# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.62873704
_cell_length_b   20.05064757
_cell_length_c   46.79177171
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr144 Cu144'
_cell_volume   10740.9832451
_cell_formula_units_Z   144
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  0.815737  0.633249  0.327557  1
  Zr  Zr2  1  0.489946  0.467393  0.330310  1
  Zr  Zr3  1  0.578792  0.662574  0.292538  1
  Zr  Zr4  1  0.958199  0.170091  0.277475  1
  Zr  Zr5  1  0.925990  0.325780  0.292694  1
  Zr  Zr6  1  0.868735  0.479808  0.310267  1
  Zr  Zr7  1  0.298210  0.338439  0.277266  1
  Zr  Zr8  1  0.250590  0.494258  0.292813  1
  Zr  Zr9  1  0.209022  0.649477  0.308099  1
  Zr  Zr10  1  0.620419  1.000492  0.277543  1
  Zr  Zr11  1  0.594572  0.158345  0.291479  1
  Zr  Zr12  1  0.534553  0.313066  0.309741  1
  Zr  Zr13  1  0.926604  0.824683  0.291713  1
  Zr  Zr14  1  0.866141  0.986886  0.306089  1
  Zr  Zr15  1  0.284731  0.831631  0.276929  1
  Zr  Zr16  1  0.262552  0.990158  0.290742  1
  Zr  Zr17  1  0.198366  0.151333  0.307354  1
  Zr  Zr18  1  0.535362  0.820974  0.306387  1
  Zr  Zr19  1  0.675600  0.599046  0.381185  1
  Zr  Zr20  1  0.341605  0.433194  0.386009  1
  Zr  Zr21  1  0.446123  0.621772  0.347536  1
  Zr  Zr22  1  0.821882  0.136668  0.327345  1
  Zr  Zr23  1  0.771446  0.293920  0.345265  1
  Zr  Zr24  1  0.724793  0.442487  0.363084  1
  Zr  Zr25  1  0.158017  0.302150  0.327618  1
  Zr  Zr26  1  0.107924  0.458966  0.346152  1
  Zr  Zr27  1  0.057739  0.610213  0.363221  1
  Zr  Zr28  1  0.487181  0.968494  0.329119  1
  Zr  Zr29  1  0.439953  0.122891  0.348209  1
  Zr  Zr30  1  0.388193  0.273946  0.364422  1
  Zr  Zr31  1  0.777634  0.788322  0.347432  1
  Zr  Zr32  1  0.721224  0.941578  0.363551  1
  Zr  Zr33  1  0.149827  0.799875  0.329570  1
  Zr  Zr34  1  0.107945  0.955271  0.347726  1
  Zr  Zr35  1  0.053712  0.107578  0.364115  1
  Zr  Zr36  1  0.389803  0.776042  0.364339  1
  Zr  Zr37  1  0.529700  0.561291  0.440425  1
  Zr  Zr38  1  0.195977  0.394813  0.439403  1
  Zr  Zr39  1  0.296205  0.584124  0.404109  1
  Zr  Zr40  1  0.675598  0.099431  0.384969  1
  Zr  Zr41  1  0.626571  0.251552  0.403058  1
  Zr  Zr42  1  0.575618  0.404181  0.421835  1
  Zr  Zr43  1  0.009615  0.266155  0.385799  1
  Zr  Zr44  1  0.959382  0.418610  0.403617  1
  Zr  Zr45  1  0.907491  0.571368  0.421886  1
  Zr  Zr46  1  0.341641  0.932547  0.383292  1
  Zr  Zr47  1  0.295009  0.084505  0.401287  1
  Zr  Zr48  1  0.239583  0.240204  0.420318  1
  Zr  Zr49  1  0.629346  0.752362  0.402549  1
  Zr  Zr50  1  0.578232  0.903206  0.421385  1
  Zr  Zr51  1  0.009252  0.763691  0.380612  1
  Zr  Zr52  1  0.961510  0.919372  0.400985  1
  Zr  Zr53  1  0.907398  0.073767  0.419242  1
  Zr  Zr54  1  0.243328  0.736499  0.421753  1
