# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54511689
_cell_length_b   22.63741184
_cell_length_c   47.04861061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.99687294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr192 Cu96'
_cell_volume   12144.7360789
_cell_formula_units_Z   96
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  0.029065  0.526772  0.303171  1
  Zr  Zr2  1  0.408483  0.538058  0.287038  1
  Zr  Zr3  1  0.654161  0.514751  0.319993  1
  Zr  Zr4  1  0.029065  0.026772  0.303171  1
  Zr  Zr5  1  0.408483  0.038058  0.287038  1
  Zr  Zr6  1  0.654161  0.014751  0.319993  1
  Zr  Zr7  1  0.874768  0.424452  0.302158  1
  Zr  Zr8  1  0.248018  0.435864  0.285668  1
  Zr  Zr9  1  0.488657  0.415049  0.319334  1
  Zr  Zr10  1  0.874768  0.924452  0.302158  1
  Zr  Zr11  1  0.248018  0.935864  0.285668  1
  Zr  Zr12  1  0.488657  0.915049  0.319334  1
  Zr  Zr13  1  0.908483  0.788058  0.287038  1
  Zr  Zr14  1  0.154161  0.764751  0.319993  1
  Zr  Zr15  1  0.529065  0.776772  0.303171  1
  Zr  Zr16  1  0.908483  0.288058  0.287038  1
  Zr  Zr17  1  0.154161  0.264751  0.319993  1
  Zr  Zr18  1  0.529065  0.276772  0.303171  1
  Zr  Zr19  1  0.988657  0.665049  0.319334  1
  Zr  Zr20  1  0.374768  0.674452  0.302158  1
  Zr  Zr21  1  0.748018  0.685864  0.285668  1
  Zr  Zr22  1  0.988657  0.165049  0.319334  1
  Zr  Zr23  1  0.374768  0.174452  0.302158  1
  Zr  Zr24  1  0.748018  0.185864  0.285668  1
  Zr  Zr25  1  0.887874  0.499502  0.359688  1
  Zr  Zr26  1  0.272533  0.508665  0.341500  1
  Zr  Zr27  1  0.507569  0.487030  0.377239  1
  Zr  Zr28  1  0.887874  0.999502  0.359688  1
  Zr  Zr29  1  0.272533  0.008665  0.341500  1
  Zr  Zr30  1  0.507569  0.987030  0.377239  1
  Zr  Zr31  1  0.731801  0.395175  0.357310  1
  Zr  Zr32  1  0.109509  0.407814  0.340015  1
  Zr  Zr33  1  0.345700  0.384842  0.374580  1
  Zr  Zr34  1  0.731801  0.895175  0.357310  1
  Zr  Zr35  1  0.109509  0.907814  0.340015  1
  Zr  Zr36  1  0.345700  0.884842  0.374580  1
  Zr  Zr37  1  0.772533  0.758665  0.341500  1
  Zr  Zr38  1  0.007569  0.737030  0.377239  1
  Zr  Zr39  1  0.387874  0.749502  0.359688  1
  Zr  Zr40  1  0.772533  0.258665  0.341500  1
  Zr  Zr41  1  0.007569  0.237030  0.377239  1
  Zr  Zr42  1  0.387874  0.249502  0.359688  1
  Zr  Zr43  1  0.845700  0.634842  0.374580  1
  Zr  Zr44  1  0.231801  0.645175  0.357310  1
  Zr  Zr45  1  0.609509  0.657814  0.340015  1
  Zr  Zr46  1  0.845700  0.134842  0.374580  1
  Zr  Zr47  1  0.231801  0.145175  0.357310  1
  Zr  Zr48  1  0.609509  0.157814  0.340015  1
  Zr  Zr49  1  0.741175  0.469593  0.414877  1
  Zr  Zr50  1  0.125713  0.480119  0.396870  1
  Zr  Zr51  1  0.362123  0.457431  0.433303  1
  Zr  Zr52  1  0.741175  0.969593  0.414877  1
  Zr  Zr53  1  0.125713  0.980119  0.396870  1
