# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.57998673
_cell_length_b   27.17491290
_cell_length_c   48.52168575
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr324 Cu108'
_cell_volume   20224.8226217
_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
  Zr  Zr1  1  0.069305  0.771074  0.299937  1
  Zr  Zr2  1  0.735408  0.604693  0.300511  1
  Zr  Zr3  1  0.688713  0.758166  0.321153  1
  Zr  Zr4  1  0.066011  0.272154  0.300668  1
  Zr  Zr5  1  0.023683  0.425750  0.321305  1
  Zr  Zr6  1  0.972047  0.580025  0.347608  1
  Zr  Zr7  1  0.404355  0.436806  0.300597  1
  Zr  Zr8  1  0.358196  0.591892  0.321370  1
  Zr  Zr9  1  0.305856  0.746265  0.347668  1
  Zr  Zr10  1  0.736785  0.103521  0.300010  1
  Zr  Zr11  1  0.695148  0.259775  0.322168  1
  Zr  Zr12  1  0.638406  0.412688  0.347365  1
  Zr  Zr13  1  0.028856  0.926407  0.322142  1
  Zr  Zr14  1  0.971424  0.079288  0.347449  1
  Zr  Zr15  1  0.399292  0.939025  0.300563  1
  Zr  Zr16  1  0.354645  0.091479  0.321194  1
  Zr  Zr17  1  0.303570  0.246926  0.347592  1
  Zr  Zr18  1  0.636610  0.913590  0.347619  1
  Zr  Zr19  1  0.215599  0.681731  0.310839  1
  Zr  Zr20  1  0.881161  0.515738  0.310753  1
  Zr  Zr21  1  0.830648  0.670285  0.333905  1
  Zr  Zr22  1  0.208804  0.181768  0.310960  1
  Zr  Zr23  1  0.163070  0.336873  0.334305  1
  Zr  Zr24  1  0.113471  0.489945  0.359175  1
  Zr  Zr25  1  0.550151  0.346781  0.309827  1
  Zr  Zr26  1  0.497780  0.502782  0.334155  1
  Zr  Zr27  1  0.446752  0.656262  0.359385  1
  Zr  Zr28  1  0.883993  0.013413  0.309843  1
  Zr  Zr29  1  0.830003  0.169371  0.333570  1
  Zr  Zr30  1  0.780383  0.324174  0.359871  1
  Zr  Zr31  1  0.163628  0.835997  0.333718  1
  Zr  Zr32  1  0.113563  0.990727  0.359961  1
  Zr  Zr33  1  0.542342  0.848724  0.310892  1
  Zr  Zr34  1  0.496500  0.003945  0.334028  1
  Zr  Zr35  1  0.590244  0.194920  0.290202  1
  Zr  Zr36  1  0.922866  0.862175  0.290228  1
  Zr  Zr37  1  0.025115  0.672232  0.319764  1
  Zr  Zr38  1  0.691244  0.505923  0.319652  1
  Zr  Zr39  1  0.634301  0.665569  0.344770  1
  Zr  Zr40  1  0.021555  0.172887  0.319838  1
  Zr  Zr41  1  0.967343  0.333117  0.345096  1
  Zr  Zr42  1  0.084703  0.529565  0.301248  1
  Zr  Zr43  1  0.357823  0.339059  0.319449  1
  Zr  Zr44  1  0.301832  0.498927  0.344476  1
  Zr  Zr45  1  0.420377  0.695413  0.301438  1
  Zr  Zr46  1  0.691970  0.005068  0.319560  1
  Zr  Zr47  1  0.640190  0.164368  0.347380  1
  Zr  Zr48  1  0.755133  0.363424  0.301469  1
  Zr  Zr49  1  0.973485  0.831256  0.347462  1
  Zr  Zr50  1  0.089406  0.030283  0.301572  1
