# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72011547
_cell_length_b   31.50464396
_cell_length_c   47.78378052
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.05723291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr252 Cu126'
_cell_volume   16128.9032812
_cell_formula_units_Z   126
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
  Zr  Zr1  1  0.903399  0.905433  0.290086  1
  Zr  Zr2  1  0.236822  0.572358  0.290140  1
  Zr  Zr3  1  0.204303  0.902782  0.310318  1
  Zr  Zr4  1  0.570827  0.239085  0.290905  1
  Zr  Zr5  1  0.536691  0.569349  0.310515  1
  Zr  Zr6  1  0.508050  0.902183  0.332269  1
  Zr  Zr7  1  0.870693  0.237143  0.310355  1
  Zr  Zr8  1  0.842488  0.568612  0.332592  1
  Zr  Zr9  1  0.172694  0.235565  0.332333  1
  Zr  Zr10  1  0.015861  0.835931  0.329004  1
  Zr  Zr11  1  0.348166  0.502393  0.329124  1
  Zr  Zr12  1  0.409102  0.840526  0.287466  1
  Zr  Zr13  1  0.683200  0.169575  0.328944  1
  Zr  Zr14  1  0.742871  0.509043  0.287334  1
  Zr  Zr15  1  0.706824  0.840258  0.306634  1
  Zr  Zr16  1  0.073306  0.174314  0.287533  1
  Zr  Zr17  1  0.041309  0.506673  0.306440  1
  Zr  Zr18  1  0.372487  0.173607  0.306614  1
  Zr  Zr19  1  0.023912  0.736560  0.322242  1
  Zr  Zr20  1  0.360624  0.402455  0.321962  1
  Zr  Zr21  1  0.413501  0.740124  0.281376  1
  Zr  Zr22  1  0.690343  0.069748  0.322434  1
  Zr  Zr23  1  0.747551  0.411148  0.281598  1
  Zr  Zr24  1  0.716256  0.738853  0.299637  1
  Zr  Zr25  1  0.080386  0.073572  0.281350  1
  Zr  Zr26  1  0.048747  0.404461  0.299492  1
  Zr  Zr27  1  0.382567  0.072070  0.299726  1
  Zr  Zr28  1  0.918159  0.676144  0.279046  1
  Zr  Zr29  1  0.256760  0.343123  0.278790  1
  Zr  Zr30  1  0.217686  0.674316  0.296385  1
  Zr  Zr31  1  0.585045  0.009777  0.278979  1
  Zr  Zr32  1  0.559447  0.339110  0.295772  1
  Zr  Zr33  1  0.532686  0.670971  0.318535  1
  Zr  Zr34  1  0.884588  0.007798  0.296394  1
  Zr  Zr35  1  0.862992  0.335668  0.316395  1
  Zr  Zr36  1  0.199189  0.004102  0.318451  1
  Zr  Zr37  1  0.811736  0.898260  0.354806  1
  Zr  Zr38  1  0.145795  0.565023  0.354885  1
  Zr  Zr39  1  0.109773  0.895265  0.376921  1
  Zr  Zr40  1  0.477041  0.231196  0.355012  1
  Zr  Zr41  1  0.443282  0.561920  0.376968  1
  Zr  Zr42  1  0.408530  0.891251  0.399547  1
  Zr  Zr43  1  0.776882  0.228190  0.377195  1
  Zr  Zr44  1  0.741983  0.557917  0.399589  1
  Zr  Zr45  1  0.075837  0.224705  0.399718  1
  Zr  Zr46  1  0.915881  0.824492  0.394923  1
  Zr  Zr47  1  0.249654  0.490779  0.394817  1
  Zr  Zr48  1  0.317674  0.831117  0.349904  1
