# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72914958
_cell_length_b   12.68181037
_cell_length_c   49.31867363
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.17192286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu162
_cell_volume   4205.72351914
_cell_formula_units_Z   162
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  0.485992  0.368424  0.277711  1
  Cu  Cu2  1  0.535288  0.010014  0.308615  1
  Cu  Cu3  1  0.512100  0.691040  0.292345  1
  Cu  Cu4  1  0.819326  0.035091  0.277711  1
  Cu  Cu5  1  0.868622  0.676681  0.308615  1
  Cu  Cu6  1  0.152659  0.701757  0.277711  1
  Cu  Cu7  1  0.845433  0.357707  0.292345  1
  Cu  Cu8  1  0.201955  0.343347  0.308615  1
  Cu  Cu9  1  0.178767  0.024373  0.292345  1
  Cu  Cu10  1  0.617908  0.192397  0.289652  1
  Cu  Cu11  1  0.665379  0.834378  0.321920  1
  Cu  Cu12  1  0.642206  0.513627  0.305504  1
  Cu  Cu13  1  0.951242  0.859064  0.289652  1
  Cu  Cu14  1  0.998712  0.501045  0.321920  1
  Cu  Cu15  1  0.284575  0.525731  0.289652  1
  Cu  Cu16  1  0.975539  0.180294  0.305504  1
  Cu  Cu17  1  0.332045  0.167712  0.321920  1
  Cu  Cu18  1  0.308872  0.846960  0.305504  1
  Cu  Cu19  1  0.561515  0.331480  0.325685  1
  Cu  Cu20  1  0.606501  0.972519  0.358308  1
  Cu  Cu21  1  0.583387  0.652106  0.341652  1
  Cu  Cu22  1  0.894849  0.998147  0.325685  1
  Cu  Cu23  1  0.939834  0.639186  0.358308  1
  Cu  Cu24  1  0.228182  0.664813  0.325685  1
  Cu  Cu25  1  0.916721  0.318773  0.341652  1
  Cu  Cu26  1  0.273167  0.305853  0.358308  1
  Cu  Cu27  1  0.250054  0.985440  0.341652  1
  Cu  Cu28  1  0.689787  0.153732  0.338696  1
  Cu  Cu29  1  0.735885  0.795275  0.372036  1
  Cu  Cu30  1  0.712979  0.475041  0.355426  1
  Cu  Cu31  1  0.023120  0.820399  0.338696  1
  Cu  Cu32  1  0.069219  0.461941  0.372036  1
  Cu  Cu33  1  0.356453  0.487065  0.338696  1
  Cu  Cu34  1  0.046312  0.141708  0.355426  1
  Cu  Cu35  1  0.402552  0.128608  0.372036  1
  Cu  Cu36  1  0.379646  0.808374  0.355426  1
  Cu  Cu37  1  0.630492  0.292787  0.375117  1
  Cu  Cu38  1  0.676478  0.933858  0.408379  1
  Cu  Cu39  1  0.653438  0.613541  0.391688  1
  Cu  Cu40  1  0.963825  0.959454  0.375117  1
  Cu  Cu41  1  0.009811  0.600525  0.408379  1
  Cu  Cu42  1  0.297158  0.626120  0.375117  1
  Cu  Cu43  1  0.986772  0.280207  0.391688  1
  Cu  Cu44  1  0.343144  0.267192  0.408379  1
  Cu  Cu45  1  0.320105  0.946874  0.391688  1
  Cu  Cu46  1  0.759187  0.115470  0.388890  1
  Cu  Cu47  1  0.805291  0.756526  0.422324  1
  Cu  Cu48  1  0.782293  0.436107  0.405626  1
  Cu  Cu49  1  0.092521  0.782137  0.388890  1
  Cu  Cu50  1  0.138625  0.423192  0.422324  1