  Zr  Zr51  1  0.355067  0.839755  0.319816  1
  Zr  Zr52  1  0.300495  0.999184  0.345234  1
  Zr  Zr53  1  0.403078  0.194939  0.299169  1
  Zr  Zr54  1  0.736108  0.862068  0.299158  1
  Zr  Zr55  1  0.926095  0.734226  0.369569  1
  Zr  Zr56  1  0.593111  0.567644  0.369649  1
  Zr  Zr57  1  0.542984  0.722319  0.394678  1
  Zr  Zr58  1  0.925457  0.234530  0.369674  1
  Zr  Zr59  1  0.876507  0.389346  0.395133  1
  Zr  Zr60  1  0.828576  0.544051  0.418558  1
  Zr  Zr61  1  0.259926  0.401105  0.369470  1
  Zr  Zr62  1  0.209767  0.555346  0.394717  1
  Zr  Zr63  1  0.162661  0.710441  0.418599  1
  Zr  Zr64  1  0.592962  0.067431  0.369495  1
  Zr  Zr65  1  0.542535  0.222331  0.395051  1
  Zr  Zr66  1  0.495497  0.377179  0.418467  1
  Zr  Zr67  1  0.875761  0.888955  0.395144  1
  Zr  Zr68  1  0.829144  0.043679  0.418445  1
  Zr  Zr69  1  0.258858  0.901041  0.369763  1
  Zr  Zr70  1  0.209990  0.056096  0.395073  1
  Zr  Zr71  1  0.162289  0.210740  0.418486  1
  Zr  Zr72  1  0.495856  0.877343  0.418459  1
  Zr  Zr73  1  0.066787  0.645788  0.382306  1
  Zr  Zr74  1  0.733219  0.479038  0.382207  1
  Zr  Zr75  1  0.685338  0.633672  0.405947  1
  Zr  Zr76  1  0.066378  0.145923  0.382252  1
  Zr  Zr77  1  0.018367  0.300130  0.406123  1
  Zr  Zr78  1  0.971518  0.454839  0.430691  1
  Zr  Zr79  1  0.400062  0.312273  0.381956  1
  Zr  Zr80  1  0.352140  0.466520  0.405876  1
  Zr  Zr81  1  0.305090  0.620998  0.430498  1
  Zr  Zr82  1  0.733361  0.978852  0.382006  1
  Zr  Zr83  1  0.685714  0.132741  0.406799  1
  Zr  Zr84  1  0.638152  0.287971  0.430470  1
  Zr  Zr85  1  0.018956  0.799533  0.406922  1
  Zr  Zr86  1  0.971619  0.954522  0.430486  1
  Zr  Zr87  1  0.400219  0.812717  0.382255  1
  Zr  Zr88  1  0.352015  0.966902  0.406058  1
  Zr  Zr89  1  0.448285  0.157436  0.357631  1
  Zr  Zr90  1  0.781566  0.824198  0.357587  1
  Zr  Zr91  1  0.876107  0.640028  0.394663  1
  Zr  Zr92  1  0.543083  0.473004  0.394676  1
  Zr  Zr93  1  0.496218  0.626400  0.418507  1
  Zr  Zr94  1  0.875998  0.139845  0.394546  1
  Zr  Zr95  1  0.829474  0.293287  0.418740  1
  Zr  Zr96  1  0.925157  0.484378  0.370505  1
  Zr  Zr97  1  0.209322  0.307035  0.394884  1
  Zr  Zr98  1  0.162776  0.459721  0.418443  1
  Zr  Zr99  1  0.258608  0.650420  0.370453  1
  Zr  Zr100  1  0.542537  0.973572  0.394771  1
  Zr  Zr101  1  0.495534  0.126609  0.417861  1
  Zr  Zr102  1  0.590916  0.317175  0.370222  1
  Zr  Zr103  1  0.828685  0.793217  0.417837  1
  Zr  Zr104  1  0.924390  0.983624  0.370261  1
  Zr  Zr105  1  0.209608  0.806508  0.394682  1
