# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15968625
_cell_length_b   32.55861229
_cell_length_c   49.10091185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.23222679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr252 Cu126'
_cell_volume   16234.1291635
_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  0.975505  0.744639  0.327034  1
  Zr  Zr2  1  0.308838  0.411306  0.327034  1
  Zr  Zr3  1  0.371080  0.752826  0.288016  1
  Zr  Zr4  1  0.642171  0.077972  0.327034  1
  Zr  Zr5  1  0.704413  0.419493  0.288016  1
  Zr  Zr6  1  0.677327  0.748376  0.304023  1
  Zr  Zr7  1  0.037746  0.086160  0.288016  1
  Zr  Zr8  1  0.010660  0.415042  0.304023  1
  Zr  Zr9  1  0.343993  0.081709  0.304023  1
  Zr  Zr10  1  0.878538  0.678099  0.285244  1
  Zr  Zr11  1  0.211872  0.344766  0.285244  1
  Zr  Zr12  1  0.180716  0.682379  0.301578  1
  Zr  Zr13  1  0.545205  0.011433  0.285244  1
  Zr  Zr14  1  0.514050  0.349046  0.301578  1
  Zr  Zr15  1  0.484251  0.680558  0.323535  1
  Zr  Zr16  1  0.847383  0.015713  0.301578  1
  Zr  Zr17  1  0.817584  0.347225  0.323535  1
  Zr  Zr18  1  0.150917  0.013892  0.323535  1
  Zr  Zr19  1  0.855232  0.918093  0.295843  1
  Zr  Zr20  1  0.188565  0.584759  0.295843  1
  Zr  Zr21  1  0.153993  0.911757  0.315477  1
  Zr  Zr22  1  0.521899  0.251426  0.295843  1
  Zr  Zr23  1  0.487326  0.578423  0.315477  1
  Zr  Zr24  1  0.460901  0.912264  0.335112  1
  Zr  Zr25  1  0.820659  0.245090  0.315477  1
  Zr  Zr26  1  0.794234  0.578930  0.335112  1
  Zr  Zr27  1  0.127568  0.245597  0.335112  1
  Zr  Zr28  1  0.965849  0.844036  0.334093  1
  Zr  Zr29  1  0.299182  0.510703  0.334093  1
  Zr  Zr30  1  0.362877  0.846760  0.293653  1
  Zr  Zr31  1  0.632515  0.177369  0.334093  1
  Zr  Zr32  1  0.696211  0.513427  0.293653  1
  Zr  Zr33  1  0.665453  0.847291  0.310459  1
  Zr  Zr34  1  0.029544  0.180093  0.293653  1
  Zr  Zr35  1  0.998787  0.513957  0.310459  1
  Zr  Zr36  1  0.332120  0.180624  0.310459  1
  Zr  Zr37  1  0.874508  0.738490  0.389588  1
  Zr  Zr38  1  0.207842  0.405157  0.389588  1
  Zr  Zr39  1  0.277114  0.745336  0.347741  1
  Zr  Zr40  1  0.541175  0.071824  0.389588  1
  Zr  Zr41  1  0.610447  0.412003  0.347741  1
  Zr  Zr42  1  0.579089  0.740647  0.368924  1
  Zr  Zr43  1  0.943780  0.078670  0.347741  1
  Zr  Zr44  1  0.912422  0.407313  0.368924  1
  Zr  Zr45  1  0.245756  0.073980  0.368924  1
  Zr  Zr46  1  0.782912  0.675120  0.344221  1
  Zr  Zr47  1  0.116245  0.341787  0.344221  1
  Zr  Zr48  1  0.087154  0.672450  0.364383  1
  Zr  Zr49  1  0.449579  0.008454  0.344221  1