  Zr  Zr49  1  0.582294  0.157733  0.395020  1
  Zr  Zr50  1  0.651210  0.497890  0.350042  1
  Zr  Zr51  1  0.616588  0.828410  0.372310  1
  Zr  Zr52  1  0.984276  0.164309  0.349959  1
  Zr  Zr53  1  0.951489  0.494850  0.372401  1
  Zr  Zr54  1  0.282854  0.161726  0.372333  1
  Zr  Zr55  1  0.926044  0.726980  0.388495  1
  Zr  Zr56  1  0.259403  0.393248  0.388202  1
  Zr  Zr57  1  0.325973  0.733626  0.343635  1
  Zr  Zr58  1  0.592423  0.060315  0.388469  1
  Zr  Zr59  1  0.660581  0.400203  0.343124  1
  Zr  Zr60  1  0.627101  0.730503  0.366174  1
  Zr  Zr61  1  0.992743  0.066945  0.343662  1
  Zr  Zr62  1  0.959517  0.396585  0.365699  1
  Zr  Zr63  1  0.293759  0.063895  0.366087  1
  Zr  Zr64  1  0.834928  0.666768  0.339943  1
  Zr  Zr65  1  0.164786  0.333310  0.339396  1
  Zr  Zr66  1  0.132493  0.662142  0.360681  1
  Zr  Zr67  1  0.501267  0.999942  0.339835  1
  Zr  Zr68  1  0.465401  0.328742  0.360319  1
  Zr  Zr69  1  0.432378  0.659287  0.383762  1
  Zr  Zr70  1  0.798958  0.995370  0.360665  1
  Zr  Zr71  1  0.765845  0.326246  0.383499  1
  Zr  Zr72  1  0.098581  0.992656  0.383757  1
  Zr  Zr73  1  0.710274  0.887555  0.421811  1
  Zr  Zr74  1  0.043805  0.554204  0.421757  1
  Zr  Zr75  1  0.011185  0.884324  0.444122  1
  Zr  Zr76  1  0.376780  0.221081  0.421904  1
  Zr  Zr77  1  0.344570  0.550977  0.444083  1
  Zr  Zr78  1  0.311628  0.880824  0.466649  1
  Zr  Zr79  1  0.677497  0.217761  0.444253  1
  Zr  Zr80  1  0.645003  0.547456  0.466607  1
  Zr  Zr81  1  0.978054  0.214293  0.466649  1
  Zr  Zr82  1  0.818369  0.814417  0.462087  1
  Zr  Zr83  1  0.151721  0.480936  0.461882  1
  Zr  Zr84  1  0.216172  0.821279  0.417106  1
  Zr  Zr85  1  0.484933  0.147746  0.462115  1
  Zr  Zr86  1  0.549560  0.487735  0.417055  1
  Zr  Zr87  1  0.517377  0.817959  0.439729  1
  Zr  Zr88  1  0.882813  0.154640  0.417141  1
  Zr  Zr89  1  0.850849  0.484437  0.439594  1
  Zr  Zr90  1  0.184027  0.151310  0.439759  1
  Zr  Zr91  1  0.827967  0.715979  0.455320  1
  Zr  Zr92  1  0.161421  0.382578  0.455311  1
  Zr  Zr93  1  0.225931  0.722822  0.410417  1
  Zr  Zr94  1  0.494608  0.049290  0.455266  1
  Zr  Zr95  1  0.559489  0.389363  0.410190  1
  Zr  Zr96  1  0.527183  0.719354  0.433101  1
  Zr  Zr97  1  0.892305  0.056180  0.410371  1
  Zr  Zr98  1  0.860503  0.385873  0.432971  1
  Zr  Zr99  1  0.193739  0.052675  0.433051  1
  Zr  Zr100  1  0.732417  0.656071  0.405765  1
  Zr  Zr101  1  0.066369  0.322938  0.406051  1
  Zr  Zr102  1  0.033310  0.652876  0.428158  1
  Zr  Zr103  1  0.398969  0.989450  0.405770  1
  Zr  Zr104  1  0.366903  0.319571  0.428167  1