  Zr  Zr106  1  0.163109  0.959962  0.418745  1
  Zr  Zr107  1  0.259600  0.150976  0.370411  1
  Zr  Zr108  1  0.592899  0.817335  0.370233  1
  Zr  Zr109  1  0.780649  0.698620  0.442520  1
  Zr  Zr110  1  0.447392  0.531661  0.442557  1
  Zr  Zr111  1  0.400383  0.686593  0.466316  1
  Zr  Zr112  1  0.780761  0.198524  0.442699  1
  Zr  Zr113  1  0.733391  0.353408  0.466425  1
  Zr  Zr114  1  0.685788  0.508232  0.490298  1
  Zr  Zr115  1  0.113640  0.365231  0.442747  1
  Zr  Zr116  1  0.067108  0.519993  0.466323  1
  Zr  Zr117  1  0.018858  0.674717  0.490187  1
  Zr  Zr118  1  0.447309  0.032032  0.442581  1
  Zr  Zr119  1  0.400732  0.186664  0.466164  1
  Zr  Zr120  1  0.352327  0.341476  0.490237  1
  Zr  Zr121  1  0.733828  0.853217  0.466081  1
  Zr  Zr122  1  0.685336  0.008102  0.490271  1
  Zr  Zr123  1  0.114399  0.865154  0.442721  1
  Zr  Zr124  1  0.066928  0.020006  0.466315  1
  Zr  Zr125  1  0.019026  0.174867  0.490229  1
  Zr  Zr126  1  0.352809  0.841547  0.490220  1
  Zr  Zr127  1  0.923609  0.609357  0.454464  1
  Zr  Zr128  1  0.590303  0.442709  0.454564  1
  Zr  Zr129  1  0.542982  0.597368  0.478286  1
  Zr  Zr130  1  0.923521  0.109414  0.454436  1
  Zr  Zr131  1  0.876124  0.264195  0.478419  1
  Zr  Zr132  1  0.828475  0.418925  0.502250  1
  Zr  Zr133  1  0.257221  0.276007  0.454439  1
  Zr  Zr134  1  0.209487  0.430679  0.478274  1
  Zr  Zr135  1  0.161978  0.585510  0.502091  1
  Zr  Zr136  1  0.590562  0.942660  0.454382  1
  Zr  Zr137  1  0.542938  0.097391  0.478176  1
  Zr  Zr138  1  0.495243  0.252225  0.502150  1
  Zr  Zr139  1  0.876129  0.764066  0.478163  1
  Zr  Zr140  1  0.828304  0.918809  0.502065  1
  Zr  Zr141  1  0.257286  0.776030  0.454490  1
  Zr  Zr142  1  0.209866  0.930825  0.478354  1
  Zr  Zr143  1  0.305097  0.121534  0.430557  1
  Zr  Zr144  1  0.638238  0.787905  0.430379  1
  Zr  Zr145  1  0.733089  0.603416  0.466169  1
  Zr  Zr146  1  0.399720  0.436607  0.466097  1
  Zr  Zr147  1  0.352564  0.591447  0.490277  1
  Zr  Zr148  1  0.733294  0.103155  0.466252  1
  Zr  Zr149  1  0.685492  0.258300  0.490298  1
  Zr  Zr150  1  0.780544  0.448909  0.442393  1
  Zr  Zr151  1  0.066470  0.270004  0.466184  1
  Zr  Zr152  1  0.018853  0.425096  0.490493  1
  Zr  Zr153  1  0.114179  0.615418  0.442260  1
  Zr  Zr154  1  0.400119  0.936719  0.466168  1
  Zr  Zr155  1  0.352536  0.091707  0.490378  1
  Zr  Zr156  1  0.447272  0.282324  0.442279  1
  Zr  Zr157  1  0.685649  0.758357  0.490333  1
  Zr  Zr158  1  0.780477  0.949013  0.442284  1
  Zr  Zr159  1  0.066707  0.769869  0.466301  1
  Zr  Zr160  1  0.019026  0.924844  0.490197  1