  Zr  Zr50  1  0.420488  0.339117  0.364383  1
  Zr  Zr51  1  0.383763  0.668802  0.385133  1
  Zr  Zr52  1  0.753821  1.005783  0.364383  1
  Zr  Zr53  1  0.717096  0.335469  0.385133  1
  Zr  Zr54  1  0.050430  1.002136  0.385133  1
  Zr  Zr55  1  0.765594  0.908398  0.358887  1
  Zr  Zr56  1  0.098928  0.575065  0.358887  1
  Zr  Zr57  1  0.059848  0.906099  0.379118  1
  Zr  Zr58  1  0.432261  0.241731  0.358887  1
  Zr  Zr59  1  0.393181  0.572765  0.379118  1
  Zr  Zr60  1  0.359749  0.903411  0.399200  1
  Zr  Zr61  1  0.726514  0.239432  0.379118  1
  Zr  Zr62  1  0.693083  0.570078  0.399200  1
  Zr  Zr63  1  0.026416  0.236744  0.399200  1
  Zr  Zr64  1  0.864715  0.833546  0.395701  1
  Zr  Zr65  1  0.198049  0.500213  0.395701  1
  Zr  Zr66  1  0.269179  0.839637  0.353295  1
  Zr  Zr67  1  0.531382  0.166880  0.395701  1
  Zr  Zr68  1  0.602512  0.506303  0.353295  1
  Zr  Zr69  1  0.568715  0.838678  0.374298  1
  Zr  Zr70  1  0.935846  0.172970  0.353295  1
  Zr  Zr71  1  0.902048  0.505344  0.374298  1
  Zr  Zr72  1  0.235381  0.172011  0.374298  1
  Zr  Zr73  1  0.777226  0.728559  0.451973  1
  Zr  Zr74  1  0.110559  0.395226  0.451973  1
  Zr  Zr75  1  0.177897  0.734463  0.410210  1
  Zr  Zr76  1  0.443892  0.061893  0.451973  1
  Zr  Zr77  1  0.511230  0.401129  0.410210  1
  Zr  Zr78  1  0.475662  0.730906  0.431413  1
  Zr  Zr79  1  0.844563  0.067796  0.410210  1
  Zr  Zr80  1  0.808996  0.397572  0.431413  1
  Zr  Zr81  1  0.142329  0.064239  0.431413  1
  Zr  Zr82  1  0.682833  0.665627  0.405598  1
  Zr  Zr83  1  0.016166  0.332293  0.405598  1
  Zr  Zr84  1  0.981353  0.663771  0.426588  1
  Zr  Zr85  1  0.349499  0.998960  0.405598  1
  Zr  Zr86  1  0.314687  0.330438  0.426588  1
  Zr  Zr87  1  0.283116  0.661020  0.448283  1
  Zr  Zr88  1  0.648020  0.997105  0.426588  1
  Zr  Zr89  1  0.616450  0.327687  0.448283  1
  Zr  Zr90  1  0.949783  0.994353  0.448283  1
  Zr  Zr91  1  0.659397  0.899545  0.420859  1
  Zr  Zr92  1  0.992730  0.566212  0.420859  1
  Zr  Zr93  1  0.960067  0.896024  0.441864  1
  Zr  Zr94  1  0.326063  0.232878  0.420859  1
  Zr  Zr95  1  0.293400  0.562690  0.441864  1
  Zr  Zr96  1  0.259926  0.893695  0.462804  1
  Zr  Zr97  1  0.626734  0.229357  0.441864  1
  Zr  Zr98  1  0.593259  0.560362  0.462804  1
  Zr  Zr99  1  0.926592  0.227029  0.462804  1
  Zr  Zr100  1  0.767396  0.825614  0.458433  1
  Zr  Zr101  1  0.100729  0.492281  0.458433  1
  Zr  Zr102  1  0.167735  0.831981  0.416149  1
  Zr  Zr103  1  0.434062  0.158948  0.458433  1
  Zr  Zr104  1  0.501068  0.498648  0.416149  1
  Zr  Zr105  1  0.465132  0.829611  0.437568  1
