# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75377693
_cell_length_b   12.85563159
_cell_length_c   49.57101160
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.15810346
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu162
_cell_volume   4300.90417264
_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  0.550342  0.175303  0.316413  1
  Cu  Cu2  1  0.529616  0.853061  0.300665  1
  Cu  Cu3  1  0.506175  0.531149  0.285190  1
  Cu  Cu4  1  0.883676  0.841969  0.316413  1
  Cu  Cu5  1  0.862950  0.519728  0.300665  1
  Cu  Cu6  1  0.217009  0.508636  0.316413  1
  Cu  Cu7  1  0.839508  0.197816  0.285190  1
  Cu  Cu8  1  0.196283  0.186394  0.300665  1
  Cu  Cu9  1  0.172842  0.864482  0.285190  1
  Cu  Cu10  1  0.639045  0.355369  0.298019  1
  Cu  Cu11  1  0.619662  0.032970  0.282894  1
  Cu  Cu12  1  0.659053  0.676018  0.313968  1
  Cu  Cu13  1  0.972378  0.022036  0.298019  1
  Cu  Cu14  1  0.952996  0.699637  0.282894  1
  Cu  Cu15  1  0.305712  0.688703  0.298019  1
  Cu  Cu16  1  0.992386  0.342685  0.313968  1
  Cu  Cu17  1  0.286329  0.366304  0.282894  1
  Cu  Cu18  1  0.325720  0.009352  0.313968  1
  Cu  Cu19  1  0.620744  0.136155  0.366585  1
  Cu  Cu20  1  0.598415  0.815093  0.349828  1
  Cu  Cu21  1  0.574613  0.494380  0.333256  1
  Cu  Cu22  1  0.954078  0.802822  0.366585  1
  Cu  Cu23  1  0.931749  0.481760  0.349828  1
  Cu  Cu24  1  0.287411  0.469489  0.366585  1
  Cu  Cu25  1  0.907946  0.161046  0.333256  1
  Cu  Cu26  1  0.265082  0.148426  0.349828  1
  Cu  Cu27  1  0.241280  0.827713  0.333256  1
  Cu  Cu28  1  0.705208  0.317133  0.347137  1
  Cu  Cu29  1  0.681725  0.997418  0.330876  1
  Cu  Cu30  1  0.726922  0.637641  0.363927  1
  Cu  Cu31  1  0.038541  0.983800  0.347137  1
  Cu  Cu32  1  0.015058  0.664084  0.330876  1
  Cu  Cu33  1  0.371875  0.650467  0.347137  1
  Cu  Cu34  1  0.060255  0.304307  0.363927  1
  Cu  Cu35  1  0.348391  0.330751  0.330876  1
  Cu  Cu36  1  0.393588  0.970974  0.363927  1
  Cu  Cu37  1  0.689943  0.097589  0.416724  1
  Cu  Cu38  1  0.667003  0.777006  0.399973  1
  Cu  Cu39  1  0.644041  0.456355  0.383241  1
  Cu  Cu40  1  0.023276  0.764256  0.416724  1
  Cu  Cu41  1  1.000336  0.443673  0.399973  1
  Cu  Cu42  1  0.356609  0.430922  0.416724  1
  Cu  Cu43  1  0.977374  0.123022  0.383241  1
  Cu  Cu44  1  0.333669  0.110339  0.399973  1
  Cu  Cu45  1  0.310708  0.789689  0.383241  1
  Cu  Cu46  1  0.772394  0.279013  0.397382  1
  Cu  Cu47  1  0.749577  0.958514  0.380678  1
  Cu  Cu48  1  0.795061  0.599530  0.414125  1
  Cu  Cu49  1  0.105727  0.945680  0.397382  1
  Cu  Cu50  1  0.082910  0.625180  0.380678  1