  Zr  Zr55  1  0.380593  0.522620  0.499064  1
  Zr  Zr56  1  0.047095  0.356675  0.498682  1
  Zr  Zr57  1  0.146180  0.549293  0.458553  1
  Zr  Zr58  1  0.532221  0.058726  0.441102  1
  Zr  Zr59  1  0.479940  0.214706  0.461036  1
  Zr  Zr60  1  0.432185  0.364665  0.478074  1
  Zr  Zr61  1  0.865134  0.226950  0.438685  1
  Zr  Zr62  1  0.810577  0.384303  0.458618  1
  Zr  Zr63  1  0.762576  0.534723  0.476263  1
  Zr  Zr64  1  0.197140  0.892453  0.441156  1
  Zr  Zr65  1  0.148922  0.046923  0.460097  1
  Zr  Zr66  1  0.097193  0.199018  0.477411  1
  Zr  Zr67  1  0.480310  0.715204  0.459141  1
  Zr  Zr68  1  0.431135  0.866965  0.476330  1
  Zr  Zr69  1  0.863883  0.726036  0.439686  1
  Zr  Zr70  1  0.815210  0.880979  0.459178  1
  Zr  Zr71  1  0.763931  0.032848  0.476594  1
  Zr  Zr72  1  0.095492  0.702131  0.475624  1
  Zr  Zr73  1  0.233397  0.485454  0.551241  1
  Zr  Zr74  1  0.903129  0.317443  0.550800  1
  Zr  Zr75  1  0.001708  0.509328  0.516116  1
  Zr  Zr76  1  0.381546  0.023195  0.495315  1
  Zr  Zr77  1  0.334266  0.176568  0.513180  1
  Zr  Zr78  1  0.280142  0.330226  0.533123  1
  Zr  Zr79  1  0.716081  0.189004  0.497294  1
  Zr  Zr80  1  0.667019  0.343776  0.515196  1
  Zr  Zr81  1  0.612660  0.496295  0.534059  1
  Zr  Zr82  1  0.047840  0.856837  0.494760  1
  Zr  Zr83  1  0.001680  0.009759  0.513310  1
  Zr  Zr84  1  0.947536  0.164068  0.532486  1
  Zr  Zr85  1  0.334546  0.675555  0.516631  1
  Zr  Zr86  1  0.282575  0.828438  0.534598  1
  Zr  Zr87  1  0.715392  0.688658  0.497046  1
  Zr  Zr88  1  0.668166  0.842101  0.516232  1
  Zr  Zr89  1  0.617175  0.994559  0.534936  1
  Zr  Zr90  1  0.946471  0.662882  0.534066  1
  Zr  Zr91  1  0.088618  0.448962  0.612050  1
  Zr  Zr92  1  0.755565  0.279976  0.609461  1
  Zr  Zr93  1  0.853090  0.473528  0.572597  1
  Zr  Zr94  1  0.237045  0.983508  0.553466  1
  Zr  Zr95  1  0.187139  0.137949  0.572586  1
  Zr  Zr96  1  0.141260  0.290327  0.590310  1
  Zr  Zr97  1  0.572694  0.148407  0.553043  1
  Zr  Zr98  1  0.519509  0.305446  0.573863  1
  Zr  Zr99  1  0.472217  0.457426  0.590771  1
  Zr  Zr100  1  0.902957  0.816517  0.552036  1
  Zr  Zr101  1  0.855024  0.971298  0.571486  1
  Zr  Zr102  1  0.806810  0.125790  0.588806  1
  Zr  Zr103  1  0.184946  0.641489  0.571171  1
  Zr  Zr104  1  0.136683  0.792842  0.588231  1
  Zr  Zr105  1  0.569045  0.650512  0.552151  1
  Zr  Zr106  1  0.519291  0.807493  0.571111  1
  Zr  Zr107  1  0.472180  0.959958  0.588372  1
  Zr  Zr108  1  0.804114  0.624763  0.589683  1
  Zr  Zr109  1  0.950022  0.408217  0.662406  1
  Zr  Zr110  1  0.616703  0.240002  0.663645  1
  Zr  Zr111  1  0.710068  0.433586  0.627674  1
  Zr  Zr112  1  0.090748  0.948862  0.609531  1
  Zr  Zr113  1  0.044403  0.100031  0.626472  1
