# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49556702
_cell_length_b   31.97291419
_cell_length_c   47.67606380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.42738509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr216 Cu108'
_cell_volume   14312.7853781
_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  0.191089  0.879932  0.317153  1
  Zr  Zr2  1  0.687805  0.882239  0.315732  1
  Zr  Zr3  1  0.845560  0.557428  0.287016  1
  Zr  Zr4  1  0.771814  0.217011  0.302015  1
  Zr  Zr5  1  0.359971  0.552320  0.286293  1
  Zr  Zr6  1  0.271360  0.218393  0.302129  1
  Zr  Zr7  1  0.969517  0.816606  0.311931  1
  Zr  Zr8  1  0.474534  0.816278  0.311832  1
  Zr  Zr9  1  0.650208  0.488132  0.282696  1
  Zr  Zr10  1  0.549307  0.153557  0.295593  1
  Zr  Zr11  1  0.122140  0.492413  0.282247  1
  Zr  Zr12  1  0.057501  0.154379  0.295628  1
  Zr  Zr13  1  0.023960  0.718427  0.302158  1
  Zr  Zr14  1  0.519155  0.717005  0.302003  1
  Zr  Zr15  1  0.940783  0.380143  0.317157  1
  Zr  Zr16  1  0.609928  0.052362  0.286304  1
  Zr  Zr17  1  0.438097  0.382075  0.315734  1
  Zr  Zr18  1  0.095772  0.057361  0.286991  1
  Zr  Zr19  1  0.299370  0.653043  0.295536  1
  Zr  Zr20  1  0.807371  0.654799  0.295678  1
  Zr  Zr21  1  0.223262  0.316392  0.311820  1
  Zr  Zr22  1  0.900171  0.988132  0.282701  1
  Zr  Zr23  1  0.720834  0.316506  0.311922  1
  Zr  Zr24  1  0.372426  0.992375  0.282246  1
  Zr  Zr25  1  0.445955  0.869611  0.367052  1
  Zr  Zr26  1  0.945564  0.869037  0.367325  1
  Zr  Zr27  1  0.107614  0.545718  0.334535  1
  Zr  Zr28  1  0.026715  0.208209  0.350380  1
  Zr  Zr29  1  0.608713  0.545829  0.334274  1
  Zr  Zr30  1  0.526343  0.208333  0.350324  1
  Zr  Zr31  1  0.228630  0.804255  0.359869  1
  Zr  Zr32  1  0.727812  0.804616  0.359684  1
  Zr  Zr33  1  0.892211  0.477174  0.328282  1
  Zr  Zr34  1  0.809338  0.141595  0.343648  1
  Zr  Zr35  1  0.391531  0.478536  0.329615  1
  Zr  Zr36  1  0.311088  0.141436  0.343506  1
  Zr  Zr37  1  0.276160  0.708309  0.350296  1
  Zr  Zr38  1  0.776800  0.708236  0.350391  1
  Zr  Zr39  1  0.195999  0.369604  0.367054  1
  Zr  Zr40  1  0.858578  0.045837  0.334267  1
  Zr  Zr41  1  0.695596  0.369057  0.367318  1
  Zr  Zr42  1  0.357658  0.045721  0.334530  1
  Zr  Zr43  1  0.559265  0.641608  0.343643  1
  Zr  Zr44  1  0.061198  0.641418  0.343498  1
  Zr  Zr45  1  0.478176  0.304582  0.359654  1
  Zr  Zr46  1  0.142189  0.977157  0.328271  1
  Zr  Zr47  1  0.978394  0.304299  0.359879  1
  Zr  Zr48  1  0.641557  0.978524  0.329601  1
  Zr  Zr49  1  0.701045  0.858022  0.417784  1
