# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73662135
_cell_length_b   12.74163554
_cell_length_c   49.34312614
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.16709339
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu162
_cell_volume   4232.36639412
_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  0.488369  0.369577  0.276760  1
  Cu  Cu2  1  0.538518  0.010592  0.308316  1
  Cu  Cu3  1  0.515037  0.692000  0.291788  1
  Cu  Cu4  1  0.821702  0.036244  0.276760  1
  Cu  Cu5  1  0.871852  0.677259  0.308316  1
  Cu  Cu6  1  0.155036  0.702910  0.276760  1
  Cu  Cu7  1  0.848370  0.358666  0.291788  1
  Cu  Cu8  1  0.205185  0.343925  0.308316  1
  Cu  Cu9  1  0.181703  0.025333  0.291788  1
  Cu  Cu10  1  0.617706  0.193108  0.289146  1
  Cu  Cu11  1  0.666292  0.834590  0.322063  1
  Cu  Cu12  1  0.642921  0.514183  0.305345  1
  Cu  Cu13  1  0.951039  0.859774  0.289146  1
  Cu  Cu14  1  0.999626  0.501256  0.322063  1
  Cu  Cu15  1  0.284373  0.526441  0.289146  1
  Cu  Cu16  1  0.976254  0.180850  0.305345  1
  Cu  Cu17  1  0.332959  0.167923  0.322063  1
  Cu  Cu18  1  0.309588  0.847516  0.305345  1
  Cu  Cu19  1  0.563683  0.332303  0.325411  1
  Cu  Cu20  1  0.608398  0.973170  0.358358  1
  Cu  Cu21  1  0.585620  0.652726  0.341626  1
  Cu  Cu22  1  0.897017  0.998970  0.325411  1
  Cu  Cu23  1  0.941731  0.639836  0.358358  1
  Cu  Cu24  1  0.230350  0.665637  0.325411  1
  Cu  Cu25  1  0.918953  0.319393  0.341626  1
  Cu  Cu26  1  0.275065  0.306503  0.358358  1
  Cu  Cu27  1  0.252287  0.986060  0.341626  1
  Cu  Cu28  1  0.690498  0.154460  0.338782  1
  Cu  Cu29  1  0.737132  0.795845  0.372205  1
  Cu  Cu30  1  0.714043  0.475593  0.355568  1
  Cu  Cu31  1  0.023831  0.821126  0.338782  1
  Cu  Cu32  1  0.070465  0.462512  0.372205  1
  Cu  Cu33  1  0.357165  0.487793  0.338782  1
  Cu  Cu34  1  0.047377  0.142259  0.355568  1
  Cu  Cu35  1  0.403799  0.129179  0.372205  1
  Cu  Cu36  1  0.380710  0.808926  0.355568  1
  Cu  Cu37  1  0.631822  0.293488  0.375106  1
  Cu  Cu38  1  0.677255  0.934538  0.408377  1
  Cu  Cu39  1  0.654474  0.614197  0.391704  1
  Cu  Cu40  1  0.965155  0.960155  0.375106  1
  Cu  Cu41  1  0.010589  0.601204  0.408377  1
  Cu  Cu42  1  0.298488  0.626822  0.375106  1
  Cu  Cu43  1  0.987807  0.280864  0.391704  1
  Cu  Cu44  1  0.343922  0.267871  0.408377  1
  Cu  Cu45  1  0.321140  0.947531  0.391704  1
  Cu  Cu46  1  0.760387  0.116147  0.388949  1
  Cu  Cu47  1  0.806208  0.757131  0.422339  1
  Cu  Cu48  1  0.783323  0.436708  0.405670  1
  Cu  Cu49  1  0.093720  0.782814  0.388949  1
  Cu  Cu50  1  0.139542  0.423798  0.422339  1
