327  0.660845  0.483416  1
  Cu  Cu103  1  0.816236  0.980059  0.510167  1
  Cu  Cu104  1  0.941660  0.327512  0.483416  1
  Cu  Cu105  1  0.878938  0.653794  0.496790  1
  Cu  Cu106  1  0.274993  0.994178  0.483416  1
  Cu  Cu107  1  0.212271  0.320460  0.496790  1
  Cu  Cu108  1  0.545605  0.987127  0.496790  1
  Cu  Cu109  1  0.838485  0.457583  0.552785  1
  Cu  Cu110  1  0.171819  0.124250  0.552785  1
  Cu  Cu111  1  0.297282  0.471666  0.526032  1
  Cu  Cu112  1  0.505152  0.790916  0.552785  1
  Cu  Cu113  1  0.630615  0.138333  0.526032  1
  Cu  Cu114  1  0.567942  0.464602  0.539408  1
  Cu  Cu115  1  0.963949  0.805000  0.526032  1
  Cu  Cu116  1  0.901275  0.131269  0.539408  1
  Cu  Cu117  1  0.234609  0.797936  0.539408  1
  Cu  Cu118  1  0.961437  0.625526  0.550292  1
  Cu  Cu119  1  0.294770  0.292193  0.550292  1
  Cu  Cu120  1  0.420226  0.639652  0.523534  1
  Cu  Cu121  1  0.628104  0.958859  0.550292  1
  Cu  Cu122  1  0.753560  0.306319  0.523534  1
  Cu  Cu123  1  0.690835  0.632604  0.536908  1
  Cu  Cu124  1  0.086893  0.972985  0.523534  1
  Cu  Cu125  1  0.024169  0.299271  0.536908  1
  Cu  Cu126  1  0.357502  0.965938  0.536908  1
  Cu  Cu127  1  0.650421  0.436462  0.592933  1
  Cu  Cu128  1  0.983754  0.103128  0.592933  1
  Cu  Cu129  1  0.109132  0.450458  0.566137  1
  Cu  Cu130  1  0.317087  0.769795  0.592933  1
  Cu  Cu131  1  0.442466  0.117125  0.566137  1
  Cu  Cu132  1  0.380003  0.443342  0.579506  1
  Cu  Cu133  1  0.775799  0.783792  0.566137  1
  Cu  Cu134  1  0.713336  0.110008  0.579506  1
  Cu  Cu135  1  0.046670  0.776675  0.579506  1
  Cu  Cu136  1  0.773207  0.604364  0.590444  1
  Cu  Cu137  1  0.106540  0.271031  0.590444  1
  Cu  Cu138  1  0.232180  0.618428  0.563661  1
  Cu  Cu139  1  0.439874  0.937698  0.590444  1
  Cu  Cu140  1  0.565513  0.285095  0.563661  1
  Cu  Cu141  1  0.502821  0.611451  0.577030  1
  Cu  Cu142  1  0.898847  0.951761  0.563661  1
  Cu  Cu143  1  0.836154  0.278118  0.577030  1
  Cu  Cu144  1  0.169487  0.944785  0.577030  1
  Cu  Cu145  1  0.463155  0.415134  0.633027  1
  Cu  Cu146  1  0.796488  0.081801  0.633027  1
  Cu  Cu147  1  0.920729  0.429450  0.606278  1
  Cu  Cu148  1  0.129821  0.748467  0.633027  1
  Cu  Cu149  1  0.254062  0.096117  0.606278  1
  Cu  Cu150  1  0.192233  0.421779  0.619503  1
  Cu  Cu151  1  0.587395  0.762783  0.606278  1
  Cu  Cu152  1  0.525567  0.088446  0.619503  1
  Cu  Cu153  1  0.858900  0.755113  0.619503  1
  Cu  Cu154  1  0.585304  0.583496  0.630629  1
  Cu  Cu155  1  0.918637  0.250163  0.630629  1
  Cu  Cu156  1  0.043969  0.597129  0.603776  1
  Cu  Cu157  1  0.251970  0.916829  0.630629  1
  Cu  Cu158  1  0.377303  0.263795  0.603776  1
  Cu  Cu159  1  0.315163  0.590117  0.617108  1
  Cu  Cu160  1  0.710636  0.930462  0.603776  1
  Cu  Cu161  1  0.648497  0.256783  0.617108  1
  Cu  Cu162  1  0.981830  0.923450  0.617108  1
  Cu  Cu163  1  0.275974  0.392789  0.672417  1
  Cu  Cu164  1  0.609308  0.059455  0.672417  1
  Cu  Cu165  1  0.731844  0.408458  0.646499  1
  Cu  Cu166  1  0.942641  0.726122  0.672417  1
  Cu  Cu167  1  0.065177  0.075125  0.646499  1
  Cu  Cu168  1  1.003416  0.401335  0.659360  1
  Cu  Cu169  1  0.398510  0.741792  0.646499  1
  Cu  Cu170  1  0.336749  0.068002  0.659360  1
  Cu  Cu171  1  0.670083  0.734669  0.659360  1
  Cu  Cu172  1  0.397955  0.562894  0.670242  1
  Cu  Cu173  1  0.731288  0.229561  0.670242  1
  Cu  Cu174  1  0.855128  0.575800  0.644090  1
  Cu  Cu175  1  0.064622  0.896227  0.670242  1
  Cu  Cu176  1  0.188461  0.242467  0.644090  1
  Cu  Cu177  1  0.127281  0.568347  0.656766  1
  Cu  Cu178  1  0.521794  0.909133  0.644090  1
  Cu  Cu179  1  0.460614  0.235014  0.656766  1
  Cu  Cu180  1  0.793948  0.901680  0.656766  1
  Cu  Cu181  1  0.089351  0.373481  0.710800  1
  Cu  Cu182  1  0.422685  0.040148  0.710800  1
  Cu  Cu183  1  0.541498  0.387976  0.686667  1
  Cu  Cu184  1  0.756018  0.706814  0.710800  1
  Cu  Cu185  1  0.874831  0.054643  0.686667  1
  Cu  Cu186  1  0.816141  0.379695  0.698823  1
  Cu  Cu187  1  0.208165  0.721310  0.686667  1
  Cu  Cu188  1  0.149474  0.046362  0.698823  1
  Cu  Cu189  1  0.482807  0.713029  0.698823  1
  Cu  Cu190  1  0.211350  0.539359  0.708405  1
  Cu  Cu191  1  0.544684  0.206026  0.708405  1
  Cu  Cu192  1  0.667680  0.554515  0.683986  1
  Cu  Cu193  1  0.878017  0.872692  0.708405  1
  Cu  Cu194  1  1.001013  0.221182  0.683986  1
  Cu  Cu195  1  0.940222  0.548257  0.696850  1
  Cu  Cu196  1  0.334346  0.887849  0.683986  1
  Cu  Cu197  1  0.273555  0.214923  0.696850  1
  Cu  Cu198  1  0.606888  0.881590  0.696850  1