  Zr  Zr54  1  0.362123  0.957431  0.433303  1
  Zr  Zr55  1  0.583172  0.366404  0.412562  1
  Zr  Zr56  1  0.963857  0.377992  0.394451  1
  Zr  Zr57  1  0.198863  0.356925  0.430643  1
  Zr  Zr58  1  0.583172  0.866404  0.412562  1
  Zr  Zr59  1  0.963857  0.877992  0.394451  1
  Zr  Zr60  1  0.198863  0.856925  0.430643  1
  Zr  Zr61  1  0.625713  0.730119  0.396870  1
  Zr  Zr62  1  0.862123  0.707431  0.433303  1
  Zr  Zr63  1  0.241175  0.719593  0.414877  1
  Zr  Zr64  1  0.625713  0.230119  0.396870  1
  Zr  Zr65  1  0.862123  0.207431  0.433303  1
  Zr  Zr66  1  0.241175  0.219593  0.414877  1
  Zr  Zr67  1  0.698863  0.606925  0.430643  1
  Zr  Zr68  1  0.083172  0.616404  0.412562  1
  Zr  Zr69  1  0.463857  0.627992  0.394451  1
  Zr  Zr70  1  0.698863  0.106925  0.430643  1
  Zr  Zr71  1  0.083172  0.116404  0.412562  1
  Zr  Zr72  1  0.463857  0.127992  0.394451  1
  Zr  Zr73  1  0.597172  0.441158  0.470747  1
  Zr  Zr74  1  0.981586  0.449878  0.452674  1
  Zr  Zr75  1  0.216502  0.429410  0.489087  1
  Zr  Zr76  1  0.597172  0.941158  0.470747  1
  Zr  Zr77  1  0.981586  0.949878  0.452674  1
  Zr  Zr78  1  0.216502  0.929410  0.489087  1
  Zr  Zr79  1  0.439177  0.337853  0.468998  1
  Zr  Zr80  1  0.818022  0.349418  0.450528  1
  Zr  Zr81  1  0.055122  0.327693  0.486897  1
  Zr  Zr82  1  0.439177  0.837853  0.468998  1
  Zr  Zr83  1  0.818022  0.849418  0.450528  1
  Zr  Zr84  1  0.055122  0.827693  0.486897  1
  Zr  Zr85  1  0.481586  0.699878  0.452674  1
  Zr  Zr86  1  0.716502  0.679410  0.489087  1
  Zr  Zr87  1  0.097172  0.691158  0.470747  1
  Zr  Zr88  1  0.481586  0.199878  0.452674  1
  Zr  Zr89  1  0.716502  0.179410  0.489087  1
  Zr  Zr90  1  0.097172  0.191158  0.470747  1
  Zr  Zr91  1  0.555122  0.577693  0.486897  1
  Zr  Zr92  1  0.939177  0.587853  0.468998  1
  Zr  Zr93  1  0.318022  0.599418  0.450528  1
  Zr  Zr94  1  0.555122  0.077693  0.486897  1
  Zr  Zr95  1  0.939177  0.087853  0.468998  1
  Zr  Zr96  1  0.318022  0.099418  0.450528  1
  Zr  Zr97  1  0.450739  0.411781  0.526227  1
  Zr  Zr98  1  0.834794  0.421941  0.508329  1
  Zr  Zr99  1  0.071894  0.400216  0.544698  1
  Zr  Zr100  1  0.450739  0.911781  0.526227  1
  Zr  Zr101  1  0.834794  0.921941  0.508329  1
  Zr  Zr102  1  0.071894  0.900216  0.544698  1
  Zr  Zr103  1  0.292744  0.308476  0.524478  1
  Zr  Zr104  1  0.673414  0.320224  0.506138  1
  Zr  Zr105  1  0.908330  0.299756  0.542551  1
  Zr  Zr106  1  0.292744  0.808476  0.524478  1
  Zr  Zr107  1  0.673414  0.820224  0.506138  1
  Zr  Zr108  1  0.908330  0.799756  0.542551  1
  Zr  Zr109  1  0.334794  0.671941  0.508329  1
  Zr  Zr110  1  0.571894  0.650216  0.544698  1
  Zr  Zr111  1  0.950739  0.661781  0.526227  1
  Zr  Zr112  1  0.334794  0.171941  0.508329  1