  Zr  Zr114  1  0.990893  0.254354  0.646161  1
  Zr  Zr115  1  0.423830  0.112623  0.607846  1
  Zr  Zr116  1  0.376061  0.267628  0.625377  1
  Zr  Zr117  1  0.319160  0.424155  0.645312  1
  Zr  Zr118  1  0.758887  0.781236  0.611514  1
  Zr  Zr119  1  0.708375  0.933789  0.629374  1
  Zr  Zr120  1  0.659141  0.085078  0.648208  1
  Zr  Zr121  1  0.042584  0.600127  0.629423  1
  Zr  Zr122  1  0.987465  0.752212  0.646825  1
  Zr  Zr123  1  0.424154  0.615437  0.611781  1
  Zr  Zr124  1  0.376082  0.767034  0.629185  1
  Zr  Zr125  1  0.321811  0.918443  0.646423  1
  Zr  Zr126  1  0.649779  0.590345  0.645979  1
  Zr  Zr127  1  0.804810  0.376917  0.717589  1
  Zr  Zr128  1  0.471050  0.209694  0.715854  1
  Zr  Zr129  1  0.553656  0.394517  0.687025  1
  Zr  Zr130  1  0.947663  0.910056  0.660975  1
  Zr  Zr131  1  0.892324  0.062533  0.683477  1
  Zr  Zr132  1  0.858415  0.220065  0.699688  1
  Zr  Zr133  1  0.281222  0.074225  0.666068  1
  Zr  Zr134  1  0.227577  0.226083  0.684712  1
  Zr  Zr135  1  0.194222  0.383258  0.700641  1
  Zr  Zr136  1  0.613991  0.745013  0.661441  1
  Zr  Zr137  1  0.559568  0.897997  0.683186  1
  Zr  Zr138  1  0.519675  0.053664  0.699193  1
  Zr  Zr139  1  0.888667  0.561255  0.686167  1
  Zr  Zr140  1  0.854507  0.717103  0.699635  1
  Zr  Zr141  1  0.282155  0.577943  0.661241  1
  Zr  Zr142  1  0.220047  0.731929  0.683901  1
  Zr  Zr143  1  0.183482  0.885029  0.698442  1
  Zr  Zr144  1  0.521481  0.551702  0.700574  1
  Cu  Cu145  1  0.981361  0.709889  0.322469  1
  Cu  Cu146  1  0.648338  0.546508  0.322391  1
  Cu  Cu147  1  0.752355  0.746514  0.294920  1
  Cu  Cu148  1  0.987959  0.221150  0.331182  1
  Cu  Cu149  1  0.083401  0.415868  0.292058  1
  Cu  Cu150  1  0.033442  0.566670  0.308105  1
  Cu  Cu151  1  0.461762  0.425712  0.278522  1
  Cu  Cu152  1  0.428237  0.569789  0.293993  1
  Cu  Cu153  1  0.374441  0.729503  0.310911  1
  Cu  Cu154  1  0.653601  0.054139  0.329849  1
  Cu  Cu155  1  0.749725  0.252011  0.290920  1
  Cu  Cu156  1  0.694402  0.398411  0.304685  1
  Cu  Cu157  1  0.085044  0.914384  0.294163  1
  Cu  Cu158  1  0.048038  0.056550  0.308627  1
  Cu  Cu159  1  0.317996  0.883784  0.328300  1
  Cu  Cu160  1  0.417795  0.082725  0.294159  1
  Cu  Cu161  1  0.377497  0.222435  0.308053  1
  Cu  Cu162  1  0.715954  0.890403  0.308550  1
  Cu  Cu163  1  0.846861  0.678207  0.384116  1
  Cu  Cu164  1  0.515845  0.513643  0.385621  1
  Cu  Cu165  1  0.604039  0.714308  0.344451  1
  Cu  Cu166  1  0.840904  0.185863  0.381744  1
  Cu  Cu167  1  0.948761  0.373396  0.347358  1
  Cu  Cu168  1  0.893500  0.525772  0.365788  1
  Cu  Cu169  1  0.324631  0.388188  0.329920  1
  Cu  Cu170  1  0.277341  0.543067  0.346717  1
  Cu  Cu171  1  0.230561  0.688452  0.365048  1
