# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.52097903
_cell_length_b   23.85547718
_cell_length_c   47.80760070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.58085043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr240 Cu120'
_cell_volume   14779.105853
_cell_formula_units_Z   120
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  0.422127  0.506186  0.275634  1
  Zr  Zr2  1  0.088362  0.506094  0.275763  1
  Zr  Zr3  1  0.826983  0.983198  0.297143  1
  Zr  Zr4  1  0.754611  0.506158  0.275620  1
  Zr  Zr5  1  0.494845  0.980941  0.296265  1
  Zr  Zr6  1  0.156881  0.980991  0.296302  1
  Zr  Zr7  1  0.024512  0.378336  0.303633  1
  Zr  Zr8  1  0.691086  0.378424  0.303661  1
  Zr  Zr9  1  0.615011  0.887849  0.285546  1
  Zr  Zr10  1  0.357973  0.378445  0.303630  1
  Zr  Zr11  1  0.281627  0.893000  0.284251  1
  Zr  Zr12  1  0.943435  0.887903  0.285517  1
  Zr  Zr13  1  0.365564  0.728788  0.306636  1
  Zr  Zr14  1  0.034316  0.728748  0.306698  1
  Zr  Zr15  1  0.957687  0.244877  0.286405  1
  Zr  Zr16  1  0.701333  0.731613  0.307395  1
  Zr  Zr17  1  0.624063  0.244823  0.286401  1
  Zr  Zr18  1  0.291228  0.244779  0.286368  1
  Zr  Zr19  1  0.489347  0.638406  0.294359  1
  Zr  Zr20  1  0.153750  0.636689  0.294419  1
  Zr  Zr21  1  0.894455  0.118124  0.314940  1
  Zr  Zr22  1  0.819908  0.638406  0.294362  1
  Zr  Zr23  1  0.559994  0.117760  0.314659  1
  Zr  Zr24  1  0.228586  0.117764  0.314717  1
  Zr  Zr25  1  0.237618  0.470926  0.317567  1
  Zr  Zr26  1  0.904077  0.470920  0.317545  1
  Zr  Zr27  1  0.647404  0.955256  0.343349  1
  Zr  Zr28  1  0.570923  0.471124  0.317767  1
  Zr  Zr29  1  0.313709  0.956476  0.343683  1
  Zr  Zr30  1  0.978804  0.955211  0.343314  1
  Zr  Zr31  1  0.841837  0.346072  0.350455  1
  Zr  Zr32  1  0.508581  0.346242  0.350503  1
  Zr  Zr33  1  0.431452  0.862235  0.330802  1
  Zr  Zr34  1  0.175083  0.346004  0.350427  1
  Zr  Zr35  1  0.101683  0.862192  0.330818  1
  Zr  Zr36  1  0.765340  0.859693  0.329594  1
  Zr  Zr37  1  0.185674  0.700268  0.353750  1
  Zr  Zr38  1  0.849961  0.697833  0.354268  1
  Zr  Zr39  1  0.774182  0.211497  0.328728  1
  Zr  Zr40  1  0.518915  0.697766  0.354251  1
  Zr  Zr41  1  0.441308  0.211853  0.328924  1
  Zr  Zr42  1  0.108081  0.211521  0.328727  1
  Zr  Zr43  1  0.304587  0.605429  0.339756  1
  Zr  Zr44  1  0.971764  0.605413  0.339757  1
  Zr  Zr45  1  0.713200  0.088853  0.362188  1
  Zr  Zr46  1  0.637975  0.604996  0.339821  1
  Zr  Zr47  1  0.379643  0.088343  0.362059  1
  Zr  Zr48  1  0.046762  0.089002  0.362194  1
  Zr  Zr49  1  0.055874  0.440648  0.363649  1
  Zr  Zr50  1  0.723178  0.441315  0.363585  1
  Zr  Zr51  1  0.465822  0.927596  0.388443  1
  Zr  Zr52  1  0.389125  0.441240  0.363586  1
  Zr  Zr53  1  0.132852  0.927522  0.388433  1
  Zr  Zr54  1  0.799055  0.926885  0.388209  1
  Zr  Zr55  1  0.660959  0.317253  0.395555  1
