# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70812771
_cell_length_b   8.67305017
_cell_length_c   48.29661221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17544442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2805.57911105
_cell_formula_units_Z   108
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  0.374075  0.543062  0.276851  1
  Cu  Cu2  1  0.725750  0.513645  0.291936  1
  Cu  Cu3  1  0.077080  0.485724  0.307431  1
  Cu  Cu4  1  0.636878  0.238713  0.305380  1
  Cu  Cu5  1  0.989272  0.213032  0.322757  1
  Cu  Cu6  1  0.279078  0.266388  0.290239  1
  Cu  Cu7  1  0.401859  0.997752  0.299094  1
  Cu  Cu8  1  0.754232  0.973547  0.316647  1
  Cu  Cu9  1  0.041782  0.028203  0.284374  1
  Cu  Cu10  1  0.521332  0.733556  0.310031  1
  Cu  Cu11  1  0.808650  0.789259  0.278261  1
  Cu  Cu12  1  0.165145  0.760391  0.292754  1
  Cu  Cu13  1  0.434590  0.456631  0.324919  1
  Cu  Cu14  1  0.788227  0.430836  0.341213  1
  Cu  Cu15  1  0.143591  0.402726  0.357532  1
  Cu  Cu16  1  0.698669  0.156804  0.355946  1
  Cu  Cu17  1  0.054513  0.128177  0.372559  1
  Cu  Cu18  1  0.345584  0.181997  0.339025  1
  Cu  Cu19  1  0.464672  0.916937  0.349417  1
  Cu  Cu20  1  0.820316  0.889850  0.366146  1
  Cu  Cu21  1  0.111401  0.944204  0.332639  1
  Cu  Cu22  1  0.587306  0.650405  0.359455  1
  Cu  Cu23  1  0.877972  0.706015  0.326509  1
  Cu  Cu24  1  0.231878  0.676890  0.342383  1
  Cu  Cu25  1  0.498104  0.374740  0.374534  1
  Cu  Cu26  1  0.853798  0.347598  0.391119  1
  Cu  Cu27  1  0.208296  0.319937  0.407792  1
  Cu  Cu28  1  0.764482  0.073047  0.406159  1
  Cu  Cu29  1  0.119533  0.045090  0.422845  1
  Cu  Cu30  1  0.409159  0.100265  0.389443  1
  Cu  Cu31  1  0.530692  0.833959  0.399518  1
  Cu  Cu32  1  0.885899  0.806350  0.416198  1
  Cu  Cu33  1  0.175515  0.861189  0.382681  1
  Cu  Cu34  1  0.652642  0.567327  0.409460  1
  Cu  Cu35  1  0.942803  0.622537  0.376129  1
  Cu  Cu36  1  0.297442  0.594858  0.392662  1
  Cu  Cu37  1  0.563646  0.292332  0.424560  1
  Cu  Cu38  1  0.918796  0.264798  0.441257  1
  Cu  Cu39  1  0.273858  0.237172  0.457938  1
  Cu  Cu40  1  0.829930  0.989936  0.456340  1
  Cu  Cu41  1  0.185081  0.962277  0.473039  1
  Cu  Cu42  1  0.474742  0.017515  0.439636  1
  Cu  Cu43  1  0.596286  0.751046  0.449614  1
  Cu  Cu44  1  0.951492  0.723464  0.466313  1
  Cu  Cu45  1  0.241076  0.778636  0.432858  1
  Cu  Cu46  1  0.717983  0.484579  0.459560  1
  Cu  Cu47  1  0.007785  0.539773  0.426169  1
  Cu  Cu48  1  0.362808  0.512158  0.442815  1
  Cu  Cu49  1  0.629101  0.209581  0.474682  1
  Cu  Cu50  1  0.984286  0.181984  0.491390  1
  Cu  Cu51  1  0.339421  0.154380  0.508083  1
