# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72928812
_cell_length_b   12.68184055
_cell_length_c   49.32081785
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.17194882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu162
_cell_volume   4206.00290016
_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  0.368420  0.277704  1
  Cu  Cu2  1  0.535289  0.010011  0.308607  1
  Cu  Cu3  1  0.512101  0.691038  0.292337  1
  Cu  Cu4  1  0.819326  0.035087  0.277704  1
  Cu  Cu5  1  0.868622  0.676677  0.308607  1
  Cu  Cu6  1  0.152659  0.701754  0.277704  1
  Cu  Cu7  1  0.845435  0.357704  0.292337  1
  Cu  Cu8  1  0.201956  0.343344  0.308607  1
  Cu  Cu9  1  0.178768  0.024371  0.292337  1
  Cu  Cu10  1  0.617908  0.192394  0.289645  1
  Cu  Cu11  1  0.665379  0.834375  0.321913  1
  Cu  Cu12  1  0.642205  0.513624  0.305497  1
  Cu  Cu13  1  0.951242  0.859060  0.289645  1
  Cu  Cu14  1  0.998712  0.501042  0.321913  1
  Cu  Cu15  1  0.284575  0.525727  0.289645  1
  Cu  Cu16  1  0.975538  0.180291  0.305497  1
  Cu  Cu17  1  0.332046  0.167708  0.321913  1
  Cu  Cu18  1  0.308872  0.846957  0.305497  1
  Cu  Cu19  1  0.561516  0.331477  0.325677  1
  Cu  Cu20  1  0.606502  0.972516  0.358299  1
  Cu  Cu21  1  0.583388  0.652103  0.341644  1
  Cu  Cu22  1  0.894850  0.998144  0.325677  1
  Cu  Cu23  1  0.939835  0.639183  0.358299  1
  Cu  Cu24  1  0.228183  0.664810  0.325677  1
  Cu  Cu25  1  0.916722  0.318770  0.341644  1
  Cu  Cu26  1  0.273169  0.305849  0.358299  1
  Cu  Cu27  1  0.250055  0.985437  0.341644  1
  Cu  Cu28  1  0.689787  0.153729  0.338687  1
  Cu  Cu29  1  0.735885  0.795271  0.372027  1
  Cu  Cu30  1  0.712979  0.475038  0.355417  1
  Cu  Cu31  1  0.023120  0.820396  0.338687  1
  Cu  Cu32  1  0.069219  0.461938  0.372027  1
  Cu  Cu33  1  0.356453  0.487062  0.338687  1
  Cu  Cu34  1  0.046312  0.141704  0.355417  1
  Cu  Cu35  1  0.402552  0.128604  0.372027  1
  Cu  Cu36  1  0.379646  0.808371  0.355417  1
  Cu  Cu37  1  0.630493  0.292784  0.375108  1
  Cu  Cu38  1  0.676479  0.933855  0.408370  1
  Cu  Cu39  1  0.653439  0.613537  0.391679  1
  Cu  Cu40  1  0.963826  0.959450  0.375108  1
  Cu  Cu41  1  0.009812  0.600521  0.408370  1
  Cu  Cu42  1  0.297159  0.626117  0.375108  1
  Cu  Cu43  1  0.986773  0.280204  0.391679  1
  Cu  Cu44  1  0.343146  0.267188  0.408370  1
  Cu  Cu45  1  0.320106  0.946870  0.391679  1
  Cu  Cu46  1  0.759187  0.115467  0.388881  1
  Cu  Cu47  1  0.805291  0.756522  0.422314  1
  Cu  Cu48  1  0.782293  0.436103  0.405617  1
  Cu  Cu49  1  0.092521  0.782133  0.388881  1
  Cu  Cu50  1  0.138625  0.423188  0.422314  1