  Zr  Zr161  1  0.113993  0.115625  0.442353  1
  Zr  Zr162  1  0.447594  0.782087  0.442256  1
  Zr  Zr163  1  0.638453  0.662857  0.514100  1
  Zr  Zr164  1  0.305039  0.496121  0.514013  1
  Zr  Zr165  1  0.257386  0.650942  0.537897  1
  Zr  Zr166  1  0.638049  0.162860  0.514025  1
  Zr  Zr167  1  0.590265  0.317744  0.538161  1
  Zr  Zr168  1  0.542569  0.472660  0.562037  1
  Zr  Zr169  1  0.971701  0.329667  0.514115  1
  Zr  Zr170  1  0.923132  0.484429  0.538287  1
  Zr  Zr171  1  0.876567  0.639166  0.561897  1
  Zr  Zr172  1  0.305461  0.996279  0.514092  1
  Zr  Zr173  1  0.256940  0.150917  0.538121  1
  Zr  Zr174  1  0.209730  0.305634  0.561774  1
  Zr  Zr175  1  0.589984  0.817709  0.538260  1
  Zr  Zr176  1  0.543630  0.972468  0.562002  1
  Zr  Zr177  1  0.971367  0.829528  0.514015  1
  Zr  Zr178  1  0.923522  0.984219  0.537824  1
  Zr  Zr179  1  0.876359  0.139392  0.561498  1
  Zr  Zr180  1  0.209611  0.806257  0.561689  1
  Zr  Zr181  1  0.780931  0.573676  0.526262  1
  Zr  Zr182  1  0.447635  0.406911  0.526063  1
  Zr  Zr183  1  0.400523  0.561474  0.549970  1
  Zr  Zr184  1  0.780779  0.073760  0.525696  1
  Zr  Zr185  1  0.733333  0.228397  0.549979  1
  Zr  Zr186  1  0.685530  0.383372  0.574115  1
  Zr  Zr187  1  0.114352  0.240291  0.526043  1
  Zr  Zr188  1  0.066790  0.394947  0.550152  1
  Zr  Zr189  1  0.018863  0.549614  0.573821  1
  Zr  Zr190  1  0.447964  0.907050  0.526219  1
  Zr  Zr191  1  0.400510  0.061611  0.550131  1
  Zr  Zr192  1  0.352423  0.215876  0.573933  1
  Zr  Zr193  1  0.733354  0.728295  0.550052  1
  Zr  Zr194  1  0.685631  0.882742  0.573972  1
  Zr  Zr195  1  0.114394  0.740375  0.525658  1
  Zr  Zr196  1  0.067093  0.894973  0.549790  1
  Zr  Zr197  1  0.162158  0.085536  0.502056  1
  Zr  Zr198  1  0.495519  0.752203  0.502078  1
  Zr  Zr199  1  0.590577  0.567800  0.538063  1
  Zr  Zr200  1  0.257048  0.401089  0.537990  1
  Zr  Zr201  1  0.209936  0.555311  0.561754  1
  Zr  Zr202  1  0.590772  0.067698  0.538296  1
  Zr  Zr203  1  0.543259  0.221946  0.561885  1
  Zr  Zr204  1  0.638096  0.412955  0.514295  1
  Zr  Zr205  1  0.923622  0.234727  0.537970  1
  Zr  Zr206  1  0.876393  0.388766  0.562019  1
  Zr  Zr207  1  0.971446  0.579351  0.514074  1
  Zr  Zr208  1  0.257522  0.901290  0.537948  1
  Zr  Zr209  1  0.210159  0.055280  0.561814  1
  Zr  Zr210  1  0.305056  0.245974  0.514104  1
  Zr  Zr211  1  0.543187  0.722047  0.561910  1
  Zr  Zr212  1  0.638253  0.912564  0.514055  1
  Zr  Zr213  1  0.924082  0.734288  0.538137  1
  Zr  Zr214  1  0.876269  0.888754  0.561767  1