  Zr  Zr106  1  0.834402  0.165315  0.416149  1
  Zr  Zr107  1  0.798466  0.496278  0.437568  1
  Zr  Zr108  1  0.131799  0.162945  0.437568  1
  Zr  Zr109  1  0.674777  0.719692  0.514558  1
  Zr  Zr110  1  0.008111  0.386358  0.514558  1
  Zr  Zr111  1  0.076549  0.725757  0.473391  1
  Zr  Zr112  1  0.341444  0.053025  0.514558  1
  Zr  Zr113  1  0.409883  0.392424  0.473391  1
  Zr  Zr114  1  0.375555  0.723182  0.494177  1
  Zr  Zr115  1  0.743216  0.059090  0.473391  1
  Zr  Zr116  1  0.708888  0.389849  0.494177  1
  Zr  Zr117  1  0.042221  0.056516  0.494177  1
  Zr  Zr118  1  0.583518  0.657639  0.468931  1
  Zr  Zr119  1  0.916851  0.324305  0.468931  1
  Zr  Zr120  1  0.883588  0.654470  0.489647  1
  Zr  Zr121  1  0.250184  0.990972  0.468931  1
  Zr  Zr122  1  0.216922  0.321137  0.489647  1
  Zr  Zr123  1  0.182394  0.651527  0.510441  1
  Zr  Zr124  1  0.550255  0.987804  0.489647  1
  Zr  Zr125  1  0.515727  0.318193  0.510441  1
  Zr  Zr126  1  0.849060  0.984860  0.510441  1
  Zr  Zr127  1  0.559904  0.891074  0.483642  1
  Zr  Zr128  1  0.893237  0.557741  0.483642  1
  Zr  Zr129  1  0.858645  0.888044  0.504293  1
  Zr  Zr130  1  0.226570  0.224408  0.483642  1
  Zr  Zr131  1  0.191978  0.554711  0.504293  1
  Zr  Zr132  1  0.158493  0.885021  0.525410  1
  Zr  Zr133  1  0.525312  0.221378  0.504293  1
  Zr  Zr134  1  0.491827  0.551688  0.525410  1
  Zr  Zr135  1  0.825160  0.218354  0.525410  1
  Zr  Zr136  1  0.665183  0.816959  0.520855  1
  Zr  Zr137  1  0.998516  0.483625  0.520855  1
  Zr  Zr138  1  0.067281  0.822594  0.479618  1
  Zr  Zr139  1  0.331849  0.150292  0.520855  1
  Zr  Zr140  1  0.400614  0.489261  0.479618  1
  Zr  Zr141  1  0.366072  0.819394  0.500136  1
  Zr  Zr142  1  0.733947  0.155927  0.479618  1
  Zr  Zr143  1  0.699405  0.486061  0.500136  1
  Zr  Zr144  1  0.032739  0.152728  0.500136  1
  Zr  Zr145  1  0.574172  0.710719  0.577807  1
  Zr  Zr146  1  0.907505  0.377385  0.577807  1
  Zr  Zr147  1  0.974621  0.716646  0.535813  1
  Zr  Zr148  1  0.240838  0.044052  0.577807  1
  Zr  Zr149  1  0.307955  0.383313  0.535813  1
  Zr  Zr150  1  0.277322  0.713045  0.556688  1
  Zr  Zr151  1  0.641288  0.049980  0.535813  1
  Zr  Zr152  1  0.610655  0.379711  0.556688  1
  Zr  Zr153  1  0.943988  0.046378  0.556688  1
  Zr  Zr154  1  0.482077  0.648478  0.531529  1
  Zr  Zr155  1  0.815410  0.315145  0.531529  1
  Zr  Zr156  1  0.782838  0.646193  0.552441  1
  Zr  Zr157  1  0.148744  0.981812  0.531529  1
  Zr  Zr158  1  0.116171  0.312860  0.552441  1
  Zr  Zr159  1  0.080689  0.642793  0.573423  1
