# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72922590
_cell_length_b   12.68183864
_cell_length_c   49.31806920
_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   4205.72905389
_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  0.485986  0.368422  0.277716  1
  Cu  Cu2  1  0.535281  0.010013  0.308620  1
  Cu  Cu3  1  0.512093  0.691038  0.292350  1
  Cu  Cu4  1  0.819320  0.035088  0.277716  1
  Cu  Cu5  1  0.868614  0.676679  0.308620  1
  Cu  Cu6  1  0.152653  0.701755  0.277716  1
  Cu  Cu7  1  0.845426  0.357705  0.292350  1
  Cu  Cu8  1  0.201948  0.343346  0.308620  1
  Cu  Cu9  1  0.178759  0.024371  0.292350  1
  Cu  Cu10  1  0.617906  0.192396  0.289657  1
  Cu  Cu11  1  0.665375  0.834377  0.321925  1
  Cu  Cu12  1  0.642201  0.513625  0.305509  1
  Cu  Cu13  1  0.951240  0.859062  0.289657  1
  Cu  Cu14  1  0.998708  0.501044  0.321925  1
  Cu  Cu15  1  0.284573  0.525729  0.289657  1
  Cu  Cu16  1  0.975535  0.180292  0.305509  1
  Cu  Cu17  1  0.332041  0.167711  0.321925  1
  Cu  Cu18  1  0.308868  0.846959  0.305509  1
  Cu  Cu19  1  0.561509  0.331478  0.325691  1
  Cu  Cu20  1  0.606494  0.972518  0.358313  1
  Cu  Cu21  1  0.583381  0.652105  0.341658  1
  Cu  Cu22  1  0.894842  0.998145  0.325691  1
  Cu  Cu23  1  0.939827  0.639184  0.358313  1
  Cu  Cu24  1  0.228175  0.664812  0.325691  1
  Cu  Cu25  1  0.916714  0.318771  0.341658  1
  Cu  Cu26  1  0.273161  0.305851  0.358313  1
  Cu  Cu27  1  0.250047  0.985438  0.341658  1
  Cu  Cu28  1  0.689783  0.153731  0.338701  1
  Cu  Cu29  1  0.735882  0.795273  0.372041  1
  Cu  Cu30  1  0.712975  0.475040  0.355431  1
  Cu  Cu31  1  0.023116  0.820397  0.338701  1
  Cu  Cu32  1  0.069215  0.461940  0.372041  1
  Cu  Cu33  1  0.356450  0.487064  0.338701  1
  Cu  Cu34  1  0.046309  0.141706  0.355431  1
  Cu  Cu35  1  0.402548  0.128607  0.372041  1
  Cu  Cu36  1  0.379642  0.808373  0.355431  1
  Cu  Cu37  1  0.630485  0.292785  0.375123  1
  Cu  Cu38  1  0.676471  0.933857  0.408385  1
  Cu  Cu39  1  0.653432  0.613539  0.391694  1
  Cu  Cu40  1  0.963818  0.959452  0.375123  1
  Cu  Cu41  1  0.009804  0.600524  0.408385  1
  Cu  Cu42  1  0.297152  0.626119  0.375123  1
  Cu  Cu43  1  0.986765  0.280206  0.391694  1
  Cu  Cu44  1  0.343137  0.267190  0.408385  1
  Cu  Cu45  1  0.320098  0.946873  0.391694  1
  Cu  Cu46  1  0.759183  0.115469  0.388895  1
  Cu  Cu47  1  0.805287  0.756525  0.422329  1
  Cu  Cu48  1  0.782290  0.436106  0.405631  1
  Cu  Cu49  1  0.092517  0.782136  0.388895  1
  Cu  Cu50  1  0.138621  0.423191  0.422329  1
  Cu  Cu51  1  0.425850  0.448802  0.388895  1