  Zr  Zr215  1  0.971676  0.079452  0.514030  1
  Zr  Zr216  1  0.305187  0.746215  0.514174  1
  Zr  Zr217  1  0.494730  0.627263  0.585940  1
  Zr  Zr218  1  0.161321  0.460298  0.585921  1
  Zr  Zr219  1  0.115005  0.614780  0.609125  1
  Zr  Zr220  1  0.495337  0.126940  0.586194  1
  Zr  Zr221  1  0.447775  0.281275  0.608960  1
  Zr  Zr222  1  0.399640  0.436621  0.634532  1
  Zr  Zr223  1  0.827619  0.294154  0.586019  1
  Zr  Zr224  1  0.781912  0.448951  0.609434  1
  Zr  Zr225  1  0.730865  0.604220  0.635032  1
  Zr  Zr226  1  0.161783  0.960786  0.585821  1
  Zr  Zr227  1  0.114088  0.114870  0.608677  1
  Zr  Zr228  1  0.066176  0.269921  0.634659  1
  Zr  Zr229  1  0.448625  0.782249  0.609214  1
  Zr  Zr230  1  0.397618  0.937531  0.635164  1
  Zr  Zr231  1  0.828384  0.793431  0.585945  1
  Zr  Zr232  1  0.781063  0.947990  0.609333  1
  Zr  Zr233  1  0.732337  0.103631  0.634484  1
  Zr  Zr234  1  0.066365  0.770186  0.634191  1
  Zr  Zr235  1  0.637664  0.538372  0.597873  1
  Zr  Zr236  1  0.304946  0.371110  0.597572  1
  Zr  Zr237  1  0.257852  0.524961  0.621733  1
  Zr  Zr238  1  0.638568  0.037525  0.598706  1
  Zr  Zr239  1  0.590940  0.192373  0.622254  1
  Zr  Zr240  1  0.542545  0.346070  0.645627  1
  Zr  Zr241  1  0.971456  0.205338  0.597440  1
  Zr  Zr242  1  0.924113  0.358824  0.622171  1
  Zr  Zr243  1  0.876703  0.514917  0.646431  1
  Zr  Zr244  1  0.304834  0.872062  0.597618  1
  Zr  Zr245  1  0.257538  0.026031  0.622167  1
  Zr  Zr246  1  0.209141  0.178442  0.645643  1
  Zr  Zr247  1  0.590402  0.692286  0.622023  1
  Zr  Zr248  1  0.542838  0.847736  0.646489  1
  Zr  Zr249  1  0.972150  0.704045  0.598325  1
  Zr  Zr250  1  0.924272  0.858412  0.621714  1
  Zr  Zr251  1  0.018577  0.049491  0.573643  1
  Zr  Zr252  1  0.352425  0.716579  0.573923  1
  Zr  Zr253  1  0.447230  0.531851  0.610447  1
  Zr  Zr254  1  0.114747  0.364091  0.610070  1
  Zr  Zr255  1  0.064754  0.519948  0.633998  1
  Zr  Zr256  1  0.448412  0.030896  0.610071  1
  Zr  Zr257  1  0.399712  0.186367  0.634371  1
  Zr  Zr258  1  0.494812  0.377469  0.586052  1
  Zr  Zr259  1  0.781075  0.198114  0.609742  1
  Zr  Zr260  1  0.732552  0.354368  0.634334  1
  Zr  Zr261  1  0.827989  0.544721  0.586482  1
  Zr  Zr262  1  0.113643  0.865514  0.609989  1
  Zr  Zr263  1  0.067320  0.020015  0.633965  1
  Zr  Zr264  1  0.161620  0.210752  0.586053  1
  Zr  Zr265  1  0.400944  0.687256  0.634231  1
  Zr  Zr266  1  0.495045  0.878082  0.586539  1
  Zr  Zr267  1  0.781287  0.697605  0.609864  1
  Zr  Zr268  1  0.731663  0.852649  0.634224  1
  Zr  Zr269  1  0.826351  0.044633  0.584887  1