  Zr  Zr160  1  0.449505  0.979526  0.552441  1
  Zr  Zr161  1  0.414022  0.309459  0.573423  1
  Zr  Zr162  1  0.747355  0.976126  0.573423  1
  Zr  Zr163  1  0.459724  0.881580  0.546100  1
  Zr  Zr164  1  0.793057  0.548247  0.546100  1
  Zr  Zr165  1  0.758001  0.878817  0.567581  1
  Zr  Zr166  1  0.126391  0.214914  0.546100  1
  Zr  Zr167  1  0.091334  0.545483  0.567581  1
  Zr  Zr168  1  0.059574  0.876853  0.588386  1
  Zr  Zr169  1  0.424667  0.212150  0.567581  1
  Zr  Zr170  1  0.392907  0.543519  0.588386  1
  Zr  Zr171  1  0.726241  0.210186  0.588386  1
  Zr  Zr172  1  0.564990  0.808007  0.584295  1
  Zr  Zr173  1  0.898323  0.474674  0.584295  1
  Zr  Zr174  1  0.964407  0.814249  0.542080  1
  Zr  Zr175  1  0.231657  0.141340  0.584295  1
  Zr  Zr176  1  0.297741  0.480915  0.542080  1
  Zr  Zr177  1  0.266711  0.811526  0.562934  1
  Zr  Zr178  1  0.631074  0.147582  0.542080  1
  Zr  Zr179  1  0.600044  0.478192  0.562934  1
  Zr  Zr180  1  0.933378  0.144859  0.562934  1
  Zr  Zr181  1  0.474791  0.702999  0.640827  1
  Zr  Zr182  1  0.808124  0.369666  0.640827  1
  Zr  Zr183  1  0.876427  0.708952  0.598588  1
  Zr  Zr184  1  0.141458  0.036332  0.640827  1
  Zr  Zr185  1  0.209760  0.375619  0.598588  1
  Zr  Zr186  1  0.172817  0.704339  0.619247  1
  Zr  Zr187  1  0.543093  0.042285  0.598588  1
  Zr  Zr188  1  0.506150  0.371006  0.619247  1
  Zr  Zr189  1  0.839484  0.037672  0.619247  1
  Zr  Zr190  1  0.383640  0.638884  0.594495  1
  Zr  Zr191  1  0.716973  0.305551  0.594495  1
  Zr  Zr192  1  0.679976  0.637310  0.615089  1
  Zr  Zr193  1  0.050307  0.972218  0.594495  1
  Zr  Zr194  1  0.013309  0.303977  0.615089  1
  Zr  Zr195  1  0.978914  0.633542  0.635589  1
  Zr  Zr196  1  0.346642  0.970643  0.615089  1
  Zr  Zr197  1  0.312248  0.300209  0.635589  1
  Zr  Zr198  1  0.645581  0.966875  0.635589  1
  Zr  Zr199  1  0.356348  0.872607  0.609362  1
  Zr  Zr200  1  0.689681  0.539274  0.609362  1
  Zr  Zr201  1  0.657772  0.870684  0.630534  1
  Zr  Zr202  1  0.023014  0.205941  0.609362  1
  Zr  Zr203  1  0.991105  0.537350  0.630534  1
  Zr  Zr204  1  0.960259  0.866357  0.649372  1
  Zr  Zr205  1  0.324439  0.204017  0.630534  1
  Zr  Zr206  1  0.293592  0.533023  0.649372  1
  Zr  Zr207  1  0.626926  0.199690  0.649372  1
  Zr  Zr208  1  0.463765  0.798036  0.646925  1
  Zr  Zr209  1  0.797099  0.464702  0.646925  1
  Zr  Zr210  1  0.867355  0.803974  0.604315  1
  Zr  Zr211  1  0.130432  0.131369  0.646925  1
  Zr  Zr212  1  0.200688  0.470641  0.604315  1
  Zr  Zr213  1  0.163726  0.801988  0.625679  1
  Zr  Zr214  1  0.534022  0.137307  0.604315  1