  Zr  Zr105  1  0.334593  0.649564  0.450889  1
  Zr  Zr106  1  0.699954  0.986162  0.428118  1
  Zr  Zr107  1  0.667801  0.316270  0.450930  1
  Zr  Zr108  1  0.001113  0.982849  0.450840  1
  Zr  Zr109  1  0.612073  0.877398  0.489023  1
  Zr  Zr110  1  0.945490  0.544037  0.488944  1
  Zr  Zr111  1  0.912456  0.873910  0.511442  1
  Zr  Zr112  1  0.278770  0.210831  0.489047  1
  Zr  Zr113  1  0.245752  0.540557  0.511353  1
  Zr  Zr114  1  0.213105  0.870481  0.533869  1
  Zr  Zr115  1  0.579033  0.207360  0.511464  1
  Zr  Zr116  1  0.546308  0.537136  0.533797  1
  Zr  Zr117  1  0.879488  0.203884  0.533933  1
  Zr  Zr118  1  0.719544  0.804090  0.529403  1
  Zr  Zr119  1  0.052889  0.470726  0.529293  1
  Zr  Zr120  1  0.118884  0.810975  0.484553  1
  Zr  Zr121  1  0.386356  0.137386  0.529370  1
  Zr  Zr122  1  0.452124  0.477541  0.484428  1
  Zr  Zr123  1  0.419191  0.807421  0.506931  1
  Zr  Zr124  1  0.785516  0.144318  0.484581  1
  Zr  Zr125  1  0.752455  0.474048  0.506817  1
  Zr  Zr126  1  0.085889  0.140779  0.506927  1
  Zr  Zr127  1  0.729486  0.705595  0.522644  1
  Zr  Zr128  1  0.062786  0.372274  0.522671  1
  Zr  Zr129  1  0.128561  0.712461  0.477831  1
  Zr  Zr130  1  0.396042  0.038826  0.522542  1
  Zr  Zr131  1  0.462034  0.379088  0.477797  1
  Zr  Zr132  1  0.429090  0.709080  0.500285  1
  Zr  Zr133  1  0.795231  0.045760  0.477745  1
  Zr  Zr134  1  0.762454  0.375770  0.500279  1
  Zr  Zr135  1  0.095672  0.042371  0.500196  1
  Zr  Zr136  1  0.635490  0.645970  0.473216  1
  Zr  Zr137  1  0.968532  0.312696  0.473294  1
  Zr  Zr138  1  0.935919  0.642511  0.495690  1
  Zr  Zr139  1  0.301986  0.979285  0.473197  1
  Zr  Zr140  1  0.269146  0.309289  0.495729  1
  Zr  Zr141  1  0.236133  0.639045  0.518118  1
  Zr  Zr142  1  0.602511  0.975820  0.495648  1
  Zr  Zr143  1  0.569470  0.305812  0.518156  1
  Zr  Zr144  1  0.902843  0.972347  0.518084  1
  Zr  Zr145  1  0.513834  0.866902  0.556234  1
  Zr  Zr146  1  0.847040  0.533533  0.556138  1
  Zr  Zr147  1  0.814742  0.863590  0.578981  1
  Zr  Zr148  1  0.180377  0.200291  0.556261  1
  Zr  Zr149  1  0.148024  0.530221  0.578892  1
  Zr  Zr150  1  0.115300  0.860181  0.601103  1
  Zr  Zr151  1  0.481671  0.196976  0.578972  1
  Zr  Zr152  1  0.448532  0.526886  0.601044  1
  Zr  Zr153  1  0.782591  0.193744  0.601375  1
  Zr  Zr154  1  0.622343  0.793730  0.596961  1
  Zr  Zr155  1  0.955402  0.460449  0.596896  1
  Zr  Zr156  1  0.020181  0.800577  0.551854  1
  Zr  Zr157  1  0.289225  0.126955  0.596733  1
  Zr  Zr158  1  0.353489  0.467230  0.551777  1
  Zr  Zr159  1  0.321156  0.797275  0.574195  1