  Cu  Cu51  1  0.439061  0.612347  0.397382  1
  Cu  Cu52  1  0.128394  0.266197  0.414125  1
  Cu  Cu53  1  0.416244  0.291847  0.380678  1
  Cu  Cu54  1  0.461727  0.932863  0.414125  1
  Cu  Cu55  1  0.758574  0.059228  0.466881  1
  Cu  Cu56  1  0.735669  0.738687  0.450153  1
  Cu  Cu57  1  0.712823  0.418121  0.433423  1
  Cu  Cu58  1  0.091907  0.725895  0.466881  1
  Cu  Cu59  1  0.069002  0.405354  0.450153  1
  Cu  Cu60  1  0.425241  0.392561  0.466881  1
  Cu  Cu61  1  0.046157  0.084788  0.433423  1
  Cu  Cu62  1  0.402335  0.072021  0.450153  1
  Cu  Cu63  1  0.379490  0.751455  0.433423  1
  Cu  Cu64  1  0.840802  0.240662  0.447575  1
  Cu  Cu65  1  0.817958  0.920100  0.430833  1
  Cu  Cu66  1  0.863669  0.561210  0.464295  1
  Cu  Cu67  1  0.174135  0.907329  0.447575  1
  Cu  Cu68  1  0.151291  0.586767  0.430833  1
  Cu  Cu69  1  0.507468  0.573996  0.447575  1
  Cu  Cu70  1  0.197003  0.227877  0.464295  1
  Cu  Cu71  1  0.484624  0.253433  0.430833  1
  Cu  Cu72  1  0.530336  0.894543  0.464295  1
  Cu  Cu73  1  0.827156  0.020901  0.517058  1
  Cu  Cu74  1  0.804291  0.700344  0.500327  1
  Cu  Cu75  1  0.781423  0.379794  0.483605  1
  Cu  Cu76  1  0.160490  0.687568  0.517058  1
  Cu  Cu77  1  0.137624  0.367011  0.500327  1
  Cu  Cu78  1  0.493823  0.354234  0.517058  1
  Cu  Cu79  1  0.114756  0.046461  0.483605  1
  Cu  Cu80  1  0.470958  0.033678  0.500327  1
  Cu  Cu81  1  0.448090  0.713127  0.483605  1
  Cu  Cu82  1  0.909396  0.202318  0.497749  1
  Cu  Cu83  1  0.886531  0.881761  0.481018  1
  Cu  Cu84  1  0.932264  0.522868  0.514471  1
  Cu  Cu85  1  0.242730  0.868984  0.497749  1
  Cu  Cu86  1  0.219864  0.548428  0.481018  1
  Cu  Cu87  1  0.576063  0.535651  0.497749  1
  Cu  Cu88  1  0.265598  0.189534  0.514471  1
  Cu  Cu89  1  0.553198  0.215094  0.481018  1
  Cu  Cu90  1  0.598931  0.856201  0.514471  1
  Cu  Cu91  1  0.895730  0.982562  0.567244  1
  Cu  Cu92  1  0.872886  0.662000  0.550501  1
  Cu  Cu93  1  0.850018  0.341452  0.533781  1
  Cu  Cu94  1  0.229063  0.649229  0.567244  1
  Cu  Cu95  1  0.206219  0.328666  0.550501  1
  Cu  Cu96  1  0.562396  0.315895  0.567244  1
  Cu  Cu97  1  0.183351  0.008119  0.533781  1
  Cu  Cu98  1  0.539552  0.995333  0.550501  1
  Cu  Cu99  1  0.516685  0.674785  0.533781  1
  Cu  Cu100  1  0.978019  0.163975  0.547923  1
  Cu  Cu101  1  0.955113  0.843434  0.531195  1
  Cu  Cu102  1  1.000864  0.484541  0.564653  1
  Cu  Cu103  1  0.311352  0.830641  0.547923  1
  Cu  Cu104  1  0.288447  0.510101  0.531195  1
  Cu  Cu105  1  0.644685  0.497308  0.547923  1
  Cu  Cu106  1  0.334197  0.151207  0.564653  1
  Cu  Cu107  1  0.621780  0.176767  0.531195  1