  Zr  Zr50  1  0.202048  0.858031  0.417607  1
  Zr  Zr51  1  0.364807  0.533425  0.384426  1
  Zr  Zr52  1  0.282898  0.195897  0.400695  1
  Zr  Zr53  1  0.863756  0.533149  0.384160  1
  Zr  Zr54  1  0.782666  0.195798  0.400611  1
  Zr  Zr55  1  0.484394  0.793195  0.410438  1
  Zr  Zr56  1  0.983455  0.793281  0.410544  1
  Zr  Zr57  1  0.146535  0.466185  0.375835  1
  Zr  Zr58  1  0.065787  0.130969  0.394268  1
  Zr  Zr59  1  0.648578  0.466099  0.375956  1
  Zr  Zr60  1  0.565045  0.130716  0.394039  1
  Zr  Zr61  1  0.532278  0.695795  0.400607  1
  Zr  Zr62  1  0.033237  0.695897  0.400687  1
  Zr  Zr63  1  0.451245  0.357982  0.417762  1
  Zr  Zr64  1  0.113748  0.033111  0.384162  1
  Zr  Zr65  1  0.951922  0.358068  0.417625  1
  Zr  Zr66  1  0.614759  0.033465  0.384402  1
  Zr  Zr67  1  0.815782  0.631042  0.394254  1
  Zr  Zr68  1  0.315064  0.630646  0.394052  1
  Zr  Zr69  1  0.733770  0.293193  0.410475  1
  Zr  Zr70  1  0.396571  0.966166  0.375822  1
  Zr  Zr71  1  0.234148  0.293293  0.410503  1
  Zr  Zr72  1  0.898491  0.966109  0.375950  1
  Zr  Zr73  1  0.957136  0.847115  0.467852  1
  Zr  Zr74  1  0.457034  0.847132  0.467871  1
  Zr  Zr75  1  0.620401  0.521171  0.434178  1
  Zr  Zr76  1  0.538554  0.184456  0.451110  1
  Zr  Zr77  1  0.120070  0.521147  0.434133  1
  Zr  Zr78  1  0.038412  0.184428  0.451088  1
  Zr  Zr79  1  0.739577  0.781773  0.461119  1
  Zr  Zr80  1  0.239811  0.781830  0.461086  1
  Zr  Zr81  1  0.402720  0.455594  0.426461  1
  Zr  Zr82  1  0.321674  0.118844  0.444569  1
  Zr  Zr83  1  0.902997  0.455529  0.426695  1
  Zr  Zr84  1  0.821001  0.118834  0.444521  1
  Zr  Zr85  1  0.788490  0.684412  0.451089  1
  Zr  Zr86  1  0.288447  0.684463  0.451104  1
  Zr  Zr87  1  0.707182  0.347123  0.467858  1
  Zr  Zr88  1  0.370085  0.021134  0.434119  1
  Zr  Zr89  1  0.207052  0.347118  0.467869  1
  Zr  Zr90  1  0.870339  0.021180  0.434179  1
  Zr  Zr91  1  0.071680  0.618845  0.444579  1
  Zr  Zr92  1  0.571011  0.618837  0.444512  1
  Zr  Zr93  1  0.989662  0.281816  0.461081  1
  Zr  Zr94  1  0.652723  0.955603  0.426459  1
  Zr  Zr95  1  0.489784  0.281792  0.461128  1
  Zr  Zr96  1  0.152934  0.955523  0.426682  1
  Zr  Zr97  1  0.212806  0.835936  0.518223  1
  Zr  Zr98  1  0.712640  0.835964  0.518202  1
  Zr  Zr99  1  0.875876  0.509821  0.484297  1
  Zr  Zr100  1  0.794154  0.173081  0.501172  1
  Zr  Zr101  1  0.375862  0.509807  0.484266  1
  Zr  Zr102  1  0.294116  0.173094  0.501121  1
  Zr  Zr103  1  0.995361  0.770471  0.511385  1
  Zr  Zr104  1  0.495375  0.770484  0.511417  1
  Zr  Zr105  1  0.658431  0.444355  0.477459  1
