# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17097636
_cell_length_b   12.84013068
_cell_length_c   45.94858000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.05972188
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5358.8705657
_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  0.137856  0.768019  0.282505  1
  Cu  Cu2  1  0.471189  0.434686  0.282505  1
  Cu  Cu3  1  0.404118  0.763332  0.294057  1
  Cu  Cu4  1  0.804522  0.101353  0.282505  1
  Cu  Cu5  1  0.737451  0.429998  0.294057  1
  Cu  Cu6  1  0.671345  0.757012  0.306133  1
  Cu  Cu7  1  0.070784  0.096665  0.294057  1
  Cu  Cu8  1  0.004679  0.423679  0.306133  1
  Cu  Cu9  1  0.338012  0.090345  0.306133  1
  Cu  Cu10  1  0.126168  0.590601  0.303991  1
  Cu  Cu11  1  0.459502  0.257268  0.303991  1
  Cu  Cu12  1  0.393890  0.586278  0.315920  1
  Cu  Cu13  1  0.792835  0.923934  0.303991  1
  Cu  Cu14  1  0.727223  0.252945  0.315920  1
  Cu  Cu15  1  0.855628  0.598049  0.291775  1
  Cu  Cu16  1  0.060557  0.919612  0.315920  1
  Cu  Cu17  1  0.188961  0.264716  0.291775  1
  Cu  Cu18  1  0.522295  0.931382  0.291775  1
  Cu  Cu19  1  0.940440  0.749923  0.318980  1
  Cu  Cu20  1  0.273773  0.416590  0.318980  1
  Cu  Cu21  1  0.210374  0.742870  0.333175  1
  Cu  Cu22  1  0.607106  0.083257  0.318980  1
  Cu  Cu23  1  0.543707  0.409536  0.333175  1
  Cu  Cu24  1  0.480472  0.736847  0.345745  1
  Cu  Cu25  1  0.877041  0.076203  0.333175  1
  Cu  Cu26  1  0.813805  0.403514  0.345745  1
  Cu  Cu27  1  0.147138  0.070180  0.345745  1
  Cu  Cu28  1  0.935267  0.570285  0.342918  1
  Cu  Cu29  1  0.268601  0.236952  0.342918  1
  Cu  Cu30  1  0.206729  0.562948  0.356248  1
  Cu  Cu31  1  0.601934  0.903619  0.342918  1
  Cu  Cu32  1  0.540062  0.229614  0.356248  1
  Cu  Cu33  1  0.661747  0.578191  0.328661  1
  Cu  Cu34  1  0.873395  0.896281  0.356248  1
  Cu  Cu35  1  0.995081  0.244858  0.328661  1
  Cu  Cu36  1  0.328414  0.911524  0.328661  1
  Cu  Cu37  1  0.750643  0.728320  0.358521  1
  Cu  Cu38  1  0.083977  0.394987  0.358521  1
  Cu  Cu39  1  0.020411  0.721373  0.372329  1
  Cu  Cu40  1  0.417310  0.061654  0.358521  1
  Cu  Cu41  1  0.353744  0.388040  0.372329  1
  Cu  Cu42  1  0.290660  0.714846  0.385906  1
  Cu  Cu43  1  0.687077  0.054707  0.372329  1
  Cu  Cu44  1  0.623993  0.381513  0.385906  1
  Cu  Cu45  1  0.957326  0.048179  0.385906  1
  Cu  Cu46  1  0.745985  0.550032  0.382702  1
  Cu  Cu47  1  0.079318  0.216698  0.382702  1
  Cu  Cu48  1  0.017386  0.542266  0.396239  1
  Cu  Cu49  1  0.412652  0.883365  0.382702  1
  Cu  Cu50  1  0.350719  0.208933  0.396239  1
  Cu  Cu51  1  0.476144  0.557262  0.369439  1
  Cu  Cu52  1  0.684052  0.875599  0.396239  1
  Cu  Cu53  1  0.809478  0.223929  0.369439  1
  Cu  Cu54  1  0.142811  0.890596  0.369439  1
  Cu  Cu55  1  0.560971  0.708167  0.399064  1
  Cu  Cu56  1  0.894304  0.374834  0.399064  1
  Cu  Cu57  1  0.831258  0.700718  0.412348  1
  Cu  Cu58  1  0.227637  0.041500  0.399064  1
  Cu  Cu59  1  0.164591  0.367385  0.412348  1
  Cu  Cu60  1  0.101604  0.693660  0.425913  1
  Cu  Cu61  1  0.497925  0.034051  0.412348  1
  Cu  Cu62  1  0.434937  0.360327  0.425913  1
  Cu  Cu63  1  0.768271  0.026994  0.425913  1
