# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14298797
_cell_length_b   12.67921317
_cell_length_c   45.72959372
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.00723164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5249.74574761
_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  0.967274  0.585084  0.312105  1
  Cu  Cu2  1  0.300608  0.251751  0.312105  1
  Cu  Cu3  1  0.423594  0.600243  0.287684  1
  Cu  Cu4  1  0.633941  0.918417  0.312105  1
  Cu  Cu5  1  0.756927  0.266910  0.287684  1
  Cu  Cu6  1  0.694730  0.591343  0.299240  1
  Cu  Cu7  1  0.090261  0.933576  0.287684  1
  Cu  Cu8  1  0.028063  0.258009  0.299240  1
  Cu  Cu9  1  0.361397  0.924676  0.299240  1
  Cu  Cu10  1  0.093463  0.751623  0.309423  1
  Cu  Cu11  1  0.426797  0.418290  0.309423  1
  Cu  Cu12  1  0.545603  0.766119  0.285288  1
  Cu  Cu13  1  0.760130  0.084956  0.309423  1
  Cu  Cu14  1  0.878936  0.432785  0.285288  1
  Cu  Cu15  1  0.818819  0.759905  0.297266  1
  Cu  Cu16  1  0.212270  0.099452  0.285288  1
  Cu  Cu17  1  0.152152  0.426572  0.297266  1
  Cu  Cu18  1  0.485485  0.093238  0.297266  1
  Cu  Cu19  1  0.779827  0.563800  0.352004  1
  Cu  Cu20  1  0.113160  0.230467  0.352004  1
  Cu  Cu21  1  0.236998  0.576705  0.325851  1
  Cu  Cu22  1  0.446493  0.897133  0.352004  1
  Cu  Cu23  1  0.570332  0.243371  0.325851  1
  Cu  Cu24  1  0.507673  0.571252  0.339327  1
  Cu  Cu25  1  0.903665  0.910038  0.325851  1
  Cu  Cu26  1  0.841006  0.237919  0.339327  1
  Cu  Cu27  1  0.174339  0.904586  0.339327  1
  Cu  Cu28  1  0.903116  0.731141  0.349594  1
  Cu  Cu29  1  0.236450  0.397808  0.349594  1
  Cu  Cu30  1  0.358986  0.746811  0.323675  1
  Cu  Cu31  1  0.569783  0.064474  0.349594  1
  Cu  Cu32  1  0.692319  0.413478  0.323675  1
  Cu  Cu33  1  0.631544  0.738265  0.336732  1
  Cu  Cu34  1  0.025652  0.080145  0.323675  1
  Cu  Cu35  1  0.964877  0.404931  0.336732  1
  Cu  Cu36  1  0.298211  0.071598  0.336732  1
  Cu  Cu37  1  0.590986  0.542471  0.392321  1
  Cu  Cu38  1  0.924319  0.209137  0.392321  1
  Cu  Cu39  1  0.049650  0.556103  0.365467  1
  Cu  Cu40  1  0.257653  0.875804  0.392321  1
  Cu  Cu41  1  0.382984  0.222770  0.365467  1
  Cu  Cu42  1  0.319792  0.549483  0.378988  1
  Cu  Cu43  1  0.716317  0.889436  0.365467  1
  Cu  Cu44  1  0.653125  0.216150  0.378988  1
  Cu  Cu45  1  0.986458  0.882816  0.378988  1
  Cu  Cu46  1  0.714232  0.710150  0.389818  1
  Cu  Cu47  1  0.047565  0.376817  0.389818  1
  Cu  Cu48  1  0.171805  0.724466  0.363068  1
  Cu  Cu49  1  0.380899  0.043483  0.389818  1
  Cu  Cu50  1  0.505138  0.391133  0.363068  1
  Cu  Cu51  1  0.442728  0.717820  0.376592  1
  Cu  Cu52  1  0.838472  0.057799  0.363068  1
  Cu  Cu53  1  0.776061  0.384487  0.376592  1
  Cu  Cu54  1  0.109394  0.051154  0.376592  1
  Cu  Cu55  1  0.402776  0.521172  0.432440  1
  Cu  Cu56  1  0.736110  0.187838  0.432440  1
  Cu  Cu57  1  0.861748  0.535235  0.405655  1
  Cu  Cu58  1  0.069443  0.854505  0.432440  1
  Cu  Cu59  1  0.195082  0.201902  0.405655  1
  Cu  Cu60  1  0.132135  0.528148  0.419069  1
  Cu  Cu61  1  0.528415  0.868569  0.405655  1
  Cu  Cu62  1  0.465468  0.194815  0.419069  1
  Cu  Cu63  1  0.798802  0.861482  0.419069  1