  Zr  Zr215  1  0.497059  0.468655  0.625679  1
  Zr  Zr216  1  0.830392  0.135322  0.625679  1
  Zr  Zr217  1  0.380983  0.693749  0.700347  1
  Zr  Zr218  1  0.714317  0.360416  0.700347  1
  Zr  Zr219  1  0.776498  0.697416  0.660810  1
  Zr  Zr220  1  0.047650  0.027082  0.700347  1
  Zr  Zr221  1  0.109831  0.364082  0.660810  1
  Zr  Zr222  1  0.077409  0.695276  0.683519  1
  Zr  Zr223  1  0.443164  0.030749  0.660810  1
  Zr  Zr224  1  0.410743  0.361943  0.683519  1
  Zr  Zr225  1  0.744076  0.028610  0.683519  1
  Zr  Zr226  1  0.282597  0.631903  0.656745  1
  Zr  Zr227  1  0.615930  0.298570  0.656745  1
  Zr  Zr228  1  0.587240  0.628546  0.679338  1
  Zr  Zr229  1  0.949264  0.965237  0.656745  1
  Zr  Zr230  1  0.920573  0.295213  0.679338  1
  Zr  Zr231  1  0.891229  0.622945  0.696345  1
  Zr  Zr232  1  0.253906  0.961879  0.679338  1
  Zr  Zr233  1  0.224562  0.289611  0.696345  1
  Zr  Zr234  1  0.557895  0.956278  0.696345  1
  Zr  Zr235  1  0.256681  0.863943  0.673823  1
  Zr  Zr236  1  0.590014  0.530609  0.673823  1
  Zr  Zr237  1  0.560261  0.861522  0.691443  1
  Zr  Zr238  1  0.923347  0.197276  0.673823  1
  Zr  Zr239  1  0.893595  0.528189  0.691443  1
  Zr  Zr240  1  0.860320  0.859103  0.709377  1
  Zr  Zr241  1  0.226928  0.194856  0.691443  1
  Zr  Zr242  1  0.193653  0.525770  0.709377  1
  Zr  Zr243  1  0.526987  0.192437  0.709377  1
  Zr  Zr244  1  0.372184  0.787008  0.705964  1
  Zr  Zr245  1  0.705517  0.453675  0.705964  1
  Zr  Zr246  1  0.764784  0.797184  0.666395  1
  Zr  Zr247  1  0.038851  0.120342  0.705964  1
  Zr  Zr248  1  0.098118  0.463851  0.666395  1
  Zr  Zr249  1  0.068014  0.793467  0.689796  1
  Zr  Zr250  1  0.431451  0.130518  0.666395  1
  Zr  Zr251  1  0.401348  0.460133  0.689796  1
  Zr  Zr252  1  0.734681  0.126800  0.689796  1
  Cu  Cu253  1  0.878799  0.801322  0.293348  1
  Cu  Cu254  1  0.212133  0.467989  0.293348  1
  Cu  Cu255  1  0.151697  0.798135  0.307421  1
  Cu  Cu256  1  0.545466  0.134655  0.293348  1
  Cu  Cu257  1  0.485030  0.464801  0.307421  1
  Cu  Cu258  1  0.484767  0.794363  0.330774  1
  Cu  Cu259  1  0.818364  0.131468  0.307421  1
  Cu  Cu260  1  0.818101  0.461030  0.330774  1
  Cu  Cu261  1  0.151434  0.127697  0.330774  1
  Cu  Cu262  1  0.995044  0.628729  0.321758  1
  Cu  Cu263  1  0.328377  0.295396  0.321758  1
  Cu  Cu264  1  0.390413  0.638143  0.283755  1
  Cu  Cu265  1  0.661711  0.962062  0.321758  1
  Cu  Cu266  1  0.723746  0.304809  0.283755  1
  Cu  Cu267  1  0.665400  0.633189  0.299722  1
  Cu  Cu268  1  0.057079  0.971476  0.283755  1
  Cu  Cu269  1  0.998734  0.299856  0.299722  1