  Zr  Zr160  1  0.686967  0.133847  0.551848  1
  Zr  Zr161  1  0.654379  0.463942  0.574126  1
  Zr  Zr162  1  0.987792  0.130469  0.574071  1
  Zr  Zr163  1  0.632107  0.695362  0.590014  1
  Zr  Zr164  1  0.965383  0.362073  0.590054  1
  Zr  Zr165  1  0.029978  0.702200  0.545179  1
  Zr  Zr166  1  0.298794  0.028486  0.589988  1
  Zr  Zr167  1  0.363204  0.368874  0.545213  1
  Zr  Zr168  1  0.330799  0.698682  0.567475  1
  Zr  Zr169  1  0.696645  0.035386  0.545001  1
  Zr  Zr170  1  0.664094  0.365377  0.567509  1
  Zr  Zr171  1  0.997583  0.031826  0.567366  1
  Zr  Zr172  1  0.536883  0.635568  0.540484  1
  Zr  Zr173  1  0.869940  0.302381  0.540506  1
  Zr  Zr174  1  0.837408  0.632073  0.562871  1
  Zr  Zr175  1  0.203547  0.968867  0.540495  1
  Zr  Zr176  1  0.170363  0.298863  0.563031  1
  Zr  Zr177  1  0.137995  0.628757  0.585247  1
  Zr  Zr178  1  0.504100  0.965395  0.562890  1
  Zr  Zr179  1  0.471170  0.295636  0.585364  1
  Zr  Zr180  1  0.804862  0.962067  0.585244  1
  Zr  Zr181  1  0.415825  0.856848  0.623649  1
  Zr  Zr182  1  0.748845  0.523557  0.623595  1
  Zr  Zr183  1  0.716301  0.854380  0.646802  1
  Zr  Zr184  1  0.082627  0.190517  0.623369  1
  Zr  Zr185  1  0.049558  0.520999  0.646766  1
  Zr  Zr186  1  0.016969  0.849801  0.667727  1
  Zr  Zr187  1  0.382523  0.187702  0.646417  1
  Zr  Zr188  1  0.350127  0.516415  0.667654  1
  Zr  Zr189  1  0.680173  0.183070  0.667165  1
  Zr  Zr190  1  0.521131  0.782878  0.663973  1
  Zr  Zr191  1  0.854415  0.449602  0.663972  1
  Zr  Zr192  1  0.922419  0.789828  0.618933  1
  Zr  Zr193  1  0.188955  0.116172  0.663444  1
  Zr  Zr194  1  0.255496  0.456548  0.618887  1
  Zr  Zr195  1  0.222083  0.786373  0.641478  1
  Zr  Zr196  1  0.589108  0.122791  0.618630  1
  Zr  Zr197  1  0.555403  0.453175  0.641392  1
  Zr  Zr198  1  0.887793  0.119160  0.641003  1
  Zr  Zr199  1  0.530467  0.685311  0.657008  1
  Zr  Zr200  1  0.863761  0.351895  0.657072  1
  Zr  Zr201  1  0.932263  0.692402  0.612174  1
  Zr  Zr202  1  0.197359  0.018787  0.657171  1
  Zr  Zr203  1  0.265288  0.359014  0.612285  1
  Zr  Zr204  1  0.230623  0.688237  0.634675  1
  Zr  Zr205  1  0.599309  0.025371  0.612103  1
  Zr  Zr206  1  0.563502  0.354944  0.634710  1
  Zr  Zr207  1  0.898798  0.021371  0.634796  1
  Zr  Zr208  1  0.439051  0.625121  0.607328  1
  Zr  Zr209  1  0.773010  0.291907  0.607539  1
  Zr  Zr210  1  0.738073  0.621614  0.629836  1
  Zr  Zr211  1  0.105828  0.958418  0.607435  1
  Zr  Zr212  1  0.071736  0.287887  0.630160  1
  Zr  Zr213  1  0.037448  0.618484  0.652032  1
  Zr  Zr214  1  0.404785  0.954909  0.629956  1