  Zr  Zr56  1  0.327437  0.317013  0.395531  1
  Zr  Zr57  1  0.250650  0.830181  0.373151  1
  Zr  Zr58  1  0.993965  0.316832  0.395615  1
  Zr  Zr59  1  0.917295  0.831790  0.373928  1
  Zr  Zr60  1  0.585549  0.831857  0.373926  1
  Zr  Zr61  1  1.003121  0.668431  0.399746  1
  Zr  Zr62  1  0.669593  0.667796  0.400027  1
  Zr  Zr63  1  0.593641  0.183360  0.374266  1
  Zr  Zr64  1  0.336626  0.668498  0.399741  1
  Zr  Zr65  1  0.260961  0.183499  0.374357  1
  Zr  Zr66  1  0.927278  0.183594  0.374450  1
  Zr  Zr67  1  0.123183  0.575171  0.385102  1
  Zr  Zr68  1  0.789604  0.574080  0.385107  1
  Zr  Zr69  1  0.532868  0.060508  0.407340  1
  Zr  Zr70  1  0.455691  0.574139  0.385127  1
  Zr  Zr71  1  0.198874  0.060575  0.407314  1
  Zr  Zr72  1  0.866099  0.060887  0.407612  1
  Zr  Zr73  1  0.874578  0.411007  0.409884  1
  Zr  Zr74  1  0.541018  0.410702  0.409903  1
  Zr  Zr75  1  0.283739  0.895787  0.434034  1
  Zr  Zr76  1  0.207795  0.410887  0.409802  1
  Zr  Zr77  1  0.951052  0.896674  0.434197  1
  Zr  Zr78  1  0.616948  0.896461  0.434147  1
  Zr  Zr79  1  0.479238  0.286723  0.441513  1
  Zr  Zr80  1  0.145722  0.286635  0.441448  1
  Zr  Zr81  1  0.070168  0.802569  0.419417  1
  Zr  Zr82  1  0.812454  0.286821  0.441360  1
  Zr  Zr83  1  0.737116  0.802728  0.419919  1
  Zr  Zr84  1  0.403648  0.802473  0.419382  1
  Zr  Zr85  1  0.821970  0.638501  0.444878  1
  Zr  Zr86  1  0.488347  0.638721  0.444912  1
  Zr  Zr87  1  0.412435  0.153321  0.421502  1
  Zr  Zr88  1  0.154922  0.638356  0.445027  1
  Zr  Zr89  1  0.079397  0.153646  0.421652  1
  Zr  Zr90  1  0.745620  0.153578  0.421555  1
  Zr  Zr91  1  0.941090  0.543941  0.430336  1
  Zr  Zr92  1  0.607697  0.543919  0.430506  1
  Zr  Zr93  1  0.351530  0.031199  0.454517  1
  Zr  Zr94  1  0.274448  0.544078  0.430313  1
  Zr  Zr95  1  0.018013  0.030589  0.454230  1
  Zr  Zr96  1  0.684220  0.030899  0.454272  1
  Zr  Zr97  1  0.692716  0.380643  0.455630  1
  Zr  Zr98  1  0.359388  0.380459  0.455404  1
  Zr  Zr99  1  0.103111  0.867442  0.479347  1
  Zr  Zr100  1  0.026434  0.380846  0.455481  1
  Zr  Zr101  1  0.769686  0.867592  0.479391  1
  Zr  Zr102  1  0.436133  0.867281  0.479308  1
  Zr  Zr103  1  0.297926  0.257588  0.487028  1
  Zr  Zr104  1  0.964829  0.257481  0.487002  1
  Zr  Zr105  1  0.889311  0.773144  0.465329  1
  Zr  Zr106  1  0.631155  0.257102  0.486938  1
  Zr  Zr107  1  0.555542  0.772897  0.465317  1
  Zr  Zr108  1  0.222237  0.772969  0.465504  1
  Zr  Zr109  1  0.640353  0.608683  0.490270  1
  Zr  Zr110  1  0.307019  0.608725  0.490245  1
  Zr  Zr111  1  0.231181  0.124326  0.467441  1
  Zr  Zr112  1  0.973677  0.608829  0.490221  1
  Zr  Zr113  1  0.898205  0.124244  0.467578  1
  Zr  Zr114  1  0.564910  0.124643  0.467564  1
  Zr  Zr115  1  0.759771  0.514398  0.475904  1
  Zr  Zr116  1  0.426565  0.514733  0.475803  1
  Zr  Zr117  1  0.169960  1.001069  0.499748  1