  Cu  Cu51  1  0.425854  0.448800  0.388881  1
  Cu  Cu52  1  0.115627  0.102770  0.405617  1
  Cu  Cu53  1  0.471958  0.089855  0.422314  1
  Cu  Cu54  1  0.448960  0.769437  0.405617  1
  Cu  Cu55  1  0.699664  0.254351  0.425112  1
  Cu  Cu56  1  0.745586  0.895302  0.458500  1
  Cu  Cu57  1  0.722617  0.574871  0.441791  1
  Cu  Cu58  1  0.032997  0.921018  0.425112  1
  Cu  Cu59  1  0.078920  0.561968  0.458500  1
  Cu  Cu60  1  0.366330  0.587684  0.425112  1
  Cu  Cu61  1  0.055950  0.241538  0.441791  1
  Cu  Cu62  1  0.412253  0.228635  0.458500  1
  Cu  Cu63  1  0.389284  0.908205  0.441791  1
  Cu  Cu64  1  0.828312  0.076913  0.439069  1
  Cu  Cu65  1  0.874285  0.717867  0.472506  1
  Cu  Cu66  1  0.851327  0.397417  0.455793  1
  Cu  Cu67  1  0.161646  0.743580  0.439069  1
  Cu  Cu68  1  0.207618  0.384534  0.472506  1
  Cu  Cu69  1  0.494979  0.410246  0.439069  1
  Cu  Cu70  1  0.184661  0.064083  0.455793  1
  Cu  Cu71  1  0.540952  0.051200  0.472506  1
  Cu  Cu72  1  0.517994  0.730750  0.455793  1
  Cu  Cu73  1  0.768592  0.215767  0.475224  1
  Cu  Cu74  1  0.814504  0.856701  0.508649  1
  Cu  Cu75  1  0.791540  0.536239  0.491932  1
  Cu  Cu76  1  0.101925  0.882434  0.475224  1
  Cu  Cu77  1  0.147838  0.523368  0.508649  1
  Cu  Cu78  1  0.435258  0.549101  0.475224  1
  Cu  Cu79  1  0.124873  0.202905  0.491932  1
  Cu  Cu80  1  0.481171  0.190034  0.508649  1
  Cu  Cu81  1  0.458207  0.869572  0.491932  1
  Cu  Cu82  1  0.897264  0.038311  0.489233  1
  Cu  Cu83  1  0.943176  0.679245  0.522658  1
  Cu  Cu84  1  0.920228  0.358773  0.505951  1
  Cu  Cu85  1  0.230597  0.704978  0.489233  1
  Cu  Cu86  1  0.276509  0.345911  0.522658  1
  Cu  Cu87  1  0.563930  0.371644  0.489233  1
  Cu  Cu88  1  0.253561  0.025440  0.505951  1
  Cu  Cu89  1  0.609843  0.012578  0.522658  1
  Cu  Cu90  1  0.586894  0.692107  0.505951  1
  Cu  Cu91  1  0.837483  0.177145  0.525377  1
  Cu  Cu92  1  0.883456  0.818099  0.558813  1
  Cu  Cu93  1  0.860441  0.497595  0.542089  1
  Cu  Cu94  1  0.170816  0.843812  0.525377  1
  Cu  Cu95  1  0.216789  0.484766  0.558813  1
  Cu  Cu96  1  0.504149  0.510479  0.525377  1
  Cu  Cu97  1  0.193774  0.164262  0.542089  1
  Cu  Cu98  1  0.550122  0.151432  0.558813  1
  Cu  Cu99  1  0.527107  0.830929  0.542089  1
  Cu  Cu100  1  0.966181  0.999710  0.539383  1
  Cu  Cu101  1  0.012104  0.640661  0.572770  1
  Cu  Cu102  1  0.989151  0.320141  0.556091  1
  Cu  Cu103  1  0.299515  0.666377  0.539383  1
  Cu  Cu104  1  0.345438  0.307328  0.572770  1
  Cu  Cu105  1  0.632848  0.333044  0.539383  1
  Cu  Cu106  1  0.322484  0.986807  0.556091  1
  Cu  Cu107  1  0.678771  0.973995  0.572770  1