  Cu  Cu108  1  0.667531  0.817874  0.564653  1
  Cu  Cu109  1  0.964110  0.944148  0.617398  1
  Cu  Cu110  1  0.941293  0.623649  0.600695  1
  Cu  Cu111  1  0.918627  0.303132  0.583951  1
  Cu  Cu112  1  0.297444  0.610815  0.617398  1
  Cu  Cu113  1  0.274627  0.290315  0.600695  1
  Cu  Cu114  1  0.630777  0.277482  0.617398  1
  Cu  Cu115  1  0.251960  0.969798  0.583951  1
  Cu  Cu116  1  0.607960  0.956982  0.600695  1
  Cu  Cu117  1  0.585293  0.636465  0.583951  1
  Cu  Cu118  1  0.046685  0.125656  0.598103  1
  Cu  Cu119  1  0.023745  0.805073  0.581352  1
  Cu  Cu120  1  0.069646  0.446306  0.614835  1
  Cu  Cu121  1  0.380018  0.792322  0.598103  1
  Cu  Cu122  1  0.357078  0.471740  0.581352  1
  Cu  Cu123  1  0.713351  0.458989  0.598103  1
  Cu  Cu124  1  0.402980  0.112973  0.614835  1
  Cu  Cu125  1  0.690411  0.138406  0.581352  1
  Cu  Cu126  1  0.736313  0.779640  0.614835  1
  Cu  Cu127  1  0.031963  0.905244  0.667200  1
  Cu  Cu128  1  0.008479  0.585529  0.650939  1
  Cu  Cu129  1  0.986766  0.265021  0.634150  1
  Cu  Cu130  1  0.365296  0.571911  0.667200  1
  Cu  Cu131  1  0.341813  0.252195  0.650939  1
  Cu  Cu132  1  0.698629  0.238577  0.667200  1
  Cu  Cu133  1  0.320099  0.931688  0.634150  1
  Cu  Cu134  1  0.675146  0.918862  0.650939  1
  Cu  Cu135  1  0.653432  0.598355  0.634150  1
  Cu  Cu136  1  0.115272  0.087569  0.648248  1
  Cu  Cu137  1  0.092943  0.766506  0.631491  1
  Cu  Cu138  1  0.139074  0.408282  0.664821  1
  Cu  Cu139  1  0.448605  0.754236  0.648248  1
  Cu  Cu140  1  0.426276  0.433173  0.631491  1
  Cu  Cu141  1  0.781939  0.420902  0.648248  1
  Cu  Cu142  1  0.472408  0.074949  0.664821  1
  Cu  Cu143  1  0.759610  0.099840  0.631491  1
  Cu  Cu144  1  0.805741  0.741616  0.664821  1
  Cu  Cu145  1  0.094025  0.869692  0.715182  1
  Cu  Cu146  1  0.074642  0.547293  0.700057  1
  Cu  Cu147  1  0.054634  0.226644  0.684108  1
  Cu  Cu148  1  0.427358  0.536358  0.715182  1
  Cu  Cu149  1  0.407976  0.213959  0.700057  1
  Cu  Cu150  1  0.760692  0.203025  0.715182  1
  Cu  Cu151  1  0.387968  0.893310  0.684108  1
  Cu  Cu152  1  0.741309  0.880626  0.700057  1
  Cu  Cu153  1  0.721301  0.559977  0.684108  1
  Cu  Cu154  1  0.184071  0.049601  0.697411  1
  Cu  Cu155  1  0.163345  0.727359  0.681663  1
  Cu  Cu156  1  0.207512  0.371513  0.712886  1
  Cu  Cu157  1  0.517404  0.716268  0.697411  1
  Cu  Cu158  1  0.496678  0.394026  0.681663  1
  Cu  Cu159  1  0.850738  0.382934  0.697411  1
  Cu  Cu160  1  0.540846  0.038180  0.712886  1
  Cu  Cu161  1  0.830012  0.060692  0.681663  1
  Cu  Cu162  1  0.874179  0.704846  0.712886  1