  Zr  Zr106  1  0.577121  0.107197  0.494561  1
  Zr  Zr107  1  0.158597  0.444328  0.477480  1
  Zr  Zr108  1  0.077083  0.107211  0.494510  1
  Zr  Zr109  1  0.044180  0.673084  0.501174  1
  Zr  Zr110  1  0.544070  0.673086  0.501118  1
  Zr  Zr111  1  0.962797  0.335941  0.518230  1
  Zr  Zr112  1  0.625904  0.009794  0.484263  1
  Zr  Zr113  1  0.462711  0.335953  0.518205  1
  Zr  Zr114  1  0.125787  0.009831  0.484294  1
  Zr  Zr115  1  0.327167  0.607205  0.494564  1
  Zr  Zr116  1  0.827057  0.607207  0.494509  1
  Zr  Zr117  1  0.245333  0.270497  0.511420  1
  Zr  Zr118  1  0.908440  0.944351  0.477453  1
  Zr  Zr119  1  0.745450  0.270461  0.511389  1
  Zr  Zr120  1  0.408526  0.944338  0.477478  1
  Zr  Zr121  1  0.468517  0.824697  0.569221  1
  Zr  Zr122  1  0.968240  0.824762  0.568988  1
  Zr  Zr123  1  0.131660  0.498518  0.534563  1
  Zr  Zr124  1  0.050236  0.161458  0.551162  1
  Zr  Zr125  1  0.631426  0.498461  0.534596  1
  Zr  Zr126  1  0.549564  0.161447  0.551113  1
  Zr  Zr127  1  0.250836  0.759120  0.561504  1
  Zr  Zr128  1  0.751167  0.759145  0.561549  1
  Zr  Zr129  1  0.914101  0.433177  0.527830  1
  Zr  Zr130  1  0.832825  0.095864  0.544595  1
  Zr  Zr131  1  0.414203  0.433159  0.527811  1
  Zr  Zr132  1  0.332683  0.095835  0.544572  1
  Zr  Zr133  1  0.300226  0.661455  0.551170  1
  Zr  Zr134  1  0.799557  0.661447  0.551103  1
  Zr  Zr135  1  0.218514  0.324688  0.569223  1
  Zr  Zr136  1  0.881576  0.998475  0.534602  1
  Zr  Zr137  1  0.718304  0.324768  0.569001  1
  Zr  Zr138  1  0.381453  0.998499  0.534554  1
  Zr  Zr139  1  0.582790  0.595828  0.544578  1
  Zr  Zr140  1  0.082747  0.595879  0.544593  1
  Zr  Zr141  1  0.501152  0.259158  0.561564  1
  Zr  Zr142  1  0.164055  0.933168  0.527824  1
  Zr  Zr143  1  1.000898  0.259112  0.561503  1
  Zr  Zr144  1  0.664185  0.933173  0.527813  1
  Zr  Zr145  1  0.724702  0.814106  0.619847  1
  Zr  Zr146  1  0.222659  0.814192  0.619727  1
  Zr  Zr147  1  0.386843  0.487097  0.585244  1
  Zr  Zr148  1  0.306192  0.149576  0.601644  1
  Zr  Zr149  1  0.887782  0.487010  0.585138  1
  Zr  Zr150  1  0.805450  0.149322  0.601414  1
  Zr  Zr151  1  0.506430  0.746866  0.611256  1
  Zr  Zr152  1  0.007481  0.747142  0.611522  1
  Zr  Zr153  1  0.170192  0.422270  0.577898  1
  Zr  Zr154  1  0.088571  0.084493  0.595071  1
  Zr  Zr155  1  0.669189  0.422260  0.578075  1
  Zr  Zr156  1  0.588339  0.084394  0.594987  1
  Zr  Zr157  1  0.556173  0.649645  0.601631  1
  Zr  Zr158  1  0.055456  0.649250  0.601429  1
  Zr  Zr159  1  0.474666  0.314125  0.619860  1
  Zr  Zr160  1  0.137468  0.987098  0.585207  1
