# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11262263
_cell_length_b   12.96512342
_cell_length_c   47.37237257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.18848590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5544.9335726
_cell_formula_units_Z   216
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  0.126078  0.770434  0.270871  1
  Cu  Cu2  1  0.459412  0.437101  0.270871  1
  Cu  Cu3  1  0.392857  0.768723  0.282396  1
  Cu  Cu4  1  0.792745  0.103767  0.270871  1
  Cu  Cu5  1  0.726190  0.435390  0.282396  1
  Cu  Cu6  1  0.664171  0.760630  0.294114  1
  Cu  Cu7  1  0.059523  0.102056  0.282396  1
  Cu  Cu8  1  0.997504  0.427296  0.294114  1
  Cu  Cu9  1  0.330838  0.093963  0.294114  1
  Cu  Cu10  1  0.126519  0.594240  0.291746  1
  Cu  Cu11  1  0.459852  0.260907  0.291746  1
  Cu  Cu12  1  0.395085  0.589755  0.303400  1
  Cu  Cu13  1  0.793185  0.927574  0.291746  1
  Cu  Cu14  1  0.728418  0.256421  0.303400  1
  Cu  Cu15  1  0.854005  0.601308  0.280079  1
  Cu  Cu16  1  0.061751  0.923088  0.303400  1
  Cu  Cu17  1  0.187339  0.267975  0.280079  1
  Cu  Cu18  1  0.520672  0.934641  0.280079  1
  Cu  Cu19  1  0.935268  0.753004  0.307080  1
  Cu  Cu20  1  0.268601  0.419671  0.307080  1
  Cu  Cu21  1  0.205895  0.746485  0.320509  1
  Cu  Cu22  1  0.601935  0.086338  0.307080  1
  Cu  Cu23  1  0.539228  0.413152  0.320509  1
  Cu  Cu24  1  0.476451  0.741193  0.332718  1
  Cu  Cu25  1  0.872561  0.079818  0.320509  1
  Cu  Cu26  1  0.809785  0.407860  0.332718  1
  Cu  Cu27  1  0.143118  0.074526  0.332718  1
  Cu  Cu28  1  0.933922  0.574240  0.329855  1
  Cu  Cu29  1  0.267256  0.240907  0.329855  1
  Cu  Cu30  1  0.204961  0.567429  0.342756  1
  Cu  Cu31  1  0.600589  0.907573  0.329855  1
  Cu  Cu32  1  0.538294  0.234095  0.342756  1
  Cu  Cu33  1  0.661687  0.582428  0.316355  1
  Cu  Cu34  1  0.871627  0.900762  0.342756  1
  Cu  Cu35  1  0.995020  0.249094  0.316355  1
  Cu  Cu36  1  0.328354  0.915761  0.316355  1
  Cu  Cu37  1  0.747351  0.732973  0.345076  1
  Cu  Cu38  1  0.080684  0.399640  0.345076  1
  Cu  Cu39  1  0.017582  0.726085  0.358423  1
  Cu  Cu40  1  0.414018  0.066306  0.345076  1
  Cu  Cu41  1  0.350915  0.392752  0.358423  1
  Cu  Cu42  1  0.288286  0.719859  0.371328  1
  Cu  Cu43  1  0.684249  0.059419  0.358423  1
  Cu  Cu44  1  0.621619  0.386525  0.371328  1
  Cu  Cu45  1  0.954953  0.053192  0.371328  1
  Cu  Cu46  1  0.743848  0.554924  0.368375  1
  Cu  Cu47  1  0.077182  0.221591  0.368375  1
  Cu  Cu48  1  0.014846  0.547541  0.381330  1
  Cu  Cu49  1  0.410515  0.888257  0.368375  1
  Cu  Cu50  1  0.348179  0.214208  0.381330  1