  Zr  Zr118  1  0.093132  0.514362  0.475816  1
  Zr  Zr119  1  0.836428  1.001084  0.499573  1
  Zr  Zr120  1  0.503272  1.001315  0.499709  1
  Zr  Zr121  1  0.511650  0.350809  0.501502  1
  Zr  Zr122  1  0.178051  0.351013  0.501492  1
  Zr  Zr123  1  0.921459  0.837347  0.525258  1
  Zr  Zr124  1  0.844620  0.350668  0.501295  1
  Zr  Zr125  1  0.588146  0.837398  0.525112  1
  Zr  Zr126  1  0.254842  0.837583  0.525235  1
  Zr  Zr127  1  0.116822  0.227871  0.533647  1
  Zr  Zr128  1  0.783242  0.227366  0.533684  1
  Zr  Zr129  1  0.707612  0.743203  0.510854  1
  Zr  Zr130  1  0.449700  0.227665  0.533595  1
  Zr  Zr131  1  0.374271  0.743095  0.510856  1
  Zr  Zr132  1  0.040881  0.743067  0.510870  1
  Zr  Zr133  1  0.458779  0.578798  0.535566  1
  Zr  Zr134  1  0.125536  0.578861  0.535523  1
  Zr  Zr135  1  0.049990  0.094371  0.514098  1
  Zr  Zr136  1  0.792481  0.579092  0.535529  1
  Zr  Zr137  1  0.716920  0.094857  0.514179  1
  Zr  Zr138  1  0.383224  0.094685  0.514213  1
  Zr  Zr139  1  0.578516  0.484439  0.521689  1
  Zr  Zr140  1  0.244721  0.484301  0.521668  1
  Zr  Zr141  1  0.988429  0.971316  0.545708  1
  Zr  Zr142  1  0.911775  0.484827  0.521776  1
  Zr  Zr143  1  0.655366  0.971526  0.545503  1
  Zr  Zr144  1  0.321653  0.971172  0.545577  1
  Zr  Zr145  1  0.330374  0.321546  0.547016  1
  Zr  Zr146  1  0.996170  0.320981  0.546796  1
  Zr  Zr147  1  0.740372  0.808046  0.570598  1
  Zr  Zr148  1  0.663701  0.320785  0.546766  1
  Zr  Zr149  1  0.406909  0.808140  0.570588  1
  Zr  Zr150  1  0.073453  0.807800  0.570764  1
  Zr  Zr151  1  0.935149  0.198628  0.579642  1
  Zr  Zr152  1  0.602687  0.198678  0.579723  1
  Zr  Zr153  1  0.526224  0.713538  0.556018  1
  Zr  Zr154  1  0.268704  0.198135  0.579481  1
  Zr  Zr155  1  0.192881  0.713599  0.555998  1
  Zr  Zr156  1  0.859729  0.713423  0.555954  1
  Zr  Zr157  1  0.277870  0.549172  0.581413  1
  Zr  Zr158  1  0.944509  0.549625  0.582124  1
  Zr  Zr159  1  0.868742  0.065272  0.559607  1
  Zr  Zr160  1  0.610596  0.549229  0.581432  1
  Zr  Zr161  1  0.535526  0.065129  0.559682  1
  Zr  Zr162  1  0.202324  0.065433  0.559773  1
  Zr  Zr163  1  0.397097  0.454935  0.566787  1
  Zr  Zr164  1  0.063730  0.455946  0.567044  1
  Zr  Zr165  1  0.807017  0.941163  0.591214  1
  Zr  Zr166  1  0.731380  0.456080  0.567068  1
  Zr  Zr167  1  0.473403  0.941072  0.591162  1
  Zr  Zr168  1  0.140131  0.941043  0.591250  1
  Zr  Zr169  1  0.149020  0.291084  0.593602  1
  Zr  Zr170  1  0.815665  0.291831  0.594026  1
  Zr  Zr171  1  0.558924  0.778387  0.615863  1
  Zr  Zr172  1  0.481496  0.291162  0.593582  1
  Zr  Zr173  1  0.224589  0.777141  0.615902  1
  Zr  Zr174  1  0.892031  0.777130  0.615873  1
  Zr  Zr175  1  0.754064  0.168666  0.626932  1
  Zr  Zr176  1  0.421147  0.168462  0.626771  1
  Zr  Zr177  1  0.345131  0.683863  0.601163  1
  Zr  Zr178  1  0.086874  0.168348  0.626698  1