  Zr  Zr215  1  0.369262  0.284788  0.652252  1
  Zr  Zr216  1  0.704647  0.951903  0.652141  1
  Zr  Zr217  1  0.318786  0.847391  0.690745  1
  Zr  Zr218  1  0.651806  0.514013  0.690675  1
  Zr  Zr219  1  0.622357  0.843832  0.711334  1
  Zr  Zr220  1  0.982423  0.178837  0.688580  1
  Zr  Zr221  1  0.955565  0.510682  0.711332  1
  Zr  Zr222  1  0.925064  0.839874  0.728315  1
  Zr  Zr223  1  0.297323  0.175332  0.710707  1
  Zr  Zr224  1  0.258508  0.506800  0.728255  1
  Zr  Zr225  1  0.596936  0.173510  0.728049  1
  Zr  Zr226  1  0.434119  0.771781  0.725553  1
  Zr  Zr227  1  0.767424  0.438659  0.725515  1
  Zr  Zr228  1  0.821423  0.780635  0.685050  1
  Zr  Zr229  1  0.101380  0.109581  0.725766  1
  Zr  Zr230  1  0.154407  0.447311  0.685173  1
  Zr  Zr231  1  0.133122  0.778589  0.707552  1
  Zr  Zr232  1  0.491374  0.113313  0.684713  1
  Zr  Zr233  1  0.466133  0.445235  0.707618  1
  Zr  Zr234  1  0.799006  0.110957  0.707391  1
  Zr  Zr235  1  0.440943  0.673552  0.719759  1
  Zr  Zr236  1  0.772086  0.340768  0.719792  1
  Zr  Zr237  1  0.832830  0.680288  0.678010  1
  Zr  Zr238  1  0.108320  0.008809  0.719595  1
  Zr  Zr239  1  0.166782  0.347389  0.677979  1
  Zr  Zr240  1  0.141490  0.676332  0.700650  1
  Zr  Zr241  1  0.498446  0.013510  0.678173  1
  Zr  Zr242  1  0.473723  0.343127  0.700666  1
  Zr  Zr243  1  0.809233  0.009499  0.700498  1
  Zr  Zr244  1  0.341303  0.614308  0.674500  1
  Zr  Zr245  1  0.672509  0.281153  0.674560  1
  Zr  Zr246  1  0.644967  0.612703  0.696563  1
  Zr  Zr247  1  0.008983  0.947502  0.674827  1
  Zr  Zr248  1  0.978288  0.280432  0.696632  1
  Zr  Zr249  1  0.943937  0.610512  0.716172  1
  Zr  Zr250  1  0.310988  0.945945  0.696796  1
  Zr  Zr251  1  0.278231  0.277445  0.716975  1
  Zr  Zr252  1  0.610933  0.943994  0.716211  1
  Cu  Cu253  1  0.033987  0.617586  0.312716  1
  Cu  Cu254  1  0.366618  0.284442  0.312811  1
  Cu  Cu255  1  0.416840  0.630616  0.277704  1
  Cu  Cu256  1  0.700835  0.951074  0.312643  1
  Cu  Cu257  1  0.672280  0.283188  0.335531  1
  Cu  Cu258  1  0.723805  0.623381  0.293956  1
  Cu  Cu259  1  0.083184  0.963748  0.277642  1
  Cu  Cu260  1  0.064068  0.290031  0.292641  1
  Cu  Cu261  1  0.390531  0.957173  0.293388  1
  Cu  Cu262  1  0.903894  0.792908  0.287578  1
  Cu  Cu263  1  0.237737  0.458008  0.287795  1
  Cu  Cu264  1  0.210364  0.789525  0.302083  1
  Cu  Cu265  1  0.570275  0.125910  0.287860  1
  Cu  Cu266  1  0.543005  0.457904  0.302167  1
  Cu  Cu267  1  0.521825  0.785169  0.324824  1
  Cu  Cu268  1  0.876541  0.122277  0.302093  1
  Cu  Cu269  1  0.856657  0.453050  0.325006  1