  Cu  Cu51  1  0.427053  0.449480  0.388949  1
  Cu  Cu52  1  0.116657  0.103374  0.405670  1
  Cu  Cu53  1  0.472875  0.090464  0.422339  1
  Cu  Cu54  1  0.449990  0.770041  0.405670  1
  Cu  Cu55  1  0.700139  0.254984  0.425080  1
  Cu  Cu56  1  0.745534  0.895917  0.458420  1
  Cu  Cu57  1  0.722832  0.575493  0.441741  1
  Cu  Cu58  1  0.033472  0.921651  0.425080  1
  Cu  Cu59  1  0.078868  0.562583  0.458420  1
  Cu  Cu60  1  0.366805  0.588318  0.425080  1
  Cu  Cu61  1  0.056166  0.242160  0.441741  1
  Cu  Cu62  1  0.412201  0.229250  0.458420  1
  Cu  Cu63  1  0.389499  0.908827  0.441741  1
  Cu  Cu64  1  0.829043  0.077523  0.439045  1
  Cu  Cu65  1  0.874563  0.718433  0.472424  1
  Cu  Cu66  1  0.851829  0.397990  0.455742  1
  Cu  Cu67  1  0.162376  0.744190  0.439045  1
  Cu  Cu68  1  0.207896  0.385100  0.472424  1
  Cu  Cu69  1  0.495709  0.410856  0.439045  1
  Cu  Cu70  1  0.185162  0.064656  0.455742  1
  Cu  Cu71  1  0.541230  0.051766  0.472424  1
  Cu  Cu72  1  0.518496  0.731323  0.455742  1
  Cu  Cu73  1  0.768219  0.216348  0.475105  1
  Cu  Cu74  1  0.813552  0.857211  0.508466  1
  Cu  Cu75  1  0.790876  0.536785  0.491779  1
  Cu  Cu76  1  0.101553  0.883015  0.475105  1
  Cu  Cu77  1  0.146886  0.523877  0.508466  1
  Cu  Cu78  1  0.434886  0.549682  0.475105  1
  Cu  Cu79  1  0.124209  0.203452  0.491779  1
  Cu  Cu80  1  0.480219  0.190544  0.508466  1
  Cu  Cu81  1  0.457542  0.870118  0.491779  1
  Cu  Cu82  1  0.897253  0.038853  0.489111  1
  Cu  Cu83  1  0.942586  0.679715  0.522472  1
  Cu  Cu84  1  0.919929  0.359279  0.505798  1
  Cu  Cu85  1  0.230586  0.705519  0.489111  1
  Cu  Cu86  1  0.275919  0.346382  0.522472  1
  Cu  Cu87  1  0.563919  0.372186  0.489111  1
  Cu  Cu88  1  0.253263  0.025945  0.505798  1
  Cu  Cu89  1  0.609252  0.013049  0.522472  1
  Cu  Cu90  1  0.586596  0.692612  0.505798  1
  Cu  Cu91  1  0.836242  0.177631  0.525153  1
  Cu  Cu92  1  0.881762  0.818541  0.558532  1
  Cu  Cu93  1  0.858976  0.498074  0.541835  1
  Cu  Cu94  1  0.169575  0.844297  0.525153  1
  Cu  Cu95  1  0.215096  0.485207  0.558532  1
  Cu  Cu96  1  0.502909  0.510964  0.525153  1
  Cu  Cu97  1  0.192309  0.164741  0.541835  1
  Cu  Cu98  1  0.548429  0.151874  0.558532  1
  Cu  Cu99  1  0.525643  0.831407  0.541835  1
  Cu  Cu100  1  0.965271  1.000147  0.539157  1
  Cu  Cu101  1  0.010666  0.641079  0.572497  1
  Cu  Cu102  1  0.987973  0.320570  0.555836  1
  Cu  Cu103  1  0.298604  0.666814  0.539157  1
  Cu  Cu104  1  0.344000  0.307746  0.572497  1
  Cu  Cu105  1  0.631937  0.333480  0.539157  1
  Cu  Cu106  1  0.321306  0.987237  0.555836  1
  Cu  Cu107  1  0.677333  0.974412  0.572497  1