  Zr  Zr270  1  0.160300  0.711290  0.584854  1
  Zr  Zr271  1  0.349783  0.592757  0.657721  1
  Zr  Zr272  1  0.020242  0.424661  0.657069  1
  Zr  Zr273  1  0.971823  0.581762  0.683511  1
  Zr  Zr274  1  0.355257  0.090947  0.657320  1
  Zr  Zr275  1  0.298549  0.243692  0.681849  1
  Zr  Zr276  1  0.263615  0.399949  0.703953  1
  Zr  Zr277  1  0.688082  0.258888  0.657093  1
  Zr  Zr278  1  0.631000  0.412463  0.681891  1
  Zr  Zr279  1  0.593935  0.568469  0.704035  1
  Zr  Zr280  1  0.015844  0.926033  0.657772  1
  Zr  Zr281  1  0.961172  0.077637  0.681223  1
  Zr  Zr282  1  0.928953  0.233857  0.703893  1
  Zr  Zr283  1  0.294355  0.745134  0.681452  1
  Zr  Zr284  1  0.260824  0.901343  0.703897  1
  Zr  Zr285  1  0.685776  0.757548  0.657063  1
  Zr  Zr286  1  0.639601  0.913635  0.683510  1
  Zr  Zr287  1  0.601802  0.065489  0.703468  1
  Zr  Zr288  1  0.936488  0.730060  0.703605  1
  Zr  Zr289  1  0.495095  0.501992  0.670994  1
  Zr  Zr290  1  0.163296  0.333759  0.671019  1
  Zr  Zr291  1  0.115554  0.490263  0.693272  1
  Zr  Zr292  1  0.496797  1.000577  0.670633  1
  Zr  Zr293  1  0.448936  0.157295  0.694509  1
  Zr  Zr294  1  0.400948  0.307012  0.714488  1
  Zr  Zr295  1  0.829157  0.169067  0.670294  1
  Zr  Zr296  1  0.781173  0.326548  0.694239  1
  Zr  Zr297  1  0.734980  0.476008  0.714429  1
  Zr  Zr298  1  0.161427  0.836484  0.670251  1
  Zr  Zr299  1  0.103760  0.991463  0.694696  1
  Zr  Zr300  1  0.065162  0.139640  0.714233  1
  Zr  Zr301  1  0.436146  0.658058  0.694795  1
  Zr  Zr302  1  0.399985  0.807386  0.714132  1
  Zr  Zr303  1  0.828914  0.667883  0.670229  1
  Zr  Zr304  1  0.783246  0.820920  0.693486  1
  Zr  Zr305  1  0.878151  0.014519  0.642507  1
  Zr  Zr306  1  0.212211  0.681375  0.642567  1
  Zr  Zr307  1  0.301613  0.496931  0.682579  1
  Zr  Zr308  1  0.968266  0.330641  0.682834  1
  Zr  Zr309  1  0.918261  0.481714  0.704590  1
  Zr  Zr310  1  0.295183  0.998759  0.683332  1
  Zr  Zr311  1  0.248907  0.143459  0.704569  1
  Zr  Zr312  1  0.352251  0.339035  0.656675  1
  Zr  Zr313  1  0.633946  0.164576  0.683031  1
  Zr  Zr314  1  0.583200  0.312099  0.704544  1
  Zr  Zr315  1  0.685129  0.507193  0.656975  1
  Zr  Zr316  1  0.967177  0.829756  0.682727  1
  Zr  Zr317  1  0.880109  0.982235  0.700297  1
  Zr  Zr318  1  0.018148  0.172792  0.656538  1
  Zr  Zr319  1  0.213167  0.648870  0.700268  1
  Zr  Zr320  1  0.351410  0.840090  0.656783  1
  Zr  Zr321  1  0.627804  0.665330  0.683236  1
  Zr  Zr322  1  0.583634  0.814457  0.704654  1
  Zr  Zr323  1  0.694312  0.005030  0.659179  1