  Cu  Cu51  1  0.474002  0.561858  0.355480  1
  Cu  Cu52  1  0.681512  0.880875  0.381330  1
  Cu  Cu53  1  0.807336  0.228524  0.355480  1
  Cu  Cu54  1  0.140669  0.895191  0.355480  1
  Cu  Cu55  1  0.558799  0.713346  0.383892  1
  Cu  Cu56  1  0.892132  0.380013  0.383892  1
  Cu  Cu57  1  0.829005  0.706371  0.396693  1
  Cu  Cu58  1  0.225465  0.046679  0.383892  1
  Cu  Cu59  1  0.162339  0.373038  0.396693  1
  Cu  Cu60  1  0.099527  0.699571  0.409668  1
  Cu  Cu61  1  0.495672  0.039704  0.396693  1
  Cu  Cu62  1  0.432860  0.366238  0.409668  1
  Cu  Cu63  1  0.766194  0.032904  0.409668  1
  Cu  Cu64  1  0.555509  0.534475  0.407064  1
  Cu  Cu65  1  0.888843  0.201142  0.407064  1
  Cu  Cu66  1  0.825946  0.527651  0.419885  1
  Cu  Cu67  1  0.222176  0.867808  0.407064  1
  Cu  Cu68  1  0.159280  0.194318  0.419885  1
  Cu  Cu69  1  0.285295  0.540980  0.394266  1
  Cu  Cu70  1  0.492613  0.860984  0.419885  1
  Cu  Cu71  1  0.618629  0.207646  0.394266  1
  Cu  Cu72  1  0.951962  0.874313  0.394266  1
  Cu  Cu73  1  0.370166  0.692983  0.422482  1
  Cu  Cu74  1  0.703499  0.359650  0.422482  1
  Cu  Cu75  1  0.640567  0.686277  0.435246  1
  Cu  Cu76  1  0.036832  0.026316  0.422482  1
  Cu  Cu77  1  0.973900  0.352944  0.435246  1
  Cu  Cu78  1  0.910951  0.679504  0.448089  1
  Cu  Cu79  1  0.307234  0.019611  0.435246  1
  Cu  Cu80  1  0.244284  0.346171  0.448089  1
  Cu  Cu81  1  0.577618  0.012838  0.448089  1
  Cu  Cu82  1  0.366970  0.514132  0.445660  1
  Cu  Cu83  1  0.700304  0.180799  0.445660  1
  Cu  Cu84  1  0.637435  0.507442  0.458477  1
  Cu  Cu85  1  0.033637  0.847466  0.445660  1
  Cu  Cu86  1  0.970769  0.174109  0.458477  1
  Cu  Cu87  1  0.096457  0.520808  0.432783  1
  Cu  Cu88  1  0.304102  0.840775  0.458477  1
  Cu  Cu89  1  0.429790  0.187475  0.432783  1
  Cu  Cu90  1  0.763124  0.854142  0.432783  1
  Cu  Cu91  1  0.181509  0.672772  0.460958  1
  Cu  Cu92  1  0.514842  0.339439  0.460958  1
  Cu  Cu93  1  0.452041  0.666072  0.473794  1
  Cu  Cu94  1  0.848176  0.006106  0.460958  1
  Cu  Cu95  1  0.785375  0.332739  0.473794  1
  Cu  Cu96  1  0.722477  0.659346  0.486616  1
  Cu  Cu97  1  0.118708  0.999405  0.473794  1
  Cu  Cu98  1  0.055810  0.326013  0.486616  1
  Cu  Cu99  1  0.389144  0.992680  0.486616  1
  Cu  Cu100  1  0.178380  0.493949  0.484170  1
  Cu  Cu101  1  0.511714  0.160616  0.484170  1
  Cu  Cu102  1  0.448918  0.487233  0.497023  1
  Cu  Cu103  1  0.845047  0.827283  0.484170  1
  Cu  Cu104  1  0.782252  0.153900  0.497023  1
  Cu  Cu105  1  0.907878  0.500688  0.471309  1
  Cu  Cu106  1  0.115585  0.820567  0.497023  1