  Zr  Zr161  1  0.972747  0.314182  0.619733  1
  Zr  Zr162  1  0.637089  0.986998  0.585179  1
  Zr  Zr163  1  0.838000  0.584395  0.594996  1
  Zr  Zr164  1  0.338959  0.584496  0.595075  1
  Zr  Zr165  1  0.757489  0.247181  0.611520  1
  Zr  Zr166  1  0.419992  0.922309  0.577920  1
  Zr  Zr167  1  0.256478  0.246826  0.611281  1
  Zr  Zr168  1  0.919315  0.922223  0.578057  1
  Zr  Zr169  1  0.979026  0.803118  0.667400  1
  Zr  Zr170  1  0.479706  0.801756  0.666067  1
  Zr  Zr171  1  0.642608  0.476037  0.635813  1
  Zr  Zr172  1  0.560149  0.138855  0.652177  1
  Zr  Zr173  1  0.143425  0.475675  0.635999  1
  Zr  Zr174  1  0.061899  0.138697  0.652034  1
  Zr  Zr175  1  0.763623  0.734574  0.661147  1
  Zr  Zr176  1  0.262524  0.734462  0.661408  1
  Zr  Zr177  1  0.425282  0.410681  0.628631  1
  Zr  Zr178  1  0.344895  0.071958  0.645358  1
  Zr  Zr179  1  0.925673  0.411255  0.628357  1
  Zr  Zr180  1  0.844522  0.072083  0.645302  1
  Zr  Zr181  1  0.810040  0.638874  0.652184  1
  Zr  Zr182  1  0.311972  0.638684  0.652039  1
  Zr  Zr183  1  0.729048  0.303135  0.667411  1
  Zr  Zr184  1  0.393061  0.975709  0.636028  1
  Zr  Zr185  1  0.229680  0.301767  0.666082  1
  Zr  Zr186  1  0.892843  0.975993  0.635803  1
  Zr  Zr187  1  0.094438  0.572055  0.645291  1
  Zr  Zr188  1  0.595077  0.571983  0.645386  1
  Zr  Zr189  1  0.012659  0.234454  0.661415  1
  Zr  Zr190  1  0.675238  0.910688  0.628629  1
  Zr  Zr191  1  0.513579  0.234571  0.661152  1
  Zr  Zr192  1  0.175641  0.911234  0.628365  1
  Zr  Zr193  1  0.221029  0.792160  0.712986  1
  Zr  Zr194  1  0.749097  0.787878  0.713435  1
  Zr  Zr195  1  0.901720  0.463685  0.683751  1
  Zr  Zr196  1  0.813736  0.125913  0.700054  1
  Zr  Zr197  1  0.396703  0.464013  0.683851  1
  Zr  Zr198  1  0.321931  0.126734  0.700089  1
  Zr  Zr199  1  0.025677  0.722864  0.708666  1
  Zr  Zr200  1  0.511266  0.727972  0.709389  1
  Zr  Zr201  1  0.680148  0.400359  0.678529  1
  Zr  Zr202  1  0.599877  0.061898  0.693553  1
  Zr  Zr203  1  0.183432  0.398052  0.679950  1
  Zr  Zr204  1  0.099423  0.063280  0.693667  1
  Zr  Zr205  1  0.063866  0.625492  0.700004  1
  Zr  Zr206  1  0.571867  0.627248  0.700146  1
  Zr  Zr207  1  0.971066  0.292160  0.712981  1
  Zr  Zr208  1  0.647975  0.963899  0.683862  1
  Zr  Zr209  1  0.498811  0.287916  0.713436  1
  Zr  Zr210  1  0.150403  0.963786  0.683761  1
  Zr  Zr211  1  0.352082  0.563286  0.693679  1
  Zr  Zr212  1  0.847277  0.561865  0.693524  1
  Zr  Zr213  1  0.261309  0.227930  0.709378  1
  Zr  Zr214  1  0.930455  0.900148  0.678525  1
  Zr  Zr215  1  0.775466  0.222930  0.708691  1