  Cu  Cu52  1  0.115623  0.102773  0.405631  1
  Cu  Cu53  1  0.471954  0.089858  0.422329  1
  Cu  Cu54  1  0.448956  0.769440  0.405631  1
  Cu  Cu55  1  0.699656  0.254354  0.425128  1
  Cu  Cu56  1  0.745578  0.895305  0.458516  1
  Cu  Cu57  1  0.722609  0.574874  0.441807  1
  Cu  Cu58  1  0.032989  0.921020  0.425128  1
  Cu  Cu59  1  0.078912  0.561972  0.458516  1
  Cu  Cu60  1  0.366322  0.587687  0.425128  1
  Cu  Cu61  1  0.055942  0.241541  0.441807  1
  Cu  Cu62  1  0.412245  0.228638  0.458516  1
  Cu  Cu63  1  0.389276  0.908208  0.441807  1
  Cu  Cu64  1  0.828308  0.076916  0.439085  1
  Cu  Cu65  1  0.874281  0.717871  0.472522  1
  Cu  Cu66  1  0.851323  0.397420  0.455809  1
  Cu  Cu67  1  0.161642  0.743583  0.439085  1
  Cu  Cu68  1  0.207614  0.384537  0.472522  1
  Cu  Cu69  1  0.494975  0.410250  0.439085  1
  Cu  Cu70  1  0.184657  0.064087  0.455809  1
  Cu  Cu71  1  0.540948  0.051204  0.472522  1
  Cu  Cu72  1  0.517990  0.730754  0.455809  1
  Cu  Cu73  1  0.768584  0.215771  0.475241  1
  Cu  Cu74  1  0.814496  0.856705  0.508666  1
  Cu  Cu75  1  0.791532  0.536243  0.491949  1
  Cu  Cu76  1  0.101917  0.882438  0.475241  1
  Cu  Cu77  1  0.147829  0.523372  0.508666  1
  Cu  Cu78  1  0.435250  0.549104  0.475241  1
  Cu  Cu79  1  0.124865  0.202909  0.491949  1
  Cu  Cu80  1  0.481163  0.190039  0.508666  1
  Cu  Cu81  1  0.458198  0.869576  0.491949  1
  Cu  Cu82  1  0.897259  0.038315  0.489250  1
  Cu  Cu83  1  0.943172  0.679249  0.522676  1
  Cu  Cu84  1  0.920223  0.358778  0.505968  1
  Cu  Cu85  1  0.230593  0.704982  0.489250  1
  Cu  Cu86  1  0.276505  0.345916  0.522676  1
  Cu  Cu87  1  0.563926  0.371648  0.489250  1
  Cu  Cu88  1  0.253557  0.025444  0.505968  1
  Cu  Cu89  1  0.609838  0.012583  0.522676  1
  Cu  Cu90  1  0.586890  0.692111  0.505968  1
  Cu  Cu91  1  0.837474  0.177150  0.525395  1
  Cu  Cu92  1  0.883447  0.818104  0.558832  1
  Cu  Cu93  1  0.860432  0.497600  0.542107  1
  Cu  Cu94  1  0.170808  0.843816  0.525395  1
  Cu  Cu95  1  0.216780  0.484771  0.558832  1
  Cu  Cu96  1  0.504141  0.510483  0.525395  1
  Cu  Cu97  1  0.193765  0.164267  0.542107  1
  Cu  Cu98  1  0.550114  0.151437  0.558832  1
  Cu  Cu99  1  0.527099  0.830933  0.542107  1
  Cu  Cu100  1  0.966177  0.999715  0.539400  1
  Cu  Cu101  1  0.012100  0.640667  0.572789  1
  Cu  Cu102  1  0.989146  0.320146  0.556109  1
  Cu  Cu103  1  0.299510  0.666382  0.539400  1
  Cu  Cu104  1  0.345433  0.307333  0.572789  1
  Cu  Cu105  1  0.632844  0.333049  0.539400  1
  Cu  Cu106  1  0.322480  0.986813  0.556109  1
  Cu  Cu107  1  0.678766  0.974000  0.572789  1