  Cu  Cu107  1  0.241211  0.167354  0.471309  1
  Cu  Cu108  1  0.574544  0.834021  0.471309  1
  Cu  Cu109  1  0.992944  0.652617  0.499449  1
  Cu  Cu110  1  0.326277  0.319284  0.499449  1
  Cu  Cu111  1  0.263482  0.645901  0.512303  1
  Cu  Cu112  1  0.659611  0.985950  0.499449  1
  Cu  Cu113  1  0.596815  0.312568  0.512303  1
  Cu  Cu114  1  0.533985  0.639163  0.525163  1
  Cu  Cu115  1  0.930149  0.979234  0.512303  1
  Cu  Cu116  1  0.867318  0.305829  0.525163  1
  Cu  Cu117  1  0.200651  0.972496  0.525163  1
  Cu  Cu118  1  0.989821  0.473779  0.522679  1
  Cu  Cu119  1  0.323154  0.140445  0.522679  1
  Cu  Cu120  1  0.260353  0.467078  0.535514  1
  Cu  Cu121  1  0.656488  0.807112  0.522679  1
  Cu  Cu122  1  0.593687  0.133745  0.535514  1
  Cu  Cu123  1  0.719385  0.480504  0.509857  1
  Cu  Cu124  1  0.927020  0.800411  0.535514  1
  Cu  Cu125  1  0.052719  0.147171  0.509857  1
  Cu  Cu126  1  0.386052  0.813838  0.509857  1
  Cu  Cu127  1  0.804427  0.632408  0.537995  1
  Cu  Cu128  1  0.137760  0.299075  0.537995  1
  Cu  Cu129  1  0.074892  0.625718  0.550813  1
  Cu  Cu130  1  0.471094  0.965742  0.537995  1
  Cu  Cu131  1  0.408225  0.292385  0.550813  1
  Cu  Cu132  1  0.345405  0.619042  0.563689  1
  Cu  Cu133  1  0.741559  0.959051  0.550813  1
  Cu  Cu134  1  0.678739  0.285709  0.563689  1
  Cu  Cu135  1  0.012072  0.952375  0.563689  1
  Cu  Cu136  1  0.801295  0.453573  0.561226  1
  Cu  Cu137  1  0.134629  0.120240  0.561226  1
  Cu  Cu138  1  0.071697  0.446868  0.573990  1
  Cu  Cu139  1  0.467962  0.786906  0.561226  1
  Cu  Cu140  1  0.405030  0.113534  0.573990  1
  Cu  Cu141  1  0.530911  0.460346  0.548383  1
  Cu  Cu142  1  0.738363  0.780201  0.573990  1
  Cu  Cu143  1  0.864245  0.127013  0.548383  1
  Cu  Cu144  1  0.197578  0.793680  0.548383  1
  Cu  Cu145  1  0.615916  0.612199  0.576587  1
  Cu  Cu146  1  0.949249  0.278866  0.576587  1
  Cu  Cu147  1  0.886353  0.605375  0.589408  1
  Cu  Cu148  1  0.282583  0.945533  0.576587  1
  Cu  Cu149  1  0.219686  0.272042  0.589408  1
  Cu  Cu150  1  0.156567  0.598871  0.602206  1
  Cu  Cu151  1  0.553020  0.938709  0.589408  1
  Cu  Cu152  1  0.489900  0.265537  0.602206  1
  Cu  Cu153  1  0.823234  0.932204  0.602206  1
  Cu  Cu154  1  0.612857  0.433479  0.599779  1
  Cu  Cu155  1  0.946190  0.100146  0.599779  1
  Cu  Cu156  1  0.883064  0.426505  0.612580  1
  Cu  Cu157  1  0.279524  0.766813  0.599779  1
  Cu  Cu158  1  0.216397  0.093171  0.612580  1
  Cu  Cu159  1  0.342335  0.440280  0.586804  1
  Cu  Cu160  1  0.549730  0.759838  0.612580  1
  Cu  Cu161  1  0.675669  0.106946  0.586804  1