  Cu  Cu64  1  0.558387  0.528809  0.423089  1
  Cu  Cu65  1  0.891721  0.195476  0.423089  1
  Cu  Cu66  1  0.828811  0.521711  0.436430  1
  Cu  Cu67  1  0.225054  0.862142  0.423089  1
  Cu  Cu68  1  0.162144  0.188377  0.436430  1
  Cu  Cu69  1  0.288107  0.535483  0.409744  1
  Cu  Cu70  1  0.495478  0.855044  0.436430  1
  Cu  Cu71  1  0.621440  0.202150  0.409744  1
  Cu  Cu72  1  0.954774  0.868817  0.409744  1
  Cu  Cu73  1  0.372178  0.686865  0.439316  1
  Cu  Cu74  1  0.705511  0.353532  0.439316  1
  Cu  Cu75  1  0.642664  0.679905  0.452639  1
  Cu  Cu76  1  0.038845  0.020199  0.439316  1
  Cu  Cu77  1  0.975997  0.346571  0.452639  1
  Cu  Cu78  1  0.913064  0.672783  0.466029  1
  Cu  Cu79  1  0.309330  0.013238  0.452639  1
  Cu  Cu80  1  0.246397  0.339449  0.466029  1
  Cu  Cu81  1  0.579730  0.006116  0.466029  1
  Cu  Cu82  1  0.369995  0.507592  0.463298  1
  Cu  Cu83  1  0.703328  0.174259  0.463298  1
  Cu  Cu84  1  0.640502  0.500658  0.476678  1
  Cu  Cu85  1  0.036661  0.840925  0.463298  1
  Cu  Cu86  1  0.973836  0.167325  0.476678  1
  Cu  Cu87  1  0.099424  0.514491  0.449853  1
  Cu  Cu88  1  0.307169  0.833992  0.476678  1
  Cu  Cu89  1  0.432757  0.181158  0.449853  1
  Cu  Cu90  1  0.766090  0.847824  0.449853  1
  Cu  Cu91  1  0.183589  0.665770  0.479453  1
  Cu  Cu92  1  0.516922  0.332436  0.479453  1
  Cu  Cu93  1  0.454169  0.658847  0.492856  1
  Cu  Cu94  1  0.850256  0.999103  0.479453  1
  Cu  Cu95  1  0.787503  0.325514  0.492856  1
  Cu  Cu96  1  0.724656  0.651811  0.506249  1
  Cu  Cu97  1  0.120836  0.992180  0.492856  1
  Cu  Cu98  1  0.057990  0.318477  0.506249  1
  Cu  Cu99  1  0.391323  0.985144  0.506249  1
  Cu  Cu100  1  0.181458  0.486558  0.503453  1
  Cu  Cu101  1  0.514791  0.153225  0.503453  1
  Cu  Cu102  1  0.452038  0.479635  0.516855  1
  Cu  Cu103  1  0.848124  0.819891  0.503453  1
  Cu  Cu104  1  0.785371  0.146302  0.516855  1
  Cu  Cu105  1  0.910970  0.493594  0.490059  1
  Cu  Cu106  1  0.118705  0.812968  0.516855  1
  Cu  Cu107  1  0.244304  0.160261  0.490059  1
  Cu  Cu108  1  0.577637  0.826927  0.490059  1
  Cu  Cu109  1  0.995124  0.644747  0.519631  1
  Cu  Cu110  1  0.328458  0.311413  0.519631  1
  Cu  Cu111  1  0.265632  0.637813  0.533010  1
  Cu  Cu112  1  0.661791  0.978080  0.519631  1
  Cu  Cu113  1  0.598965  0.304480  0.533010  1
  Cu  Cu114  1  0.536203  0.630914  0.546456  1
  Cu  Cu115  1  0.932299  0.971146  0.533010  1
  Cu  Cu116  1  0.869537  0.297580  0.546456  1
  Cu  Cu117  1  0.202870  0.964247  0.546456  1
  Cu  Cu118  1  0.992963  0.465500  0.543670  1
  Cu  Cu119  1  0.326297  0.132167  0.543670  1
  Cu  Cu120  1  0.263449  0.458540  0.556993  1
  Cu  Cu121  1  0.659630  0.798833  0.543670  1
  Cu  Cu122  1  0.596782  0.125206  0.556993  1
  Cu  Cu123  1  0.722563  0.472622  0.530279  1
  Cu  Cu124  1  0.930116  0.791873  0.556993  1
  Cu  Cu125  1  0.055897  0.139289  0.530279  1
  Cu  Cu126  1  0.389230  0.805955  0.530279  1
  Cu  Cu127  1  0.806816  0.623694  0.559879  1
  Cu  Cu128  1  0.140149  0.290361  0.559879  1
  Cu  Cu129  1  0.077239  0.616596  0.573220  1
  Cu  Cu130  1  0.473482  0.957028  0.559879  1
  Cu  Cu131  1  0.410573  0.283262  0.573220  1