  Cu  Cu108  1  0.655813  0.653479  0.556109  1
  Cu  Cu109  1  0.906468  0.138496  0.575587  1
  Cu  Cu110  1  0.952572  0.779551  0.609021  1
  Cu  Cu111  1  0.929466  0.458914  0.592285  1
  Cu  Cu112  1  0.239801  0.805162  0.575587  1
  Cu  Cu113  1  0.285905  0.446218  0.609021  1
  Cu  Cu114  1  0.573135  0.471829  0.575587  1
  Cu  Cu115  1  0.262799  0.125581  0.592285  1
  Cu  Cu116  1  0.619239  0.112885  0.609021  1
  Cu  Cu117  1  0.596132  0.792247  0.592285  1
  Cu  Cu118  1  0.035284  0.961163  0.589531  1
  Cu  Cu119  1  0.081270  0.602235  0.622794  1
  Cu  Cu120  1  0.058324  0.281481  0.606222  1
  Cu  Cu121  1  0.368618  0.627830  0.589531  1
  Cu  Cu122  1  0.414604  0.268902  0.622794  1
  Cu  Cu123  1  0.701951  0.294497  0.589531  1
  Cu  Cu124  1  0.391657  0.948148  0.606222  1
  Cu  Cu125  1  0.747937  0.935568  0.622794  1
  Cu  Cu126  1  0.724990  0.614814  0.606222  1
  Cu  Cu127  1  0.975874  0.099747  0.625875  1
  Cu  Cu128  1  0.021972  0.741290  0.659215  1
  Cu  Cu129  1  0.998780  0.419981  0.642485  1
  Cu  Cu130  1  0.309207  0.766414  0.625875  1
  Cu  Cu131  1  0.355306  0.407956  0.659215  1
  Cu  Cu132  1  0.642540  0.433080  0.625875  1
  Cu  Cu133  1  0.332113  0.086647  0.642485  1
  Cu  Cu134  1  0.688639  0.074623  0.659215  1
  Cu  Cu135  1  0.665447  0.753314  0.642485  1
  Cu  Cu136  1  0.105261  0.922503  0.639603  1
  Cu  Cu137  1  0.150247  0.563542  0.672225  1
  Cu  Cu138  1  0.128375  0.242916  0.656259  1
  Cu  Cu139  1  0.438595  0.589169  0.639603  1
  Cu  Cu140  1  0.483580  0.230209  0.672225  1
  Cu  Cu141  1  0.771928  0.255836  0.639603  1
  Cu  Cu142  1  0.461708  0.909582  0.656259  1
  Cu  Cu143  1  0.816913  0.896875  0.672225  1
  Cu  Cu144  1  0.795041  0.576249  0.656259  1
  Cu  Cu145  1  0.046381  0.060643  0.675991  1
  Cu  Cu146  1  0.093849  0.702625  0.708260  1
  Cu  Cu147  1  0.069554  0.381395  0.692407  1
  Cu  Cu148  1  0.379714  0.727310  0.675991  1
  Cu  Cu149  1  0.427182  0.369291  0.708260  1
  Cu  Cu150  1  0.713047  0.393976  0.675991  1
  Cu  Cu151  1  0.402887  0.048062  0.692407  1
  Cu  Cu152  1  0.760516  0.035958  0.708260  1
  Cu  Cu153  1  0.736221  0.714728  0.692407  1
  Cu  Cu154  1  0.176474  0.885008  0.689296  1
  Cu  Cu155  1  0.225769  0.526599  0.720200  1
  Cu  Cu156  1  0.199663  0.203982  0.705566  1
  Cu  Cu157  1  0.509808  0.551674  0.689296  1
  Cu  Cu158  1  0.559102  0.193266  0.720200  1
  Cu  Cu159  1  0.843141  0.218341  0.689296  1
  Cu  Cu160  1  0.532996  0.870649  0.705566  1
  Cu  Cu161  1  0.892435  0.859932  0.720200  1
  Cu  Cu162  1  0.866329  0.537316  0.705566  1