  Cu  Cu64  1  0.525829  0.689142  0.429963  1
  Cu  Cu65  1  0.859163  0.355808  0.429963  1
  Cu  Cu66  1  0.984540  0.703138  0.403164  1
  Cu  Cu67  1  0.192496  0.022475  0.429963  1
  Cu  Cu68  1  0.317874  0.369805  0.403164  1
  Cu  Cu69  1  0.254958  0.696258  0.416592  1
  Cu  Cu70  1  0.651207  0.036472  0.403164  1
  Cu  Cu71  1  0.588291  0.362925  0.416592  1
  Cu  Cu72  1  0.921625  0.029592  0.416592  1
  Cu  Cu73  1  0.214731  0.499948  0.472570  1
  Cu  Cu74  1  0.548064  0.166615  0.472570  1
  Cu  Cu75  1  0.673519  0.514074  0.445809  1
  Cu  Cu76  1  0.881397  0.833281  0.472570  1
  Cu  Cu77  1  0.006853  0.180741  0.445809  1
  Cu  Cu78  1  0.944121  0.506996  0.459194  1
  Cu  Cu79  1  0.340186  0.847407  0.445809  1
  Cu  Cu80  1  0.277455  0.173662  0.459194  1
  Cu  Cu81  1  0.610788  0.840329  0.459194  1
  Cu  Cu82  1  0.337680  0.667934  0.470071  1
  Cu  Cu83  1  0.671014  0.334601  0.470071  1
  Cu  Cu84  1  0.796476  0.682017  0.443315  1
  Cu  Cu85  1  0.004347  1.001267  0.470071  1
  Cu  Cu86  1  0.129810  0.348684  0.443315  1
  Cu  Cu87  1  0.067020  0.674998  0.456693  1
  Cu  Cu88  1  0.463143  0.015351  0.443315  1
  Cu  Cu89  1  0.400353  0.341665  0.456693  1
  Cu  Cu90  1  0.733687  0.008332  0.456693  1
  Cu  Cu91  1  0.026631  0.478755  0.512691  1
  Cu  Cu92  1  0.359965  0.145422  0.512691  1
  Cu  Cu93  1  0.485388  0.492874  0.485938  1
  Cu  Cu94  1  0.693298  0.812089  0.512691  1
  Cu  Cu95  1  0.818721  0.159541  0.485938  1
  Cu  Cu96  1  0.756020  0.485807  0.499316  1
  Cu  Cu97  1  0.152055  0.826208  0.485938  1
  Cu  Cu98  1  0.089353  0.152473  0.499316  1
  Cu  Cu99  1  0.422686  0.819140  0.499316  1
  Cu  Cu100  1  0.149588  0.646734  0.510196  1
  Cu  Cu101  1  0.482921  0.313401  0.510196  1
  Cu  Cu102  1  0.608344  0.660853  0.483442  1
  Cu  Cu103  1  0.816254  0.980067  0.510196  1
  Cu  Cu104  1  0.941678  0.327520  0.483442  1
  Cu  Cu105  1  0.878956  0.653802  0.496818  1
  Cu  Cu106  1  0.275011  0.994187  0.483442  1
  Cu  Cu107  1  0.212289  0.320469  0.496818  1
  Cu  Cu108  1  0.545623  0.987135  0.496818  1
  Cu  Cu109  1  0.838499  0.457591  0.552818  1
  Cu  Cu110  1  0.171833  0.124258  0.552818  1
  Cu  Cu111  1  0.297295  0.471674  0.526063  1
  Cu  Cu112  1  0.505166  0.790925  0.552818  1
  Cu  Cu113  1  0.630629  0.138341  0.526063  1
  Cu  Cu114  1  0.567956  0.464610  0.539441  1
  Cu  Cu115  1  0.963962  0.805008  0.526063  1
  Cu  Cu116  1  0.901289  0.131277  0.539441  1
  Cu  Cu117  1  0.234622  0.797944  0.539441  1
  Cu  Cu118  1  0.961456  0.625535  0.550324  1
  Cu  Cu119  1  0.294790  0.292201  0.550324  1
  Cu  Cu120  1  0.420245  0.639661  0.523564  1
  Cu  Cu121  1  0.628123  0.958868  0.550324  1
  Cu  Cu122  1  0.753578  0.306327  0.523564  1
  Cu  Cu123  1  0.690854  0.632613  0.536939  1
  Cu  Cu124  1  0.086911  0.972994  0.523564  1
  Cu  Cu125  1  0.024188  0.299280  0.536939  1
  Cu  Cu126  1  0.357521  0.965946  0.536939  1
  Cu  Cu127  1  0.650435  0.436470  0.592970  1
  Cu  Cu128  1  0.983769  0.103137  0.592970  1
  Cu  Cu129  1  0.109146  0.450467  0.566171  1
  Cu  Cu130  1  0.317102  0.769804  0.592970  1
  Cu  Cu131  1  0.442480  0.117133  0.566171  1