  Cu  Cu51  1  0.425854  0.448804  0.388890  1
  Cu  Cu52  1  0.115627  0.102774  0.405626  1
  Cu  Cu53  1  0.471958  0.089859  0.422324  1
  Cu  Cu54  1  0.448960  0.769441  0.405626  1
  Cu  Cu55  1  0.699663  0.254355  0.425122  1
  Cu  Cu56  1  0.745585  0.895306  0.458510  1
  Cu  Cu57  1  0.722616  0.574876  0.441801  1
  Cu  Cu58  1  0.032996  0.921022  0.425122  1
  Cu  Cu59  1  0.078919  0.561973  0.458510  1
  Cu  Cu60  1  0.366329  0.587688  0.425122  1
  Cu  Cu61  1  0.055949  0.241542  0.441801  1
  Cu  Cu62  1  0.412252  0.228640  0.458510  1
  Cu  Cu63  1  0.389283  0.908209  0.441801  1
  Cu  Cu64  1  0.828312  0.076917  0.439079  1
  Cu  Cu65  1  0.874285  0.717872  0.472516  1
  Cu  Cu66  1  0.851327  0.397421  0.455803  1
  Cu  Cu67  1  0.161646  0.743584  0.439079  1
  Cu  Cu68  1  0.207618  0.384538  0.472516  1
  Cu  Cu69  1  0.494979  0.410251  0.439079  1
  Cu  Cu70  1  0.184661  0.064088  0.455803  1
  Cu  Cu71  1  0.540952  0.051205  0.472516  1
  Cu  Cu72  1  0.517994  0.730755  0.455803  1
  Cu  Cu73  1  0.768591  0.215772  0.475235  1
  Cu  Cu74  1  0.814503  0.856707  0.508660  1
  Cu  Cu75  1  0.791539  0.536244  0.491942  1
  Cu  Cu76  1  0.101924  0.882439  0.475235  1
  Cu  Cu77  1  0.147837  0.523373  0.508660  1
  Cu  Cu78  1  0.435257  0.549106  0.475235  1
  Cu  Cu79  1  0.124872  0.202910  0.491942  1
  Cu  Cu80  1  0.481170  0.190040  0.508660  1
  Cu  Cu81  1  0.458206  0.869577  0.491942  1
  Cu  Cu82  1  0.897264  0.038316  0.489244  1
  Cu  Cu83  1  0.943176  0.679250  0.522670  1
  Cu  Cu84  1  0.920228  0.358779  0.505962  1
  Cu  Cu85  1  0.230597  0.704983  0.489244  1
  Cu  Cu86  1  0.276509  0.345917  0.522670  1
  Cu  Cu87  1  0.563930  0.371649  0.489244  1
  Cu  Cu88  1  0.253561  0.025445  0.505962  1
  Cu  Cu89  1  0.609843  0.012584  0.522670  1
  Cu  Cu90  1  0.586894  0.692112  0.505962  1
  Cu  Cu91  1  0.837482  0.177151  0.525388  1
  Cu  Cu92  1  0.883455  0.818105  0.558825  1
  Cu  Cu93  1  0.860440  0.497601  0.542101  1
  Cu  Cu94  1  0.170815  0.843817  0.525388  1
  Cu  Cu95  1  0.216788  0.484772  0.558825  1
  Cu  Cu96  1  0.504148  0.510484  0.525388  1
  Cu  Cu97  1  0.193773  0.164268  0.542101  1
  Cu  Cu98  1  0.550121  0.151438  0.558825  1
  Cu  Cu99  1  0.527106  0.830935  0.542101  1
  Cu  Cu100  1  0.966181  0.999716  0.539394  1
  Cu  Cu101  1  0.012104  0.640668  0.572782  1
  Cu  Cu102  1  0.989151  0.320147  0.556103  1
  Cu  Cu103  1  0.299515  0.666383  0.539394  1
  Cu  Cu104  1  0.345438  0.307334  0.572782  1
  Cu  Cu105  1  0.632848  0.333050  0.539394  1
  Cu  Cu106  1  0.322484  0.986813  0.556103  1