  Cu  Cu270  1  0.332067  0.966522  0.299722  1
  Cu  Cu271  1  0.768638  0.792195  0.348057  1
  Cu  Cu272  1  0.101971  0.458862  0.348057  1
  Cu  Cu273  1  0.071896  0.788808  0.371439  1
  Cu  Cu274  1  0.435305  0.125529  0.348057  1
  Cu  Cu275  1  0.405229  0.455474  0.371439  1
  Cu  Cu276  1  0.376705  0.786560  0.393064  1
  Cu  Cu277  1  0.738562  0.122141  0.371439  1
  Cu  Cu278  1  0.710038  0.453227  0.393064  1
  Cu  Cu279  1  0.043372  0.119893  0.393064  1
  Cu  Cu280  1  0.892517  0.620022  0.380971  1
  Cu  Cu281  1  0.225851  0.286689  0.380971  1
  Cu  Cu282  1  0.292201  0.626811  0.338298  1
  Cu  Cu283  1  0.559184  0.953355  0.380971  1
  Cu  Cu284  1  0.625534  0.293477  0.338298  1
  Cu  Cu285  1  0.586425  0.623244  0.358889  1
  Cu  Cu286  1  0.958868  0.960144  0.338298  1
  Cu  Cu287  1  0.919758  0.289911  0.358889  1
  Cu  Cu288  1  0.253092  0.956577  0.358889  1
  Cu  Cu289  1  0.664676  0.783497  0.414310  1
  Cu  Cu290  1  0.998010  0.450164  0.414310  1
  Cu  Cu291  1  0.975473  0.780154  0.434643  1
  Cu  Cu292  1  0.331343  0.116830  0.414310  1
  Cu  Cu293  1  0.308806  0.446821  0.434643  1
  Cu  Cu294  1  0.270955  0.777294  0.454748  1
  Cu  Cu295  1  0.642139  0.113487  0.434643  1
  Cu  Cu296  1  0.604288  0.443960  0.454748  1
  Cu  Cu297  1  0.937622  0.110627  0.454748  1
  Cu  Cu298  1  0.787654  0.611835  0.444881  1
  Cu  Cu299  1  0.120987  0.278501  0.444881  1
  Cu  Cu300  1  0.188196  0.618210  0.404511  1
  Cu  Cu301  1  0.454321  0.945168  0.444881  1
  Cu  Cu302  1  0.521529  0.284877  0.404511  1
  Cu  Cu303  1  0.486479  0.614725  0.424695  1
  Cu  Cu304  1  0.854862  0.951544  0.404511  1
  Cu  Cu305  1  0.819812  0.281392  0.424695  1
  Cu  Cu306  1  0.153146  0.948058  0.424695  1
  Cu  Cu307  1  0.571864  0.774266  0.475371  1
  Cu  Cu308  1  0.905197  0.440933  0.475371  1
  Cu  Cu309  1  0.870639  0.771203  0.497246  1
  Cu  Cu310  1  0.238531  0.107600  0.475371  1
  Cu  Cu311  1  0.203973  0.437870  0.497246  1
  Cu  Cu312  1  0.169599  0.768213  0.519108  1
  Cu  Cu313  1  0.537306  0.104537  0.497246  1
  Cu  Cu314  1  0.502932  0.434880  0.519108  1
  Cu  Cu315  1  0.836265  0.101546  0.519108  1
  Cu  Cu316  1  0.687777  0.603211  0.507846  1
  Cu  Cu317  1  0.021110  0.269878  0.507846  1
  Cu  Cu318  1  0.088829  0.609209  0.464918  1
  Cu  Cu319  1  0.354444  0.936544  0.507846  1
  Cu  Cu320  1  0.422163  0.275876  0.464918  1
  Cu  Cu321  1  0.388189  0.605951  0.486351  1
  Cu  Cu322  1  0.755496  0.942542  0.464918  1
  Cu  Cu323  1  0.721522  0.272618  0.486351  1