  Cu  Cu108  1  0.655817  0.653474  0.556091  1
  Cu  Cu109  1  0.906476  0.138491  0.575568  1
  Cu  Cu110  1  0.952581  0.779545  0.609002  1
  Cu  Cu111  1  0.929475  0.458909  0.592266  1
  Cu  Cu112  1  0.239810  0.805157  0.575568  1
  Cu  Cu113  1  0.285914  0.446212  0.609002  1
  Cu  Cu114  1  0.573143  0.471824  0.575568  1
  Cu  Cu115  1  0.262808  0.125575  0.592266  1
  Cu  Cu116  1  0.619247  0.112879  0.609002  1
  Cu  Cu117  1  0.596141  0.792242  0.592266  1
  Cu  Cu118  1  0.035289  0.961158  0.589513  1
  Cu  Cu119  1  0.081275  0.602228  0.622775  1
  Cu  Cu120  1  0.058328  0.281475  0.606204  1
  Cu  Cu121  1  0.368622  0.627824  0.589513  1
  Cu  Cu122  1  0.414608  0.268895  0.622775  1
  Cu  Cu123  1  0.701956  0.294491  0.589513  1
  Cu  Cu124  1  0.391662  0.948142  0.606204  1
  Cu  Cu125  1  0.747942  0.935562  0.622775  1
  Cu  Cu126  1  0.724995  0.614808  0.606204  1
  Cu  Cu127  1  0.975882  0.099741  0.625855  1
  Cu  Cu128  1  0.021981  0.741283  0.659195  1
  Cu  Cu129  1  0.998789  0.419974  0.642465  1
  Cu  Cu130  1  0.309216  0.766408  0.625855  1
  Cu  Cu131  1  0.355314  0.407950  0.659195  1
  Cu  Cu132  1  0.642549  0.433074  0.625855  1
  Cu  Cu133  1  0.332122  0.086641  0.642465  1
  Cu  Cu134  1  0.688648  0.074617  0.659195  1
  Cu  Cu135  1  0.665456  0.753308  0.642465  1
  Cu  Cu136  1  0.105266  0.922496  0.639583  1
  Cu  Cu137  1  0.150251  0.563535  0.672205  1
  Cu  Cu138  1  0.128380  0.242909  0.656239  1
  Cu  Cu139  1  0.438599  0.589163  0.639583  1
  Cu  Cu140  1  0.483585  0.230202  0.672205  1
  Cu  Cu141  1  0.771933  0.255829  0.639583  1
  Cu  Cu142  1  0.461713  0.909576  0.656239  1
  Cu  Cu143  1  0.816918  0.896868  0.672205  1
  Cu  Cu144  1  0.795046  0.576242  0.656239  1
  Cu  Cu145  1  0.046389  0.060637  0.675970  1
  Cu  Cu146  1  0.093860  0.702618  0.708238  1
  Cu  Cu147  1  0.069563  0.381388  0.692386  1
  Cu  Cu148  1  0.379722  0.727304  0.675970  1
  Cu  Cu149  1  0.427193  0.369285  0.708238  1
  Cu  Cu150  1  0.713056  0.393970  0.675970  1
  Cu  Cu151  1  0.402896  0.048055  0.692386  1
  Cu  Cu152  1  0.760526  0.035952  0.708238  1
  Cu  Cu153  1  0.736230  0.714721  0.692386  1
  Cu  Cu154  1  0.176479  0.885002  0.689275  1
  Cu  Cu155  1  0.225776  0.526592  0.720179  1
  Cu  Cu156  1  0.199667  0.203974  0.705545  1
  Cu  Cu157  1  0.509812  0.551668  0.689275  1
  Cu  Cu158  1  0.559109  0.193258  0.720179  1
  Cu  Cu159  1  0.843145  0.218335  0.689275  1
  Cu  Cu160  1  0.533000  0.870641  0.705545  1
  Cu  Cu161  1  0.892442  0.859925  0.720179  1
  Cu  Cu162  1  0.866333  0.537308  0.705545  1