  Cu  Cu52  1  0.895483  0.907075  0.506492  1
  Cu  Cu53  1  0.250639  0.879464  0.523181  1
  Cu  Cu54  1  0.540308  0.934660  0.489787  1
  Cu  Cu55  1  0.661892  0.668232  0.499730  1
  Cu  Cu56  1  0.017084  0.640629  0.516434  1
  Cu  Cu57  1  0.306669  0.695835  0.482995  1
  Cu  Cu58  1  0.783486  0.401767  0.509683  1
  Cu  Cu59  1  0.073163  0.456964  0.476268  1
  Cu  Cu60  1  0.428276  0.429359  0.492948  1
  Cu  Cu61  1  0.694681  0.126770  0.524826  1
  Cu  Cu62  1  0.049820  0.099170  0.541541  1
  Cu  Cu63  1  0.404942  0.071556  0.558224  1
  Cu  Cu64  1  0.961011  0.824300  0.556626  1
  Cu  Cu65  1  0.316136  0.796720  0.573276  1
  Cu  Cu66  1  0.605902  0.851856  0.539929  1
  Cu  Cu67  1  0.727530  0.585449  0.549853  1
  Cu  Cu68  1  0.082679  0.557827  0.566555  1
  Cu  Cu69  1  0.372277  0.613019  0.533107  1
  Cu  Cu70  1  0.849000  0.318961  0.559834  1
  Cu  Cu71  1  0.138650  0.374132  0.526401  1
  Cu  Cu72  1  0.493809  0.346506  0.543079  1
  Cu  Cu73  1  0.760243  0.043970  0.575000  1
  Cu  Cu74  1  0.115263  0.016335  0.591727  1
  Cu  Cu75  1  0.470167  0.988835  0.608378  1
  Cu  Cu76  1  0.026396  0.741612  0.606741  1
  Cu  Cu77  1  0.381549  0.714052  0.623255  1
  Cu  Cu78  1  0.671496  0.769163  0.590079  1
  Cu  Cu79  1  0.793148  0.502743  0.599993  1
  Cu  Cu80  1  0.148299  0.474975  0.616649  1
  Cu  Cu81  1  0.437930  0.530179  0.583179  1
  Cu  Cu82  1  0.914374  0.236301  0.610025  1
  Cu  Cu83  1  0.204144  0.291214  0.576563  1
  Cu  Cu84  1  0.559238  0.263532  0.593219  1
  Cu  Cu85  1  0.825945  0.961155  0.625221  1
  Cu  Cu86  1  0.180072  0.933198  0.642018  1
  Cu  Cu87  1  0.535793  0.905696  0.658279  1
  Cu  Cu88  1  0.092373  0.658994  0.656687  1
  Cu  Cu89  1  0.446266  0.630728  0.672740  1
  Cu  Cu90  1  0.737184  0.686345  0.640268  1
  Cu  Cu91  1  0.858947  0.420606  0.650189  1
  Cu  Cu92  1  0.212694  0.391708  0.666595  1
  Cu  Cu93  1  0.503538  0.446912  0.633176  1
  Cu  Cu94  1  0.977875  0.154190  0.660205  1
  Cu  Cu95  1  0.269303  0.207978  0.626788  1
  Cu  Cu96  1  0.624963  0.180294  0.643384  1
  Cu  Cu97  1  0.891165  0.878494  0.675266  1
  Cu  Cu98  1  0.246141  0.849478  0.692102  1
  Cu  Cu99  1  0.599883  0.822432  0.707148  1
  Cu  Cu100  1  0.157089  0.575522  0.705992  1
  Cu  Cu101  1  0.508503  0.546208  0.720805  1
  Cu  Cu102  1  0.804239  0.605472  0.690134  1
  Cu  Cu103  1  0.921405  0.338235  0.700073  1
  Cu  Cu104  1  0.280454  0.307413  0.714818  1
  Cu  Cu105  1  0.569506  0.364216  0.682671  1
  Cu  Cu106  1  0.044688  0.070782  0.708633  1
  Cu  Cu107  1  0.334487  0.123020  0.676514  1
  Cu  Cu108  1  0.685542  0.099241  0.693657  1