  Zr  Zr216  1  0.433140  0.898216  0.679948  1
  Cu  Cu217  1  0.080727  0.602253  0.288460  1
  Cu  Cu218  1  0.574979  0.607412  0.288882  1
  Cu  Cu219  1  0.995833  0.267693  0.304759  1
  Cu  Cu220  1  0.649584  0.955964  0.277083  1
  Cu  Cu221  1  0.497637  0.266924  0.304518  1
  Cu  Cu222  1  0.418811  0.926534  0.320285  1
  Cu  Cu223  1  0.246663  0.768451  0.304734  1
  Cu  Cu224  1  0.746740  0.766253  0.304549  1
  Cu  Cu225  1  0.169050  0.426573  0.320290  1
  Cu  Cu226  1  0.824679  0.107400  0.288886  1
  Cu  Cu227  1  0.399369  0.455996  0.277121  1
  Cu  Cu228  1  0.331148  0.102322  0.288479  1
  Cu  Cu229  1  0.335085  0.593044  0.338960  1
  Cu  Cu230  1  0.834109  0.594603  0.339707  1
  Cu  Cu231  1  0.252480  0.256383  0.355600  1
  Cu  Cu232  1  0.915423  0.924652  0.321050  1
  Cu  Cu233  1  0.752420  0.256175  0.355394  1
  Cu  Cu234  1  0.673026  0.916389  0.371900  1
  Cu  Cu235  1  0.502750  0.756067  0.355366  1
  Cu  Cu236  1  1.001939  0.756491  0.355621  1
  Cu  Cu237  1  0.423001  0.416396  0.371890  1
  Cu  Cu238  1  0.084090  0.094477  0.339737  1
  Cu  Cu239  1  0.665174  0.424671  0.321046  1
  Cu  Cu240  1  0.584892  0.093202  0.338910  1
  Cu  Cu241  1  0.590397  0.582515  0.389587  1
  Cu  Cu242  1  0.089093  0.582292  0.389678  1
  Cu  Cu243  1  0.508292  0.244611  0.405993  1
  Cu  Cu244  1  0.171405  0.916718  0.371944  1
  Cu  Cu245  1  0.008381  0.244584  0.405980  1
  Cu  Cu246  1  0.926996  0.906768  0.422214  1
  Cu  Cu247  1  0.758394  0.744414  0.405969  1
  Cu  Cu248  1  0.258219  0.744762  0.406006  1
  Cu  Cu249  1  0.676983  0.406795  0.422222  1
  Cu  Cu250  1  0.339097  0.082296  0.389675  1
  Cu  Cu251  1  0.921498  0.416726  0.371969  1
  Cu  Cu252  1  0.840355  0.082507  0.389590  1
  Cu  Cu253  1  0.845699  0.570276  0.439170  1
  Cu  Cu254  1  0.345672  0.570158  0.439235  1
  Cu  Cu255  1  0.763971  0.233331  0.455816  1
  Cu  Cu256  1  0.427302  0.906939  0.422214  1
  Cu  Cu257  1  0.263991  0.233376  0.455847  1
  Cu  Cu258  1  0.182694  0.895917  0.472574  1
  Cu  Cu259  1  0.013937  0.733374  0.455851  1
  Cu  Cu260  1  0.513983  0.733316  0.455807  1
  Cu  Cu261  1  0.932712  0.395930  0.472590  1
  Cu  Cu262  1  0.595638  0.070172  0.439228  1
  Cu  Cu263  1  0.177384  0.406904  0.422211  1
  Cu  Cu264  1  0.095701  0.070251  0.439170  1
  Cu  Cu265  1  0.101530  0.558466  0.489505  1
  Cu  Cu266  1  0.601521  0.558441  0.489497  1
  Cu  Cu267  1  0.019745  0.221819  0.506163  1
  Cu  Cu268  1  0.682617  0.896067  0.472545  1
  Cu  Cu269  1  0.519709  0.221868  0.506208  1