  Cu  Cu132  1  0.347520  0.609921  0.586565  1
  Cu  Cu133  1  0.743906  0.949929  0.573220  1
  Cu  Cu134  1  0.680853  0.276588  0.586565  1
  Cu  Cu135  1  0.014186  0.943255  0.586565  1
  Cu  Cu136  1  0.804369  0.444687  0.583961  1
  Cu  Cu137  1  0.137702  0.111354  0.583961  1
  Cu  Cu138  1  0.074656  0.437238  0.597244  1
  Cu  Cu139  1  0.471035  0.778020  0.583961  1
  Cu  Cu140  1  0.407990  0.103904  0.597244  1
  Cu  Cu141  1  0.534023  0.451744  0.570396  1
  Cu  Cu142  1  0.741323  0.770571  0.597244  1
  Cu  Cu143  1  0.867356  0.118411  0.570396  1
  Cu  Cu144  1  0.200689  0.785078  0.570396  1
  Cu  Cu145  1  0.618241  0.603139  0.600070  1
  Cu  Cu146  1  0.951575  0.269805  0.600070  1
  Cu  Cu147  1  0.889642  0.595373  0.613607  1
  Cu  Cu148  1  0.284908  0.936472  0.600070  1
  Cu  Cu149  1  0.222975  0.262040  0.613607  1
  Cu  Cu150  1  0.159483  0.588142  0.626870  1
  Cu  Cu151  1  0.556309  0.928706  0.613607  1
  Cu  Cu152  1  0.492816  0.254809  0.626870  1
  Cu  Cu153  1  0.826149  0.921476  0.626870  1
  Cu  Cu154  1  0.615216  0.424032  0.623980  1
  Cu  Cu155  1  0.948550  0.090698  0.623980  1
  Cu  Cu156  1  0.884983  0.417085  0.637788  1
  Cu  Cu157  1  0.281883  0.757365  0.623980  1
  Cu  Cu158  1  0.218317  0.083751  0.637788  1
  Cu  Cu159  1  0.344967  0.430559  0.610402  1
  Cu  Cu160  1  0.551650  0.750418  0.637788  1
  Cu  Cu161  1  0.678300  0.097225  0.610402  1
  Cu  Cu162  1  0.011634  0.763892  0.610402  1
  Cu  Cu163  1  0.428898  0.582457  0.640060  1
  Cu  Cu164  1  0.762231  0.249124  0.640060  1
  Cu  Cu165  1  0.700359  0.575120  0.653391  1
  Cu  Cu166  1  0.095565  0.915791  0.640060  1
  Cu  Cu167  1  0.033693  0.241786  0.653391  1
  Cu  Cu168  1  0.973879  0.567214  0.667648  1
  Cu  Cu169  1  0.367026  0.908453  0.653391  1
  Cu  Cu170  1  0.307213  0.233881  0.667648  1
  Cu  Cu171  1  0.640546  0.900547  0.667648  1
  Cu  Cu172  1  0.425253  0.402535  0.663134  1
  Cu  Cu173  1  0.758586  0.069202  0.663134  1
  Cu  Cu174  1  0.695187  0.395481  0.677329  1
  Cu  Cu175  1  0.091920  0.735868  0.663134  1
  Cu  Cu176  1  0.028520  0.062148  0.677329  1
  Cu  Cu177  1  0.155155  0.408558  0.650563  1
  Cu  Cu178  1  0.361854  0.728815  0.677329  1
  Cu  Cu179  1  0.488488  0.075224  0.650563  1
  Cu  Cu180  1  0.821822  0.741891  0.650563  1
  Cu  Cu181  1  0.241737  0.559127  0.680389  1
  Cu  Cu182  1  0.575070  0.225793  0.680389  1
  Cu  Cu183  1  0.509459  0.554804  0.692317  1
  Cu  Cu184  1  0.908403  0.892460  0.680389  1
  Cu  Cu185  1  0.842792  0.221470  0.692317  1
  Cu  Cu186  1  0.779999  0.547356  0.704533  1
  Cu  Cu187  1  0.176125  0.888137  0.692317  1
  Cu  Cu188  1  0.113332  0.214022  0.704533  1
  Cu  Cu189  1  0.446665  0.880689  0.704533  1
  Cu  Cu190  1  0.231509  0.382073  0.702251  1
  Cu  Cu191  1  0.564842  0.048740  0.702251  1
  Cu  Cu192  1  0.497771  0.377385  0.713803  1
  Cu  Cu193  1  0.898176  0.715406  0.702251  1
  Cu  Cu194  1  0.831105  0.044052  0.713803  1
  Cu  Cu195  1  0.964281  0.388393  0.690175  1
  Cu  Cu196  1  0.164438  0.710719  0.713803  1
  Cu  Cu197  1  0.297615  0.055059  0.690175  1
  Cu  Cu198  1  0.630948  0.721726  0.690175  1