  Zr  Zr179  1  0.011115  0.682840  0.601494  1
  Zr  Zr180  1  0.678062  0.683848  0.601162  1
  Zr  Zr181  1  0.097657  0.520972  0.627290  1
  Zr  Zr182  1  0.762856  0.520913  0.627275  1
  Zr  Zr183  1  0.686985  0.034588  0.605588  1
  Zr  Zr184  1  0.429681  0.519669  0.626553  1
  Zr  Zr185  1  0.353906  0.034990  0.605515  1
  Zr  Zr186  1  0.020678  0.035175  0.605524  1
  Zr  Zr187  1  0.215590  0.424956  0.612856  1
  Zr  Zr188  1  0.881724  0.423865  0.612602  1
  Zr  Zr189  1  0.625010  0.910372  0.637504  1
  Zr  Zr190  1  0.548797  0.424876  0.612827  1
  Zr  Zr191  1  0.291598  0.911039  0.637490  1
  Zr  Zr192  1  0.959065  0.911088  0.637469  1
  Zr  Zr193  1  0.968103  0.263624  0.639099  1
  Zr  Zr194  1  0.635246  0.263720  0.639107  1
  Zr  Zr195  1  0.376451  0.746678  0.661248  1
  Zr  Zr196  1  0.301175  0.262740  0.638918  1
  Zr  Zr197  1  0.043104  0.746449  0.661352  1
  Zr  Zr198  1  0.709981  0.746684  0.661245  1
  Zr  Zr199  1  0.573693  0.140121  0.672224  1
  Zr  Zr200  1  0.240287  0.140653  0.672529  1
  Zr  Zr201  1  0.163917  0.653162  0.646757  1
  Zr  Zr202  1  0.906323  0.140100  0.672215  1
  Zr  Zr203  1  0.828883  0.653233  0.646759  1
  Zr  Zr204  1  0.497422  0.655217  0.646294  1
  Zr  Zr205  1  0.914204  0.488654  0.670181  1
  Zr  Zr206  1  0.583201  0.491485  0.671441  1
  Zr  Zr207  1  0.505946  0.005664  0.650611  1
  Zr  Zr208  1  0.248052  0.491530  0.671444  1
  Zr  Zr209  1  0.172833  0.005873  0.650714  1
  Zr  Zr210  1  0.839513  0.005715  0.650623  1
  Zr  Zr211  1  0.035798  0.396416  0.657749  1
  Zr  Zr212  1  0.700293  0.396394  0.657726  1
  Zr  Zr213  1  0.443779  0.880760  0.683418  1
  Zr  Zr214  1  0.368486  0.397269  0.658071  1
  Zr  Zr215  1  0.110371  0.880835  0.683575  1
  Zr  Zr216  1  0.776921  0.880762  0.683399  1
  Zr  Zr217  1  0.787068  0.234285  0.686677  1
  Zr  Zr218  1  0.455023  0.234044  0.686252  1
  Zr  Zr219  1  0.195237  0.714182  0.706551  1
  Zr  Zr220  1  0.118872  0.234041  0.686204  1
  Zr  Zr221  1  0.858830  0.714208  0.706548  1
  Zr  Zr222  1  0.526142  0.712472  0.706614  1
  Zr  Zr223  1  0.390663  0.107021  0.714685  1
  Zr  Zr224  1  0.056537  0.107051  0.714704  1
  Zr  Zr225  1  0.981607  0.623688  0.695179  1
  Zr  Zr226  1  0.723615  0.107029  0.714705  1
  Zr  Zr227  1  0.647868  0.620696  0.694094  1
  Zr  Zr228  1  0.312491  0.620687  0.694067  1
  Zr  Zr229  1  0.731352  0.463350  0.715739  1
  Zr  Zr230  1  0.403252  0.466521  0.714768  1
  Zr  Zr231  1  0.323413  0.973445  0.697486  1
  Zr  Zr232  1  0.072125  0.463272  0.715764  1
  Zr  Zr233  1  0.990032  0.973423  0.697500  1
  Zr  Zr234  1  0.656688  0.973313  0.697440  1
  Zr  Zr235  1  0.856048  0.372246  0.705422  1
  Zr  Zr236  1  0.519322  0.369025  0.704131  1
  Zr  Zr237  1  0.259802  0.845421  0.725296  1
  Zr  Zr238  1  0.189583  0.368999  0.704108  1