  Cu  Cu270  1  0.438572  0.884251  0.523149  1
  Cu  Cu271  1  0.269716  0.721851  0.506185  1
  Cu  Cu272  1  0.769707  0.721826  0.506177  1
  Cu  Cu273  1  0.188620  0.384225  0.523138  1
  Cu  Cu274  1  0.851492  0.058473  0.489520  1
  Cu  Cu275  1  0.432665  0.396040  0.472533  1
  Cu  Cu276  1  0.351528  0.058424  0.489475  1
  Cu  Cu277  1  0.357254  0.546975  0.539876  1
  Cu  Cu278  1  0.857300  0.546917  0.539832  1
  Cu  Cu279  1  0.275599  0.210120  0.556454  1
  Cu  Cu280  1  0.938525  0.884361  0.523092  1
  Cu  Cu281  1  0.775536  0.210040  0.556513  1
  Cu  Cu282  1  0.693853  0.873388  0.573471  1
  Cu  Cu283  1  0.525566  0.710134  0.556447  1
  Cu  Cu284  1  0.025538  0.710015  0.556513  1
  Cu  Cu285  1  0.443935  0.373353  0.573468  1
  Cu  Cu286  1  0.107266  0.046960  0.539866  1
  Cu  Cu287  1  0.688543  0.384375  0.523108  1
  Cu  Cu288  1  0.607246  0.046916  0.539835  1
  Cu  Cu289  1  0.613018  0.535529  0.589676  1
  Cu  Cu290  1  0.112843  0.535878  0.589714  1
  Cu  Cu291  1  0.532140  0.197996  0.606008  1
  Cu  Cu292  1  0.194254  0.873497  0.573460  1
  Cu  Cu293  1  0.030882  0.197784  0.606092  1
  Cu  Cu294  1  0.949739  0.863566  0.623713  1
  Cu  Cu295  1  0.782144  0.697999  0.606005  1
  Cu  Cu296  1  0.280840  0.697777  0.606095  1
  Cu  Cu297  1  0.699832  0.363573  0.623739  1
  Cu  Cu298  1  0.362945  0.035681  0.589689  1
  Cu  Cu299  1  0.944241  0.373523  0.573469  1
  Cu  Cu300  1  0.862856  0.035707  0.589702  1
  Cu  Cu301  1  0.869298  0.523800  0.640062  1
  Cu  Cu302  1  0.368487  0.524225  0.640316  1
  Cu  Cu303  1  0.787147  0.185814  0.655945  1
  Cu  Cu304  1  0.448236  0.863895  0.623792  1
  Cu  Cu305  1  0.286345  0.187090  0.656773  1
  Cu  Cu306  1  0.206064  0.855621  0.674636  1
  Cu  Cu307  1  0.037128  0.685689  0.655975  1
  Cu  Cu308  1  0.536152  0.687247  0.656723  1
  Cu  Cu309  1  0.955814  0.355640  0.674632  1
  Cu  Cu310  1  0.618757  0.023908  0.640082  1
  Cu  Cu311  1  0.198211  0.363902  0.623783  1
  Cu  Cu312  1  0.118817  0.024116  0.640288  1
  Cu  Cu313  1  0.124497  0.514039  0.691133  1
  Cu  Cu314  1  0.624574  0.511840  0.690948  1
  Cu  Cu315  1  0.046558  0.172891  0.706796  1
  Cu  Cu316  1  0.702187  0.853718  0.675392  1
  Cu  Cu317  1  0.540089  0.177969  0.707203  1
  Cu  Cu318  1  0.471868  0.824295  0.718561  1
  Cu  Cu319  1  0.296258  0.672879  0.706800  1
  Cu  Cu320  1  0.790510  0.678038  0.707223  1
  Cu  Cu321  1  0.221653  0.324328  0.718600  1
  Cu  Cu322  1  0.875404  0.012598  0.690923  1
  Cu  Cu323  1  0.452426  0.353757  0.675397  1
  Cu  Cu324  1  0.373600  0.013367  0.691165  1