  Zr  Zr324  1  0.027898  0.671834  0.658645  1
  Cu  Cu325  1  0.259059  0.772045  0.293021  1
  Cu  Cu326  1  0.924066  0.606531  0.293049  1
  Cu  Cu327  1  0.880083  0.767647  0.313668  1
  Cu  Cu328  1  0.252557  0.273370  0.292994  1
  Cu  Cu329  1  0.211641  0.431810  0.314526  1
  Cu  Cu330  1  0.164404  0.588107  0.337546  1
  Cu  Cu331  1  0.591748  0.438982  0.293032  1
  Cu  Cu332  1  0.545490  0.598142  0.314552  1
  Cu  Cu333  1  0.496690  0.754984  0.337653  1
  Cu  Cu334  1  0.925739  0.105417  0.292944  1
  Cu  Cu335  1  0.879414  0.265532  0.314666  1
  Cu  Cu336  1  0.831188  0.422076  0.337751  1
  Cu  Cu337  1  0.212765  0.932079  0.314671  1
  Cu  Cu338  1  0.163657  0.088696  0.337964  1
  Cu  Cu339  1  0.586014  0.940569  0.292910  1
  Cu  Cu340  1  0.546318  0.100910  0.313652  1
  Cu  Cu341  1  0.498800  0.253050  0.336119  1
  Cu  Cu342  1  0.832338  0.919676  0.336201  1
  Cu  Cu343  1  0.114655  0.740579  0.358670  1
  Cu  Cu344  1  0.781047  0.574503  0.358536  1
  Cu  Cu345  1  0.733706  0.728329  0.382231  1
  Cu  Cu346  1  0.113877  0.241230  0.358658  1
  Cu  Cu347  1  0.066654  0.394959  0.382676  1
  Cu  Cu348  1  0.019009  0.549988  0.406907  1
  Cu  Cu349  1  0.447941  0.407171  0.358401  1
  Cu  Cu350  1  0.400458  0.561099  0.382485  1
  Cu  Cu351  1  0.352650  0.716395  0.406931  1
  Cu  Cu352  1  0.781363  0.073608  0.358487  1
  Cu  Cu353  1  0.734038  0.228105  0.382983  1
  Cu  Cu354  1  0.685560  0.383258  0.406953  1
  Cu  Cu355  1  0.067476  0.894811  0.383083  1
  Cu  Cu356  1  0.019017  0.049871  0.407005  1
  Cu  Cu357  1  0.447320  0.907903  0.358565  1
  Cu  Cu358  1  0.400198  0.061839  0.382366  1
  Cu  Cu359  1  0.352502  0.216743  0.406642  1
  Cu  Cu360  1  0.685789  0.883269  0.406593  1
  Cu  Cu361  1  0.971407  0.704607  0.430477  1
  Cu  Cu362  1  0.638155  0.537953  0.430537  1
  Cu  Cu363  1  0.590840  0.692736  0.454321  1
  Cu  Cu364  1  0.971554  0.204667  0.430710  1
  Cu  Cu365  1  0.923843  0.359459  0.454513  1
  Cu  Cu366  1  0.876061  0.514153  0.478384  1
  Cu  Cu367  1  0.304922  0.371228  0.430485  1
  Cu  Cu368  1  0.257357  0.525926  0.454385  1
  Cu  Cu369  1  0.209668  0.680676  0.478259  1
  Cu  Cu370  1  0.638150  0.037920  0.430392  1
  Cu  Cu371  1  0.590591  0.192675  0.454379  1
  Cu  Cu372  1  0.542809  0.347428  0.478336  1
  Cu  Cu373  1  0.923863  0.859295  0.454406  1
  Cu  Cu374  1  0.876069  0.014050  0.478293  1
  Cu  Cu375  1  0.305232  0.871313  0.430664  1
  Cu  Cu376  1  0.257590  0.026169  0.454383  1
  Cu  Cu377  1  0.209769  0.180815  0.478244  1
  Cu  Cu378  1  0.543101  0.847413  0.478227  1