  Cu  Cu172  1  0.515067  0.013158  0.385569  1
  Cu  Cu173  1  0.610279  0.206616  0.346477  1
  Cu  Cu174  1  0.552848  0.358117  0.366005  1
  Cu  Cu175  1  0.933844  0.880222  0.343606  1
  Cu  Cu176  1  0.883434  0.024621  0.362449  1
  Cu  Cu177  1  0.179931  0.845960  0.385926  1
  Cu  Cu178  1  0.268791  0.043281  0.343792  1
  Cu  Cu179  1  0.215757  0.191302  0.363598  1
  Cu  Cu180  1  0.555843  0.856868  0.363908  1
  Cu  Cu181  1  0.693506  0.645052  0.439192  1
  Cu  Cu182  1  0.366001  0.477142  0.443844  1
  Cu  Cu183  1  0.462853  0.669999  0.403293  1
  Cu  Cu184  1  0.695382  0.145838  0.441800  1
  Cu  Cu185  1  0.789418  0.337199  0.402137  1
  Cu  Cu186  1  0.737210  0.489737  0.418439  1
  Cu  Cu187  1  0.175635  0.351303  0.382603  1
  Cu  Cu188  1  0.120939  0.505129  0.402179  1
  Cu  Cu189  1  0.072998  0.654972  0.418607  1
  Cu  Cu190  1  0.362575  0.977470  0.438907  1
  Cu  Cu191  1  0.459076  0.169595  0.405822  1
  Cu  Cu192  1  0.409670  0.318813  0.420902  1
  Cu  Cu193  1  0.799606  0.836438  0.403477  1
  Cu  Cu194  1  0.744487  0.985670  0.419745  1
  Cu  Cu195  1  0.026600  0.811023  0.436854  1
  Cu  Cu196  1  0.128236  1.002718  0.405032  1
  Cu  Cu197  1  0.081876  0.150441  0.420892  1
  Cu  Cu198  1  0.406793  0.821321  0.419630  1
  Cu  Cu199  1  0.548724  0.605493  0.496083  1
  Cu  Cu200  1  0.216090  0.438881  0.494321  1
  Cu  Cu201  1  0.317515  0.629808  0.461228  1
  Cu  Cu202  1  0.554178  0.102608  0.497745  1
  Cu  Cu203  1  0.654191  0.295459  0.459280  1
  Cu  Cu204  1  0.590281  0.452571  0.477522  1
  Cu  Cu205  1  0.029160  0.312692  0.443568  1
  Cu  Cu206  1  0.985342  0.463353  0.460386  1
  Cu  Cu207  1  0.930701  0.617062  0.478181  1
  Cu  Cu208  1  0.221325  0.936553  0.498063  1
  Cu  Cu209  1  0.313952  0.131657  0.456104  1
  Cu  Cu210  1  0.254778  0.286675  0.476022  1
  Cu  Cu211  1  0.651938  0.796518  0.460047  1
  Cu  Cu212  1  0.597600  0.948699  0.478652  1
  Cu  Cu213  1  0.882950  0.771349  0.496019  1
  Cu  Cu214  1  0.979215  0.966800  0.456155  1
  Cu  Cu215  1  0.925816  0.117612  0.475222  1
  Cu  Cu216  1  0.265134  0.782238  0.478944  1
  Cu  Cu217  1  0.401868  0.568925  0.556585  1
  Cu  Cu218  1  0.069112  0.402549  0.556523  1
  Cu  Cu219  1  0.160767  0.597812  0.514301  1
  Cu  Cu220  1  0.398163  0.070494  0.550675  1
  Cu  Cu221  1  0.502040  0.260190  0.518792  1
  Cu  Cu222  1  0.450030  0.408794  0.534759  1
  Cu  Cu223  1  0.880518  0.273513  0.493547  1
  Cu  Cu224  1  0.828519  0.431096  0.515647  1
  Cu  Cu225  1  0.781483  0.576427  0.532507  1
  Cu  Cu226  1  0.066418  0.903517  0.551708  1
  Cu  Cu227  1  0.168490  0.093370  0.517499  1
  Cu  Cu228  1  0.121024  0.241830  0.534107  1
  Cu  Cu229  1  0.498274  0.761102  0.515082  1
  Cu  Cu230  1  0.446163  0.912939  0.531317  1