  Cu  Cu108  1  0.654639  0.653903  0.555836  1
  Cu  Cu109  1  0.904597  0.138933  0.575238  1
  Cu  Cu110  1  0.950418  0.779916  0.608628  1
  Cu  Cu111  1  0.927482  0.459356  0.591907  1
  Cu  Cu112  1  0.237930  0.805599  0.575238  1
  Cu  Cu113  1  0.283752  0.446583  0.608628  1
  Cu  Cu114  1  0.571263  0.472266  0.575238  1
  Cu  Cu115  1  0.260815  0.126023  0.591907  1
  Cu  Cu116  1  0.617085  0.113250  0.608628  1
  Cu  Cu117  1  0.594148  0.792689  0.591907  1
  Cu  Cu118  1  0.033550  0.961526  0.589200  1
  Cu  Cu119  1  0.078983  0.602575  0.622471  1
  Cu  Cu120  1  0.056331  0.281866  0.605873  1
  Cu  Cu121  1  0.366883  0.628192  0.589200  1
  Cu  Cu122  1  0.412317  0.269242  0.622471  1
  Cu  Cu123  1  0.700216  0.294859  0.589200  1
  Cu  Cu124  1  0.389665  0.948533  0.605873  1
  Cu  Cu125  1  0.745650  0.935908  0.622471  1
  Cu  Cu126  1  0.722998  0.615200  0.605873  1
  Cu  Cu127  1  0.973673  0.100218  0.625372  1
  Cu  Cu128  1  0.020307  0.741604  0.658795  1
  Cu  Cu129  1  0.996762  0.420471  0.642009  1
  Cu  Cu130  1  0.307006  0.766885  0.625372  1
  Cu  Cu131  1  0.353640  0.408270  0.658795  1
  Cu  Cu132  1  0.640340  0.433551  0.625372  1
  Cu  Cu133  1  0.330095  0.087138  0.642009  1
  Cu  Cu134  1  0.686974  0.074937  0.658795  1
  Cu  Cu135  1  0.663428  0.753804  0.642009  1
  Cu  Cu136  1  0.102407  0.922894  0.639219  1
  Cu  Cu137  1  0.147122  0.563760  0.672166  1
  Cu  Cu138  1  0.125185  0.243337  0.655951  1
  Cu  Cu139  1  0.435740  0.589560  0.639219  1
  Cu  Cu140  1  0.480455  0.230427  0.672166  1
  Cu  Cu141  1  0.769074  0.256227  0.639219  1
  Cu  Cu142  1  0.458518  0.910004  0.655951  1
  Cu  Cu143  1  0.813788  0.897093  0.672166  1
  Cu  Cu144  1  0.791852  0.576670  0.655951  1
  Cu  Cu145  1  0.044513  0.061474  0.675514  1
  Cu  Cu146  1  0.093099  0.702956  0.708431  1
  Cu  Cu147  1  0.067884  0.381880  0.692232  1
  Cu  Cu148  1  0.377846  0.728140  0.675514  1
  Cu  Cu149  1  0.426432  0.369623  0.708431  1
  Cu  Cu150  1  0.711179  0.394807  0.675514  1
  Cu  Cu151  1  0.401217  0.048547  0.692232  1
  Cu  Cu152  1  0.759766  0.036289  0.708431  1
  Cu  Cu153  1  0.734551  0.715214  0.692232  1
  Cu  Cu154  1  0.172287  0.885472  0.689261  1
  Cu  Cu155  1  0.222436  0.526487  0.720817  1
  Cu  Cu156  1  0.195768  0.204064  0.705789  1
  Cu  Cu157  1  0.505620  0.552138  0.689261  1
  Cu  Cu158  1  0.555769  0.193153  0.720817  1
  Cu  Cu159  1  0.838953  0.218805  0.689261  1
  Cu  Cu160  1  0.529102  0.870731  0.705789  1
  Cu  Cu161  1  0.889103  0.859820  0.720817  1
  Cu  Cu162  1  0.862435  0.537397  0.705789  1