  Cu  Cu324  1  0.054856  0.939284  0.486351  1
  Cu  Cu325  1  0.471823  0.765412  0.539369  1
  Cu  Cu326  1  0.805157  0.432079  0.539369  1
  Cu  Cu327  1  0.766962  0.762422  0.559229  1
  Cu  Cu328  1  0.138490  0.098745  0.539369  1
  Cu  Cu329  1  0.100295  0.429089  0.559229  1
  Cu  Cu330  1  0.076270  0.759279  0.579604  1
  Cu  Cu331  1  0.433628  0.095756  0.559229  1
  Cu  Cu332  1  0.409604  0.425946  0.579604  1
  Cu  Cu333  1  0.742937  0.092612  0.579604  1
  Cu  Cu334  1  0.591785  0.594113  0.569871  1
  Cu  Cu335  1  0.925118  0.260780  0.569871  1
  Cu  Cu336  1  0.987603  0.600094  0.528768  1
  Cu  Cu337  1  0.258452  0.927446  0.569871  1
  Cu  Cu338  1  0.320936  0.266761  0.528768  1
  Cu  Cu339  1  0.284527  0.597167  0.549293  1
  Cu  Cu340  1  0.654269  0.933427  0.528768  1
  Cu  Cu341  1  0.617861  0.263834  0.549293  1
  Cu  Cu342  1  0.951194  0.930500  0.549293  1
  Cu  Cu343  1  0.366683  0.756550  0.601580  1
  Cu  Cu344  1  0.700016  0.423217  0.601580  1
  Cu  Cu345  1  0.669342  0.753045  0.622911  1
  Cu  Cu346  1  0.033349  0.089884  0.601580  1
  Cu  Cu347  1  0.002675  0.419712  0.622911  1
  Cu  Cu348  1  0.972346  0.750174  0.645948  1
  Cu  Cu349  1  0.336009  0.086379  0.622911  1
  Cu  Cu350  1  0.305679  0.416840  0.645948  1
  Cu  Cu351  1  0.639013  0.083507  0.645948  1
  Cu  Cu352  1  0.491230  0.585127  0.635518  1
  Cu  Cu353  1  0.824563  0.251794  0.635518  1
  Cu  Cu354  1  0.883024  0.590685  0.591000  1
  Cu  Cu355  1  0.157897  0.918461  0.635518  1
  Cu  Cu356  1  0.216357  0.257352  0.591000  1
  Cu  Cu357  1  0.184189  0.588820  0.612487  1
  Cu  Cu358  1  0.549691  0.924018  0.591000  1
  Cu  Cu359  1  0.517522  0.255487  0.612487  1
  Cu  Cu360  1  0.850856  0.922154  0.612487  1
  Cu  Cu361  1  0.260022  0.747011  0.662993  1
  Cu  Cu362  1  0.593356  0.413678  0.662993  1
  Cu  Cu363  1  0.590883  0.743721  0.686694  1
  Cu  Cu364  1  0.926689  0.080345  0.662993  1
  Cu  Cu365  1  0.924216  0.410388  0.686694  1
  Cu  Cu366  1  0.864413  0.743078  0.700741  1
  Cu  Cu367  1  0.257550  0.077054  0.686694  1
  Cu  Cu368  1  0.197746  0.409744  0.700741  1
  Cu  Cu369  1  0.531079  0.076411  0.700741  1
  Cu  Cu370  1  0.378404  0.577671  0.692083  1
  Cu  Cu371  1  0.711737  0.244337  0.692083  1
  Cu  Cu372  1  0.778905  0.582566  0.652920  1
  Cu  Cu373  1  0.045070  0.911004  0.692083  1
  Cu  Cu374  1  0.112238  0.249232  0.652920  1
  Cu  Cu375  1  0.099551  0.580463  0.674155  1
  Cu  Cu376  1  0.445572  0.915899  0.652920  1
  Cu  Cu377  1  0.432884  0.247129  0.674155  1
  Cu  Cu378  1  0.766218  0.913796  0.674155  1