  Cu  Cu270  1  0.188038  0.118693  0.324728  1
  Cu  Cu271  1  0.938596  0.609621  0.380319  1
  Cu  Cu272  1  0.270986  0.276659  0.380118  1
  Cu  Cu273  1  0.340571  0.617752  0.333946  1
  Cu  Cu274  1  0.604818  0.942845  0.380266  1
  Cu  Cu275  1  0.571147  0.274144  0.402946  1
  Cu  Cu276  1  0.639935  0.613558  0.356807  1
  Cu  Cu277  1  0.007087  0.950877  0.333877  1
  Cu  Cu278  1  0.971837  0.280878  0.357165  1
  Cu  Cu279  1  0.306105  0.947013  0.356905  1
  Cu  Cu280  1  0.823052  0.782989  0.345203  1
  Cu  Cu281  1  0.156984  0.448624  0.344859  1
  Cu  Cu282  1  0.122337  0.779360  0.368632  1
  Cu  Cu283  1  0.489865  0.116663  0.345159  1
  Cu  Cu284  1  0.456101  0.445664  0.368443  1
  Cu  Cu285  1  0.421472  0.775713  0.391862  1
  Cu  Cu286  1  0.788780  0.112843  0.368634  1
  Cu  Cu287  1  0.755276  0.442028  0.391618  1
  Cu  Cu288  1  0.088114  0.108989  0.391918  1
  Cu  Cu289  1  0.839594  0.600241  0.447518  1
  Cu  Cu290  1  0.172899  0.267037  0.447667  1
  Cu  Cu291  1  0.237548  0.607351  0.403263  1
  Cu  Cu292  1  0.506135  0.933552  0.447504  1
  Cu  Cu293  1  0.473198  0.263688  0.469923  1
  Cu  Cu294  1  0.538292  0.603642  0.425425  1
  Cu  Cu295  1  0.903975  0.940512  0.403192  1
  Cu  Cu296  1  0.871390  0.270541  0.425305  1
  Cu  Cu297  1  0.204919  0.936937  0.425366  1
  Cu  Cu298  1  0.720543  0.772396  0.414305  1
  Cu  Cu299  1  0.054105  0.438539  0.414117  1
  Cu  Cu300  1  0.022707  0.768698  0.436605  1
  Cu  Cu301  1  0.387028  0.105698  0.414312  1
  Cu  Cu302  1  0.356204  0.434999  0.436451  1
  Cu  Cu303  1  0.322818  0.765217  0.458684  1
  Cu  Cu304  1  0.689281  0.102044  0.436613  1
  Cu  Cu305  1  0.656238  0.431689  0.458572  1
  Cu  Cu306  1  0.989421  0.098574  0.458650  1
  Cu  Cu307  1  0.741204  0.589841  0.514705  1
  Cu  Cu308  1  0.074456  0.256599  0.514823  1
  Cu  Cu309  1  0.139974  0.596857  0.469798  1
  Cu  Cu310  1  0.407855  0.923201  0.514744  1
  Cu  Cu311  1  0.374972  0.253026  0.537327  1
  Cu  Cu312  1  0.440464  0.593264  0.492299  1
  Cu  Cu313  1  0.806594  0.930151  0.469827  1
  Cu  Cu314  1  0.773725  0.259990  0.492405  1
  Cu  Cu315  1  0.107118  0.926569  0.492320  1
  Cu  Cu316  1  0.623634  0.761787  0.481188  1
  Cu  Cu317  1  0.956979  0.428343  0.481094  1
  Cu  Cu318  1  0.924124  0.758316  0.503614  1
  Cu  Cu319  1  0.290229  0.095083  0.481147  1
  Cu  Cu320  1  0.257456  0.424900  0.503545  1
  Cu  Cu321  1  0.224667  0.754831  0.526054  1
  Cu  Cu322  1  0.590783  0.091563  0.503557  1
  Cu  Cu323  1  0.557936  0.421466  0.526002  1