  Cu  Cu379  1  0.828468  0.668840  0.502201  1
  Cu  Cu380  1  0.495399  0.502164  0.502174  1
  Cu  Cu381  1  0.448040  0.656967  0.525980  1
  Cu  Cu382  1  0.828438  0.168942  0.502132  1
  Cu  Cu383  1  0.780834  0.323748  0.526147  1
  Cu  Cu384  1  0.733068  0.478445  0.550111  1
  Cu  Cu385  1  0.161998  0.335521  0.502176  1
  Cu  Cu386  1  0.114328  0.490218  0.526077  1
  Cu  Cu387  1  0.066516  0.644891  0.549846  1
  Cu  Cu388  1  0.495377  1.002157  0.502182  1
  Cu  Cu389  1  0.447665  0.156868  0.526078  1
  Cu  Cu390  1  0.399903  0.311535  0.549947  1
  Cu  Cu391  1  0.780821  0.823532  0.526090  1
  Cu  Cu392  1  0.732924  0.978204  0.549919  1
  Cu  Cu393  1  0.162165  0.835530  0.502091  1
  Cu  Cu394  1  0.114681  0.990261  0.525928  1
  Cu  Cu395  1  0.066833  0.145096  0.549763  1
  Cu  Cu396  1  0.400266  0.811883  0.549881  1
  Cu  Cu397  1  0.685673  0.633148  0.574135  1
  Cu  Cu398  1  0.352468  0.466279  0.573798  1
  Cu  Cu399  1  0.305377  0.621101  0.597145  1
  Cu  Cu400  1  0.685257  0.133237  0.573709  1
  Cu  Cu401  1  0.638071  0.287926  0.597645  1
  Cu  Cu402  1  0.589688  0.442882  0.621688  1
  Cu  Cu403  1  0.018939  0.299857  0.573846  1
  Cu  Cu404  1  0.971424  0.454417  0.597631  1
  Cu  Cu405  1  0.925000  0.609333  0.622102  1
  Cu  Cu406  1  0.352790  0.966519  0.574093  1
  Cu  Cu407  1  0.305241  0.120759  0.597739  1
  Cu  Cu408  1  0.256671  0.275331  0.621486  1
  Cu  Cu409  1  0.638277  0.787548  0.597798  1
  Cu  Cu410  1  0.591668  0.942606  0.622392  1
  Cu  Cu411  1  0.018884  0.799762  0.573562  1
  Cu  Cu412  1  0.971794  0.954296  0.597092  1
  Cu  Cu413  1  0.923352  0.109752  0.620812  1
  Cu  Cu414  1  0.256828  0.776749  0.620965  1
  Cu  Cu415  1  0.540754  0.597559  0.646248  1
  Cu  Cu416  1  0.209740  0.429615  0.645653  1
  Cu  Cu417  1  0.160929  0.581682  0.665975  1
  Cu  Cu418  1  0.544260  0.096287  0.646225  1
  Cu  Cu419  1  0.493604  0.251212  0.667889  1
  Cu  Cu420  1  0.444687  0.403078  0.690330  1
  Cu  Cu421  1  0.876147  0.264284  0.645801  1
  Cu  Cu422  1  0.827502  0.419189  0.668075  1
  Cu  Cu423  1  0.779224  0.571300  0.690629  1
  Cu  Cu424  1  0.207636  0.930950  0.646019  1
  Cu  Cu425  1  0.156995  0.084302  0.667902  1
  Cu  Cu426  1  0.111492  0.235719  0.690368  1
  Cu  Cu427  1  0.491154  0.751761  0.668204  1
  Cu  Cu428  1  0.445429  0.903838  0.690663  1
  Cu  Cu429  1  0.877762  0.762434  0.645845  1
  Cu  Cu430  1  0.827436  0.914557  0.666197  1
  Cu  Cu431  1  0.777800  0.075626  0.689308  1
  Cu  Cu432  1  0.111023  0.742480  0.689159  1