  Cu  Cu162  1  0.009002  0.773613  0.586804  1
  Cu  Cu163  1  0.427017  0.592309  0.615142  1
  Cu  Cu164  1  0.760350  0.258976  0.615142  1
  Cu  Cu165  1  0.698014  0.584926  0.628097  1
  Cu  Cu166  1  0.093683  0.925642  0.615142  1
  Cu  Cu167  1  0.031347  0.251593  0.628097  1
  Cu  Cu168  1  0.967860  0.577993  0.640992  1
  Cu  Cu169  1  0.364681  0.918260  0.628097  1
  Cu  Cu170  1  0.301193  0.244659  0.640992  1
  Cu  Cu171  1  0.634527  0.911326  0.640992  1
  Cu  Cu172  1  0.424280  0.413765  0.638049  1
  Cu  Cu173  1  0.757614  0.080432  0.638049  1
  Cu  Cu174  1  0.694511  0.406878  0.651396  1
  Cu  Cu175  1  0.090947  0.747099  0.638049  1
  Cu  Cu176  1  0.027845  0.073544  0.651396  1
  Cu  Cu177  1  0.153576  0.419992  0.625145  1
  Cu  Cu178  1  0.361178  0.740211  0.651396  1
  Cu  Cu179  1  0.486910  0.086658  0.625145  1
  Cu  Cu180  1  0.820243  0.753325  0.625145  1
  Cu  Cu181  1  0.236902  0.572422  0.653716  1
  Cu  Cu182  1  0.570235  0.239088  0.653716  1
  Cu  Cu183  1  0.507940  0.565610  0.666618  1
  Cu  Cu184  1  0.903568  0.905755  0.653716  1
  Cu  Cu185  1  0.841273  0.232277  0.666618  1
  Cu  Cu186  1  0.780175  0.557423  0.680117  1
  Cu  Cu187  1  0.174607  0.898944  0.666618  1
  Cu  Cu188  1  0.113509  0.224089  0.680117  1
  Cu  Cu189  1  0.446842  0.890756  0.680117  1
  Cu  Cu190  1  0.235968  0.393365  0.675963  1
  Cu  Cu191  1  0.569301  0.060032  0.675963  1
  Cu  Cu192  1  0.506594  0.386846  0.689393  1
  Cu  Cu193  1  0.902634  0.726699  0.675963  1
  Cu  Cu194  1  0.839928  0.053513  0.689393  1
  Cu  Cu195  1  0.965411  0.398657  0.663754  1
  Cu  Cu196  1  0.173261  0.720180  0.689393  1
  Cu  Cu197  1  0.298744  0.065324  0.663754  1
  Cu  Cu198  1  0.632078  0.731991  0.663754  1
  Cu  Cu199  1  0.046778  0.550096  0.693072  1
  Cu  Cu200  1  0.380111  0.216762  0.693072  1
  Cu  Cu201  1  0.315344  0.545610  0.704726  1
  Cu  Cu202  1  0.713444  0.883429  0.693072  1
  Cu  Cu203  1  0.648677  0.212277  0.704726  1
  Cu  Cu204  1  0.587857  0.538542  0.716393  1
  Cu  Cu205  1  0.982010  0.878943  0.704726  1
  Cu  Cu206  1  0.921190  0.205209  0.716393  1
  Cu  Cu207  1  0.254524  0.871876  0.716393  1
  Cu  Cu208  1  0.049006  0.371128  0.714076  1
  Cu  Cu209  1  0.382339  0.037794  0.714076  1
  Cu  Cu210  1  0.315784  0.369416  0.725602  1
  Cu  Cu211  1  0.715672  0.704461  0.714076  1
  Cu  Cu212  1  0.649117  0.036083  0.725602  1
  Cu  Cu213  1  0.777691  0.379221  0.702358  1
  Cu  Cu214  1  0.982451  0.702750  0.725602  1
  Cu  Cu215  1  0.111025  0.045887  0.702358  1
  Cu  Cu216  1  0.444358  0.712554  0.702358  1