  Zr  Zr239  1  0.925692  0.845403  0.725282  1
  Zr  Zr240  1  0.592776  0.845429  0.725482  1
  Cu  Cu241  1  0.289819  0.573306  0.285771  1
  Cu  Cu242  1  0.954080  0.573298  0.285767  1
  Cu  Cu243  1  0.692488  0.048649  0.308526  1
  Cu  Cu244  1  0.621918  0.573183  0.285768  1
  Cu  Cu245  1  0.358999  0.047242  0.307916  1
  Cu  Cu246  1  0.026862  0.048674  0.308551  1
  Cu  Cu247  1  0.158134  0.312088  0.296807  1
  Cu  Cu248  1  0.824462  0.312106  0.296838  1
  Cu  Cu249  1  0.558073  0.792459  0.318228  1
  Cu  Cu250  1  0.491272  0.312189  0.296877  1
  Cu  Cu251  1  0.414963  0.830144  0.278667  1
  Cu  Cu252  1  0.085013  0.830000  0.278707  1
  Cu  Cu253  1  0.104689  0.538573  0.329588  1
  Cu  Cu254  1  0.772290  0.539723  0.329009  1
  Cu  Cu255  1  0.515097  0.023645  0.350187  1
  Cu  Cu256  1  0.438214  0.539722  0.329043  1
  Cu  Cu257  1  0.179371  0.023596  0.350255  1
  Cu  Cu258  1  0.847702  0.024183  0.351124  1
  Cu  Cu259  1  0.976014  0.281382  0.339192  1
  Cu  Cu260  1  0.642933  0.281578  0.339206  1
  Cu  Cu261  1  0.387433  0.763530  0.363466  1
  Cu  Cu262  1  0.309480  0.281599  0.339128  1
  Cu  Cu263  1  0.232796  0.794483  0.313405  1
  Cu  Cu264  1  0.905506  0.792458  0.318110  1
  Cu  Cu265  1  0.923813  0.507579  0.374081  1
  Cu  Cu266  1  0.589064  0.507190  0.374484  1
  Cu  Cu267  1  0.332264  0.993598  0.400127  1
  Cu  Cu268  1  0.254957  0.507588  0.374110  1
  Cu  Cu269  1  0.998031  0.993279  0.399170  1
  Cu  Cu270  1  0.666466  0.993208  0.399305  1
  Cu  Cu271  1  0.792923  0.249049  0.385522  1
  Cu  Cu272  1  0.460488  0.249237  0.385766  1
  Cu  Cu273  1  0.203210  0.735316  0.410220  1
  Cu  Cu274  1  0.126980  0.249025  0.385528  1
  Cu  Cu275  1  0.047246  0.763561  0.363546  1
  Cu  Cu276  1  0.717202  0.763556  0.364666  1
  Cu  Cu277  1  0.740646  0.477009  0.420044  1
  Cu  Cu278  1  0.407677  0.477022  0.420016  1
  Cu  Cu279  1  0.152669  0.964583  0.443565  1
  Cu  Cu280  1  0.074626  0.477479  0.419748  1
  Cu  Cu281  1  0.817668  0.964544  0.443340  1
  Cu  Cu282  1  0.483812  0.964488  0.443653  1
  Cu  Cu283  1  0.612451  0.220423  0.430322  1
  Cu  Cu284  1  0.279650  0.220386  0.430572  1
  Cu  Cu285  1  0.022283  0.706044  0.455245  1
  Cu  Cu286  1  0.945616  0.220111  0.430729  1
  Cu  Cu287  1  0.869695  0.735666  0.409782  1
  Cu  Cu288  1  0.537430  0.735744  0.409698  1
  Cu  Cu289  1  0.559059  0.447243  0.466016  1
  Cu  Cu290  1  0.226801  0.447393  0.465881  1
  Cu  Cu291  1  0.969771  0.933933  0.490229  1
  Cu  Cu292  1  0.892750  0.447306  0.466063  1
  Cu  Cu293  1  0.635870  0.934018  0.490001  1
  Cu  Cu294  1  0.303199  0.934017  0.489851  1
  Cu  Cu295  1  0.430408  0.190184  0.477901  1
  Cu  Cu296  1  0.097760  0.190226  0.478133  1
  Cu  Cu297  1  0.840540  0.676176  0.500287  1
  Cu  Cu298  1  0.765017  0.190422  0.477822  1
  Cu  Cu299  1  0.689097  0.705853  0.455385  1