  Cu  Cu107  1  0.678771  0.974001  0.572782  1
  Cu  Cu108  1  0.655817  0.653480  0.556103  1
  Cu  Cu109  1  0.906475  0.138497  0.575580  1
  Cu  Cu110  1  0.952580  0.779552  0.609014  1
  Cu  Cu111  1  0.929474  0.458915  0.592278  1
  Cu  Cu112  1  0.239809  0.805164  0.575580  1
  Cu  Cu113  1  0.285913  0.446219  0.609014  1
  Cu  Cu114  1  0.573142  0.471830  0.575580  1
  Cu  Cu115  1  0.262807  0.125582  0.592278  1
  Cu  Cu116  1  0.619246  0.112886  0.609014  1
  Cu  Cu117  1  0.596140  0.792248  0.592278  1
  Cu  Cu118  1  0.035289  0.961164  0.589525  1
  Cu  Cu119  1  0.081275  0.602236  0.622787  1
  Cu  Cu120  1  0.058328  0.281482  0.606216  1
  Cu  Cu121  1  0.368622  0.627831  0.589525  1
  Cu  Cu122  1  0.414608  0.268902  0.622787  1
  Cu  Cu123  1  0.701956  0.294498  0.589525  1
  Cu  Cu124  1  0.391662  0.948148  0.606216  1
  Cu  Cu125  1  0.747942  0.935569  0.622787  1
  Cu  Cu126  1  0.724995  0.614815  0.606216  1
  Cu  Cu127  1  0.975881  0.099748  0.625868  1
  Cu  Cu128  1  0.021980  0.741290  0.659209  1
  Cu  Cu129  1  0.998788  0.419982  0.642478  1
  Cu  Cu130  1  0.309215  0.766415  0.625868  1
  Cu  Cu131  1  0.355313  0.407957  0.659209  1
  Cu  Cu132  1  0.642548  0.433081  0.625868  1
  Cu  Cu133  1  0.332121  0.086648  0.642478  1
  Cu  Cu134  1  0.688647  0.074624  0.659209  1
  Cu  Cu135  1  0.665455  0.753315  0.642478  1
  Cu  Cu136  1  0.105266  0.922503  0.639596  1
  Cu  Cu137  1  0.150251  0.563543  0.672219  1
  Cu  Cu138  1  0.128379  0.242916  0.656252  1
  Cu  Cu139  1  0.438599  0.589170  0.639596  1
  Cu  Cu140  1  0.483585  0.230209  0.672219  1
  Cu  Cu141  1  0.771933  0.255837  0.639596  1
  Cu  Cu142  1  0.461713  0.909583  0.656252  1
  Cu  Cu143  1  0.816918  0.896876  0.672219  1
  Cu  Cu144  1  0.795046  0.576250  0.656252  1
  Cu  Cu145  1  0.046388  0.060644  0.675984  1
  Cu  Cu146  1  0.093858  0.702625  0.708252  1
  Cu  Cu147  1  0.069561  0.381395  0.692400  1
  Cu  Cu148  1  0.379722  0.727311  0.675984  1
  Cu  Cu149  1  0.427192  0.369292  0.708252  1
  Cu  Cu150  1  0.713055  0.393978  0.675984  1
  Cu  Cu151  1  0.402895  0.048062  0.692400  1
  Cu  Cu152  1  0.760525  0.035958  0.708252  1
  Cu  Cu153  1  0.736228  0.714729  0.692400  1
  Cu  Cu154  1  0.176479  0.885009  0.689289  1
  Cu  Cu155  1  0.225774  0.526599  0.720193  1
  Cu  Cu156  1  0.199667  0.203983  0.705559  1
  Cu  Cu157  1  0.509812  0.551675  0.689289  1
  Cu  Cu158  1  0.559108  0.193265  0.720193  1
  Cu  Cu159  1  0.843145  0.218342  0.689289  1
  Cu  Cu160  1  0.533000  0.870649  0.705559  1
  Cu  Cu161  1  0.892441  0.859932  0.720193  1
  Cu  Cu162  1  0.866333  0.537316  0.705559  1