  Cu  Cu132  1  0.380017  0.443350  0.579541  1
  Cu  Cu133  1  0.775813  0.783800  0.566171  1
  Cu  Cu134  1  0.713351  0.110017  0.579541  1
  Cu  Cu135  1  0.046684  0.776683  0.579541  1
  Cu  Cu136  1  0.773227  0.604373  0.590479  1
  Cu  Cu137  1  0.106561  0.271040  0.590479  1
  Cu  Cu138  1  0.232199  0.618437  0.563694  1
  Cu  Cu139  1  0.439894  0.937706  0.590479  1
  Cu  Cu140  1  0.565533  0.285103  0.563694  1
  Cu  Cu141  1  0.502840  0.611460  0.577065  1
  Cu  Cu142  1  0.898866  0.951770  0.563694  1
  Cu  Cu143  1  0.836174  0.278127  0.577065  1
  Cu  Cu144  1  0.169507  0.944794  0.577065  1
  Cu  Cu145  1  0.463171  0.415142  0.633066  1
  Cu  Cu146  1  0.796504  0.081809  0.633066  1
  Cu  Cu147  1  0.920743  0.429459  0.606316  1
  Cu  Cu148  1  0.129837  0.748476  0.633066  1
  Cu  Cu149  1  0.254077  0.096125  0.606316  1
  Cu  Cu150  1  0.192248  0.421788  0.619542  1
  Cu  Cu151  1  0.587410  0.762792  0.606316  1
  Cu  Cu152  1  0.525581  0.088455  0.619542  1
  Cu  Cu153  1  0.858915  0.755121  0.619542  1
  Cu  Cu154  1  0.585325  0.583505  0.630667  1
  Cu  Cu155  1  0.918659  0.250172  0.630667  1
  Cu  Cu156  1  0.043990  0.597138  0.603812  1
  Cu  Cu157  1  0.251992  0.916839  0.630667  1
  Cu  Cu158  1  0.377323  0.263804  0.603812  1
  Cu  Cu159  1  0.315184  0.590126  0.617145  1
  Cu  Cu160  1  0.710656  0.930471  0.603812  1
  Cu  Cu161  1  0.648517  0.256792  0.617145  1
  Cu  Cu162  1  0.981851  0.923459  0.617145  1
  Cu  Cu163  1  0.275990  0.392797  0.672459  1
  Cu  Cu164  1  0.609323  0.059464  0.672459  1
  Cu  Cu165  1  0.731859  0.408468  0.646540  1
  Cu  Cu166  1  0.942657  0.726131  0.672459  1
  Cu  Cu167  1  0.065193  0.075134  0.646540  1
  Cu  Cu168  1  1.003432  0.401344  0.659402  1
  Cu  Cu169  1  0.398526  0.741801  0.646540  1
  Cu  Cu170  1  0.336765  0.068010  0.659402  1
  Cu  Cu171  1  0.670098  0.734677  0.659402  1
  Cu  Cu172  1  0.397977  0.562904  0.670283  1
  Cu  Cu173  1  0.731311  0.229570  0.670283  1
  Cu  Cu174  1  0.855149  0.575809  0.644130  1
  Cu  Cu175  1  0.064644  0.896237  0.670283  1
  Cu  Cu176  1  0.188482  0.242475  0.644130  1
  Cu  Cu177  1  0.127303  0.568356  0.656806  1
  Cu  Cu178  1  0.521816  0.909142  0.644130  1
  Cu  Cu179  1  0.460636  0.235023  0.656806  1
  Cu  Cu180  1  0.793970  0.901690  0.656806  1
  Cu  Cu181  1  0.089373  0.373490  0.710846  1
  Cu  Cu182  1  0.422706  0.040157  0.710846  1
  Cu  Cu183  1  0.541512  0.387985  0.686711  1
  Cu  Cu184  1  0.756039  0.706823  0.710846  1
  Cu  Cu185  1  0.874846  0.054652  0.686711  1
  Cu  Cu186  1  0.816157  0.379703  0.698868  1
  Cu  Cu187  1  0.208179  0.721319  0.686711  1
  Cu  Cu188  1  0.149490  0.046370  0.698868  1
  Cu  Cu189  1  0.482824  0.713037  0.698868  1
  Cu  Cu190  1  0.211382  0.539365  0.708450  1
  Cu  Cu191  1  0.544715  0.206032  0.708450  1
  Cu  Cu192  1  0.667701  0.554525  0.684029  1
  Cu  Cu193  1  0.878048  0.872699  0.708450  1
  Cu  Cu194  1  1.001035  0.221191  0.684029  1
  Cu  Cu195  1  0.940246  0.548266  0.696894  1
  Cu  Cu196  1  0.334368  0.887858  0.684029  1
  Cu  Cu197  1  0.273579  0.214932  0.696894  1
  Cu  Cu198  1  0.606912  0.881599  0.696894  1