  Cu  Cu300  1  0.355098  0.706020  0.455258  1
  Cu  Cu301  1  0.378625  0.418073  0.510731  1
  Cu  Cu302  1  0.044335  0.417934  0.511235  1
  Cu  Cu303  1  0.788395  0.904697  0.535077  1
  Cu  Cu304  1  0.712134  0.417896  0.511361  1
  Cu  Cu305  1  0.455577  0.904777  0.534954  1
  Cu  Cu306  1  0.121390  0.904518  0.535140  1
  Cu  Cu307  1  0.249893  0.161749  0.522994  1
  Cu  Cu308  1  0.917683  0.161846  0.523212  1
  Cu  Cu309  1  0.658915  0.645818  0.545935  1
  Cu  Cu310  1  0.583307  0.161703  0.523454  1
  Cu  Cu311  1  0.507431  0.675943  0.500469  1
  Cu  Cu312  1  0.174067  0.675953  0.500484  1
  Cu  Cu313  1  0.195220  0.387362  0.557756  1
  Cu  Cu314  1  0.863094  0.387553  0.557226  1
  Cu  Cu315  1  0.607311  0.875191  0.580839  1
  Cu  Cu316  1  0.531531  0.387435  0.557654  1
  Cu  Cu317  1  0.273449  0.874607  0.581270  1
  Cu  Cu318  1  0.940264  0.874627  0.581239  1
  Cu  Cu319  1  0.068251  0.131873  0.570367  1
  Cu  Cu320  1  0.735148  0.131397  0.570883  1
  Cu  Cu321  1  0.477857  0.616453  0.590882  1
  Cu  Cu322  1  0.402892  0.131831  0.570575  1
  Cu  Cu323  1  0.325594  0.645804  0.545931  1
  Cu  Cu324  1  0.992627  0.645663  0.545987  1
  Cu  Cu325  1  0.017309  0.358678  0.601465  1
  Cu  Cu326  1  0.681034  0.358729  0.601387  1
  Cu  Cu327  1  0.424146  0.844618  0.626752  1
  Cu  Cu328  1  0.349025  0.358778  0.602390  1
  Cu  Cu329  1  0.091938  0.844384  0.626996  1
  Cu  Cu330  1  0.760053  0.844608  0.626728  1
  Cu  Cu331  1  0.887094  0.102769  0.615385  1
  Cu  Cu332  1  0.554944  0.102749  0.615401  1
  Cu  Cu333  1  0.299984  0.588145  0.637160  1
  Cu  Cu334  1  0.221466  0.102957  0.615809  1
  Cu  Cu335  1  0.145625  0.616603  0.590673  1
  Cu  Cu336  1  0.810350  0.616558  0.590732  1
  Cu  Cu337  1  0.834250  0.328685  0.651647  1
  Cu  Cu338  1  0.499288  0.328118  0.650152  1
  Cu  Cu339  1  0.242831  0.812708  0.671620  1
  Cu  Cu340  1  0.168464  0.328157  0.650103  1
  Cu  Cu341  1  0.909789  0.812728  0.671584  1
  Cu  Cu342  1  0.575811  0.811704  0.672244  1
  Cu  Cu343  1  0.704978  0.070146  0.661911  1
  Cu  Cu344  1  0.371651  0.070426  0.661909  1
  Cu  Cu345  1  0.108791  0.559143  0.683510  1
  Cu  Cu346  1  0.038720  0.070409  0.661963  1
  Cu  Cu347  1  0.963735  0.588014  0.638886  1
  Cu  Cu348  1  0.627918  0.588182  0.637207  1
  Cu  Cu349  1  0.656843  0.304566  0.693038  1
  Cu  Cu350  1  0.321214  0.302459  0.692365  1
  Cu  Cu351  1  0.059153  0.778177  0.715362  1
  Cu  Cu352  1  0.987649  0.304557  0.693022  1
  Cu  Cu353  1  0.724591  0.778364  0.715276  1
  Cu  Cu354  1  0.393817  0.778367  0.715281  1
  Cu  Cu355  1  0.523440  0.039631  0.704230  1
  Cu  Cu356  1  0.190010  0.039878  0.704303  1
  Cu  Cu357  1  0.930891  0.521044  0.722194  1
  Cu  Cu358  1  0.856459  0.039643  0.704244  1
  Cu  Cu359  1  0.789901  0.559142  0.683380  1
  Cu  Cu360  1  0.450395  0.561027  0.680180  1