  Cu  Cu231  1  0.733721  0.735658  0.555189  1
  Cu  Cu232  1  0.833680  0.927311  0.515629  1
  Cu  Cu233  1  0.785352  0.075977  0.532577  1
  Cu  Cu234  1  0.113054  0.745873  0.530858  1
  Cu  Cu235  1  0.255873  0.531562  0.605195  1
  Cu  Cu236  1  0.925167  0.360426  0.606035  1
  Cu  Cu237  1  0.025234  0.555033  0.572956  1
  Cu  Cu238  1  0.263091  0.028205  0.610345  1
  Cu  Cu239  1  0.355853  0.219765  0.568393  1
  Cu  Cu240  1  0.295542  0.379871  0.588478  1
  Cu  Cu241  1  0.731253  0.237507  0.553461  1
  Cu  Cu242  1  0.691268  0.387352  0.571278  1
  Cu  Cu243  1  0.632220  0.542846  0.589909  1
  Cu  Cu244  1  0.925217  0.861572  0.607156  1
  Cu  Cu245  1  0.020127  0.054508  0.569180  1
  Cu  Cu246  1  0.968185  0.211323  0.588894  1
  Cu  Cu247  1  0.359821  0.720683  0.573343  1
  Cu  Cu248  1  0.305210  0.874481  0.590979  1
  Cu  Cu249  1  0.590312  0.698445  0.605910  1
  Cu  Cu250  1  0.692817  0.886363  0.573476  1
  Cu  Cu251  1  0.643351  0.041436  0.591952  1
  Cu  Cu252  1  0.968475  0.708199  0.590500  1
  Cu  Cu253  1  0.112864  0.499342  0.672798  1
  Cu  Cu254  1  0.769884  0.329521  0.665990  1
  Cu  Cu255  1  0.866770  0.523121  0.629872  1
  Cu  Cu256  1  0.110178  0.998749  0.669646  1
  Cu  Cu257  1  0.210868  0.183469  0.629791  1
  Cu  Cu258  1  0.166052  0.331016  0.647435  1
  Cu  Cu259  1  0.594939  0.190665  0.609320  1
  Cu  Cu260  1  0.540246  0.354198  0.631298  1
  Cu  Cu261  1  0.496962  0.497297  0.647837  1
  Cu  Cu262  1  0.780676  0.832712  0.672405  1
  Cu  Cu263  1  0.870029  0.021760  0.626903  1
  Cu  Cu264  1  0.828588  0.166358  0.645441  1
  Cu  Cu265  1  0.201270  0.689900  0.626974  1
  Cu  Cu266  1  0.154726  0.832829  0.644156  1
  Cu  Cu267  1  0.444393  0.667748  0.672911  1
  Cu  Cu268  1  0.535700  0.855808  0.626399  1
  Cu  Cu269  1  0.485270  1.001938  0.644795  1
  Cu  Cu270  1  0.824579  0.663631  0.646789  1
  Cu  Cu271  1  0.981691  0.446931  0.715198  1
  Cu  Cu272  1  0.650776  0.281253  0.717154  1
  Cu  Cu273  1  0.729182  0.478032  0.681449  1
  Cu  Cu274  1  0.967071  0.948427  0.713232  1
  Cu  Cu275  1  0.062987  0.140363  0.681334  1
  Cu  Cu276  1  0.018747  0.309483  0.701255  1
  Cu  Cu277  1  0.441136  0.162331  0.662348  1
  Cu  Cu278  1  0.395394  0.310557  0.679193  1
  Cu  Cu279  1  0.337506  0.480491  0.699303  1
  Cu  Cu280  1  0.635647  0.782726  0.713501  1
  Cu  Cu281  1  0.743215  0.971173  0.687054  1
  Cu  Cu282  1  0.686522  0.141380  0.703483  1
  Cu  Cu283  1  0.074809  0.637720  0.686385  1
  Cu  Cu284  1  0.001089  0.812384  0.699774  1
  Cu  Cu285  1  0.301238  0.616817  0.713374  1
  Cu  Cu286  1  0.407327  0.808333  0.686501  1
  Cu  Cu287  1  0.349731  0.964743  0.699161  1
  Cu  Cu288  1  0.671014  0.645900  0.699282  1