  Zr  Zr113  1  0.571894  0.150216  0.544698  1
  Zr  Zr114  1  0.950739  0.161781  0.526227  1
  Zr  Zr115  1  0.408330  0.549756  0.542551  1
  Zr  Zr116  1  0.792744  0.558476  0.524478  1
  Zr  Zr117  1  0.173414  0.570224  0.506138  1
  Zr  Zr118  1  0.408330  0.049756  0.542551  1
  Zr  Zr119  1  0.792744  0.058476  0.524478  1
  Zr  Zr120  1  0.173414  0.070224  0.506138  1
  Zr  Zr121  1  0.306744  0.383230  0.582663  1
  Zr  Zr122  1  0.691054  0.392709  0.564582  1
  Zr  Zr123  1  0.926059  0.371642  0.600774  1
  Zr  Zr124  1  0.306744  0.883230  0.582663  1
  Zr  Zr125  1  0.691054  0.892709  0.564582  1
  Zr  Zr126  1  0.926059  0.871642  0.600774  1
  Zr  Zr127  1  0.148741  0.280041  0.580348  1
  Zr  Zr128  1  0.527794  0.292203  0.561923  1
  Zr  Zr129  1  0.764203  0.269515  0.598355  1
  Zr  Zr130  1  0.148741  0.780041  0.580348  1
  Zr  Zr131  1  0.527794  0.792203  0.561923  1
  Zr  Zr132  1  0.764203  0.769515  0.598355  1
  Zr  Zr133  1  0.191054  0.642709  0.564582  1
  Zr  Zr134  1  0.426059  0.621642  0.600774  1
  Zr  Zr135  1  0.806744  0.633230  0.582663  1
  Zr  Zr136  1  0.191054  0.142709  0.564582  1
  Zr  Zr137  1  0.426059  0.121642  0.600774  1
  Zr  Zr138  1  0.806744  0.133230  0.582663  1
  Zr  Zr139  1  0.264203  0.519515  0.598355  1
  Zr  Zr140  1  0.648741  0.530041  0.580348  1
  Zr  Zr141  1  0.027794  0.542203  0.561923  1
  Zr  Zr142  1  0.264203  0.019515  0.598355  1
  Zr  Zr143  1  0.648741  0.030041  0.580348  1
  Zr  Zr144  1  0.027794  0.042203  0.561923  1
  Zr  Zr145  1  0.158115  0.354459  0.637915  1
  Zr  Zr146  1  0.544216  0.364792  0.620645  1
  Zr  Zr147  1  0.780408  0.341820  0.655210  1
  Zr  Zr148  1  0.158115  0.854459  0.637915  1
  Zr  Zr149  1  0.544216  0.864792  0.620645  1
  Zr  Zr150  1  0.780408  0.841820  0.655210  1
  Zr  Zr151  1  0.002042  0.250132  0.635537  1
  Zr  Zr152  1  0.382347  0.262604  0.617986  1
  Zr  Zr153  1  0.617383  0.240969  0.653726  1
  Zr  Zr154  1  0.002042  0.750132  0.635537  1
  Zr  Zr155  1  0.382347  0.762604  0.617986  1
  Zr  Zr156  1  0.617383  0.740969  0.653726  1
  Zr  Zr157  1  0.044216  0.614792  0.620645  1
  Zr  Zr158  1  0.280408  0.591820  0.655210  1
  Zr  Zr159  1  0.658115  0.604459  0.637915  1
  Zr  Zr160  1  0.044216  0.114792  0.620645  1
  Zr  Zr161  1  0.280408  0.091820  0.655210  1
  Zr  Zr162  1  0.658115  0.104459  0.637915  1
  Zr  Zr163  1  0.117383  0.490969  0.653726  1
  Zr  Zr164  1  0.502042  0.500132  0.635537  1
  Zr  Zr165  1  0.882347  0.512604  0.617986  1
  Zr  Zr166  1  0.117383  0.990969  0.653726  1
  Zr  Zr167  1  0.502042  1.000132  0.635537  1
  Zr  Zr168  1  0.882347  0.012604  0.617986  1
  Zr  Zr169  1  0.015148  0.325182  0.693067  1
  Zr  Zr170  1  0.401259  0.334585  0.675891  1
  Zr  Zr171  1  0.641899  0.313770  0.709557  1