  Cu  Cu324  1  0.891338  0.088054  0.525973  1
  Cu  Cu325  1  0.643544  0.579224  0.581755  1
  Cu  Cu326  1  0.976674  0.246196  0.581711  1
  Cu  Cu327  1  0.041727  0.586148  0.537200  1
  Cu  Cu328  1  0.310246  0.912599  0.581850  1
  Cu  Cu329  1  0.277447  0.242513  0.603866  1
  Cu  Cu330  1  0.341956  0.582781  0.559424  1
  Cu  Cu331  1  0.708401  0.919517  0.537225  1
  Cu  Cu332  1  0.675376  0.249619  0.559611  1
  Cu  Cu333  1  0.008728  0.916135  0.559483  1
  Cu  Cu334  1  0.525411  0.751428  0.548569  1
  Cu  Cu335  1  0.858673  0.418125  0.548525  1
  Cu  Cu336  1  0.825494  0.748116  0.570644  1
  Cu  Cu337  1  0.192149  0.084570  0.548470  1
  Cu  Cu338  1  0.158720  0.414807  0.570645  1
  Cu  Cu339  1  0.127657  0.744587  0.592970  1
  Cu  Cu340  1  0.492308  0.081080  0.570502  1
  Cu  Cu341  1  0.460807  0.411255  0.592980  1
  Cu  Cu342  1  0.794538  0.077397  0.592798  1
  Cu  Cu343  1  0.542841  0.569051  0.649972  1
  Cu  Cu344  1  0.875105  0.236280  0.650324  1
  Cu  Cu345  1  0.943659  0.575519  0.604097  1
  Cu  Cu346  1  0.209870  0.902234  0.649992  1
  Cu  Cu347  1  0.174488  0.232062  0.673185  1
  Cu  Cu348  1  0.243735  0.573046  0.626904  1
  Cu  Cu349  1  0.610505  0.909012  0.604205  1
  Cu  Cu350  1  0.576437  0.240230  0.626801  1
  Cu  Cu351  1  0.910692  0.906479  0.627029  1
  Cu  Cu352  1  0.426390  0.741123  0.615438  1
  Cu  Cu353  1  0.759678  0.407769  0.615482  1
  Cu  Cu354  1  0.725786  0.737270  0.638671  1
  Cu  Cu355  1  0.093495  0.074118  0.615203  1
  Cu  Cu356  1  0.058856  0.404144  0.638662  1
  Cu  Cu357  1  0.024569  0.734074  0.662272  1
  Cu  Cu358  1  0.392822  0.070275  0.638490  1
  Cu  Cu359  1  0.357940  0.401155  0.662230  1
  Cu  Cu360  1  0.691743  0.066437  0.661946  1
  Cu  Cu361  1  0.450847  0.560162  0.714240  1
  Cu  Cu362  1  0.791223  0.226343  0.713187  1
  Cu  Cu363  1  0.842636  0.566439  0.671510  1
  Cu  Cu364  1  0.117724  0.892997  0.714492  1
  Cu  Cu365  1  0.098338  0.219137  0.729407  1
  Cu  Cu366  1  0.148381  0.565413  0.694276  1
  Cu  Cu367  1  0.509418  0.899885  0.671620  1
  Cu  Cu368  1  0.480986  0.232118  0.694415  1
  Cu  Cu369  1  0.815073  0.898577  0.694328  1
  Cu  Cu370  1  0.325558  0.729885  0.682197  1
  Cu  Cu371  1  0.658382  0.396767  0.682101  1
  Cu  Cu372  1  0.639109  0.725552  0.704937  1
  Cu  Cu373  1  0.993675  0.064454  0.682392  1
  Cu  Cu374  1  0.971947  0.391880  0.704941  1
  Cu  Cu375  1  0.944336  0.724977  0.719081  1
  Cu  Cu376  1  0.305109  0.060792  0.705024  1
  Cu  Cu377  1  0.277184  0.391643  0.719328  1
  Cu  Cu378  1  0.611393  0.057039  0.719274  1