  Zr  Zr172  1  0.015148  0.825182  0.693067  1
  Zr  Zr173  1  0.401259  0.834585  0.675891  1
  Zr  Zr174  1  0.641899  0.813770  0.709557  1
  Zr  Zr175  1  0.860851  0.222862  0.692054  1
  Zr  Zr176  1  0.235755  0.234883  0.675232  1
  Zr  Zr177  1  0.481434  0.211576  0.708187  1
  Zr  Zr178  1  0.860851  0.722862  0.692054  1
  Zr  Zr179  1  0.235755  0.734883  0.675232  1
  Zr  Zr180  1  0.481434  0.711576  0.708187  1
  Zr  Zr181  1  0.901259  0.584585  0.675891  1
  Zr  Zr182  1  0.141899  0.563770  0.709557  1
  Zr  Zr183  1  0.515148  0.575182  0.693067  1
  Zr  Zr184  1  0.901259  0.084585  0.675891  1
  Zr  Zr185  1  0.141899  0.063770  0.709557  1
  Zr  Zr186  1  0.515148  0.075182  0.693067  1
  Zr  Zr187  1  0.981434  0.461576  0.708187  1
  Zr  Zr188  1  0.360851  0.472862  0.692054  1
  Zr  Zr189  1  0.735755  0.484883  0.675232  1
  Zr  Zr190  1  0.981434  0.961576  0.708187  1
  Zr  Zr191  1  0.360851  0.972862  0.692054  1
  Zr  Zr192  1  0.735755  0.984883  0.675232  1
  Cu  Cu193  1  0.812899  0.589316  0.319227  1
  Cu  Cu194  1  0.200285  0.600325  0.304441  1
  Cu  Cu195  1  0.584276  0.612707  0.288667  1
  Cu  Cu196  1  0.812899  0.089316  0.319227  1
  Cu  Cu197  1  0.200285  0.100325  0.304441  1
  Cu  Cu198  1  0.584276  0.112707  0.288667  1
  Cu  Cu199  1  0.084276  0.362707  0.288667  1
  Cu  Cu200  1  0.312899  0.339316  0.319227  1
  Cu  Cu201  1  0.700285  0.350325  0.304441  1
  Cu  Cu202  1  0.084276  0.862707  0.288667  1
  Cu  Cu203  1  0.312899  0.839316  0.319227  1
  Cu  Cu204  1  0.700285  0.850325  0.304441  1
  Cu  Cu205  1  0.672072  0.561745  0.374990  1
  Cu  Cu206  1  0.060962  0.572740  0.356735  1
  Cu  Cu207  1  0.449405  0.581267  0.339470  1
  Cu  Cu208  1  0.672072  0.061745  0.374990  1
  Cu  Cu209  1  0.060962  0.072740  0.356735  1
  Cu  Cu210  1  0.449405  0.081267  0.339470  1
  Cu  Cu211  1  0.949405  0.331267  0.339470  1
  Cu  Cu212  1  0.172072  0.311745  0.374990  1
  Cu  Cu213  1  0.560962  0.322740  0.356735  1
  Cu  Cu214  1  0.949405  0.831267  0.339470  1
  Cu  Cu215  1  0.172072  0.811745  0.374990  1
  Cu  Cu216  1  0.560962  0.822740  0.356735  1
  Cu  Cu217  1  0.525408  0.533682  0.431777  1
  Cu  Cu218  1  0.911874  0.543063  0.415053  1
  Cu  Cu219  1  0.299482  0.552479  0.396782  1
  Cu  Cu220  1  0.525408  0.033682  0.431777  1
  Cu  Cu221  1  0.911874  0.043063  0.415053  1
  Cu  Cu222  1  0.299482  0.052479  0.396782  1
  Cu  Cu223  1  0.799482  0.302479  0.396782  1
  Cu  Cu224  1  0.025408  0.283682  0.431777  1
  Cu  Cu225  1  0.411874  0.293063  0.415053  1
  Cu  Cu226  1  0.799482  0.802479  0.396782  1
  Cu  Cu227  1  0.025408  0.783682  0.431777  1
  Cu  Cu228  1  0.411874  0.793063  0.415053  1
  Cu  Cu229  1  0.382054  0.504729  0.487468  1
  Cu  Cu230  1  0.769372  0.514509  0.469142  1
  Cu  Cu231  1  0.153547  0.523706  0.451716  1
  Cu  Cu232  1  0.382054  0.004729  0.487468  1
  Cu  Cu233  1  0.769372  0.014509  0.469142  1
  Cu  Cu234  1  0.153547  0.023706  0.451716  1
  Cu  Cu235  1  0.653547  0.273706  0.451716  1
  Cu  Cu236  1  0.882054  0.254729  0.487468  1
  Cu  Cu237  1  0.269372  0.264509  0.469142  1
  Cu  Cu238  1  0.653547  0.773706  0.451716  1
  Cu  Cu239  1  0.882054  0.754729  0.487468  1
  Cu  Cu240  1  0.269372  0.764509  0.469142  1
  Cu  Cu241  1  0.236370  0.475928  0.543510  1
  Cu  Cu242  1  0.620544  0.485125  0.526083  1
  Cu  Cu243  1  0.007862  0.494905  0.507757  1
  Cu  Cu244  1  0.236370  0.975928  0.543510  1
  Cu  Cu245  1  0.620544  0.985125  0.526083  1
  Cu  Cu246  1  0.007862  0.994905  0.507757  1
  Cu  Cu247  1  0.507862  0.244905  0.507757  1
  Cu  Cu248  1  0.736370  0.225928  0.543510  1
  Cu  Cu249  1  0.120544  0.235125  0.526083  1
  Cu  Cu250  1  0.507862  0.744905  0.507757  1
  Cu  Cu251  1  0.736370  0.725928  0.543510  1
  Cu  Cu252  1  0.120544  0.735125  0.526083  1
  Cu  Cu253  1  0.090434  0.447155  0.598443  1
  Cu  Cu254  1  0.478043  0.456571  0.580172  1
  Cu  Cu255  1  0.864509  0.465952  0.563448  1
  Cu  Cu256  1  0.090434  0.947155  0.598443  1
  Cu  Cu257  1  0.478043  0.956571  0.580172  1
  Cu  Cu258  1  0.864509  0.965952  0.563448  1
  Cu  Cu259  1  0.364509  0.215952  0.563448  1
  Cu  Cu260  1  0.590434  0.197155  0.598443  1
  Cu  Cu261  1  0.978043  0.206571  0.580172  1
  Cu  Cu262  1  0.364509  0.715952  0.563448  1
  Cu  Cu263  1  0.590434  0.697155  0.598443  1
  Cu  Cu264  1  0.978043  0.706571  0.580172  1
  Cu  Cu265  1  0.940512  0.418367  0.655755  1
  Cu  Cu266  1  0.328954  0.426894  0.638490  1
  Cu  Cu267  1  0.717844  0.437889  0.620236  1
  Cu  Cu268  1  0.940512  0.918367  0.655755  1
  Cu  Cu269  1  0.328954  0.926894  0.638490  1
  Cu  Cu270  1  0.717844  0.937889  0.620236  1
  Cu  Cu271  1  0.217844  0.187889  0.620236  1
  Cu  Cu272  1  0.440512  0.168367  0.655755  1
  Cu  Cu273  1  0.828954  0.176894  0.638490  1
  Cu  Cu274  1  0.217844  0.687889  0.620236  1
  Cu  Cu275  1  0.440512  0.668367  0.655755  1
  Cu  Cu276  1  0.828954  0.676894  0.638490  1
  Cu  Cu277  1  0.805640  0.386927  0.706558  1
  Cu  Cu278  1  0.189631  0.399309  0.690785  1
  Cu  Cu279  1  0.577018  0.410318  0.675998  1
  Cu  Cu280  1  0.805640  0.886927  0.706558  1
  Cu  Cu281  1  0.189631  0.899309  0.690785  1
  Cu  Cu282  1  0.577018  0.910318  0.675998  1
  Cu  Cu283  1  0.077018  0.160318  0.675998  1
  Cu  Cu284  1  0.305640  0.136927  0.706558  1
  Cu  Cu285  1  0.689631  0.149309  0.690785  1
  Cu  Cu286  1  0.077018  0.660318  0.675998  1
  Cu  Cu287  1  0.305640  0.636927  0.706558  1
  Cu  Cu288  1  0.689631  0.649309  0.690785  1
