# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01918838
_cell_length_b   33.12363527
_cell_length_c   47.72759887
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.18176505
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr216 Cu108'
_cell_volume   14126.000455
_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  0.147563  0.726927  0.309367  1
  Zr  Zr2  1  0.648732  0.726936  0.309373  1
  Zr  Zr3  1  0.064936  0.393391  0.324243  1
  Zr  Zr4  1  0.729798  0.063647  0.294782  1
  Zr  Zr5  1  0.566680  0.389859  0.322580  1
  Zr  Zr6  1  0.229774  0.063586  0.294645  1
  Zr  Zr7  1  0.430708  0.661816  0.303027  1
  Zr  Zr8  1  0.931104  0.661007  0.304004  1
  Zr  Zr9  1  0.345167  0.324781  0.318439  1
  Zr  Zr10  1  0.012205  0.998576  0.289009  1
  Zr  Zr11  1  0.853280  0.324844  0.318423  1
  Zr  Zr12  1  0.512375  0.998571  0.288988  1
  Zr  Zr13  1  0.315918  0.891414  0.323918  1
  Zr  Zr14  1  0.815930  0.891347  0.323905  1
  Zr  Zr15  1  0.979024  0.565171  0.295530  1
  Zr  Zr16  1  0.896634  0.227138  0.309429  1
  Zr  Zr17  1  0.480470  0.562277  0.293850  1
  Zr  Zr18  1  0.399434  0.227185  0.309460  1
  Zr  Zr19  1  0.099582  0.824444  0.318226  1
  Zr  Zr20  1  0.599199  0.824436  0.318223  1
  Zr  Zr21  1  0.768263  0.496550  0.290297  1
  Zr  Zr22  1  0.680901  0.161315  0.303590  1
  Zr  Zr23  1  0.258376  0.496550  0.290312  1
  Zr  Zr24  1  0.180770  0.161757  0.303503  1
  Zr  Zr25  1  0.402124  0.718906  0.357683  1
  Zr  Zr26  1  0.902189  0.718904  0.357793  1
  Zr  Zr27  1  0.320419  0.381424  0.372778  1
  Zr  Zr28  1  0.983773  0.055856  0.342532  1
  Zr  Zr29  1  0.821345  0.381521  0.372834  1
  Zr  Zr30  1  0.483591  0.055811  0.342481  1
  Zr  Zr31  1  0.685007  0.651260  0.351273  1
  Zr  Zr32  1  0.186956  0.651230  0.351280  1
  Zr  Zr33  1  0.604301  0.314687  0.366347  1
  Zr  Zr34  1  0.267804  0.987541  0.337001  1
  Zr  Zr35  1  0.104172  0.314791  0.366534  1
  Zr  Zr36  1  0.767860  0.987538  0.337006  1
  Zr  Zr37  1  0.570689  0.881922  0.372067  1
  Zr  Zr38  1  0.070607  0.881930  0.372090  1
  Zr  Zr39  1  0.232739  0.555513  0.342366  1
  Zr  Zr40  1  0.152186  0.218909  0.357822  1
  Zr  Zr41  1  0.734989  0.555459  0.342368  1
  Zr  Zr42  1  0.652023  0.219088  0.357708  1
  Zr  Zr43  1  0.354248  0.814717  0.366374  1
  Zr  Zr44  1  0.854246  0.814725  0.366427  1
  Zr  Zr45  1  0.018478  0.486184  0.336179  1
  Zr  Zr46  1  0.935874  0.151376  0.351286  1
  Zr  Zr47  1  0.517067  0.489147  0.337111  1
  Zr  Zr48  1  0.435927  0.151427  0.351291  1
  Zr  Zr49  1  0.655984  0.709419  0.404741  1
  Zr  Zr50  1  0.157825  0.709419  0.404763  1
  Zr  Zr51  1  0.575516  0.372258  0.420664  1
  Zr  Zr52  1  0.238718  0.045819  0.389291  1
  Zr  Zr53  1  0.075842  0.371413  0.421415  1
  Zr  Zr54  1  0.738770  0.045621  0.389344  1
  Zr  Zr55  1  0.940395  0.642555  0.398866  1
  Zr  Zr56  1  0.440904  0.641287  0.398238  1
  Zr  Zr57  1  0.858684  0.304935  0.413807  1
  Zr  Zr58  1  0.523206  0.976620  0.381297  1
  Zr  Zr59  1  0.359588  0.304916  0.413891  1
  Zr  Zr60  1  0.023406  0.976572  0.381293  1
  Zr  Zr61  1  0.825866  0.871575  0.421077  1
  Zr  Zr62  1  0.325822  0.871512  0.421032  1
  Zr  Zr63  1  0.488200  0.546866  0.389504  1
  Zr  Zr64  1  0.406722  0.209455  0.404873  1
  Zr  Zr65  1  0.989143  0.544858  0.389360  1
  Zr  Zr66  1  0.907027  0.209458  0.404742  1
  Zr  Zr67  1  0.609392  0.804945  0.413680  1
  Zr  Zr68  1  0.108905  0.804908  0.413679  1
  Zr  Zr69  1  0.273471  0.477047  0.381994  1
  Zr  Zr70  1  0.190675  0.141854  0.398471  1
  Zr  Zr71  1  0.772778  0.476915  0.382050  1
  Zr  Zr72  1  0.690585  0.142037  0.398504  1
  Zr  Zr73  1  0.911975  0.699444  0.453309  1
  Zr  Zr74  1  0.411969  0.699156  0.453113  1
  Zr  Zr75  1  0.830194  0.362311  0.468810  1
  Zr  Zr76  1  0.494008  0.035251  0.436717  1
  Zr  Zr77  1  0.330557  0.362695  0.468767  1
  Zr  Zr78  1  0.994050  0.035092  0.436610  1
  Zr  Zr79  1  0.195489  0.632181  0.446525  1
  Zr  Zr80  1  0.695507  0.632276  0.446444  1
  Zr  Zr81  1  0.114130  0.295301  0.462732  1
  Zr  Zr82  1  0.777529  0.967907  0.429935  1
  Zr  Zr83  1  0.613630  0.295606  0.462571  1
  Zr  Zr84  1  0.277742  0.968001  0.429913  1
  Zr  Zr85  1  0.080300  0.862544  0.468634  1
  Zr  Zr86  1  0.580371  0.862619  0.468666  1
  Zr  Zr87  1  0.743338  0.535226  0.436726  1
  Zr  Zr88  1  0.662053  0.199304  0.453143  1
  Zr  Zr89  1  0.244641  0.535233  0.436805  1
  Zr  Zr90  1  0.161848  0.199341  0.453195  1
  Zr  Zr91  1  0.863913  0.795337  0.462593  1
  Zr  Zr92  1  0.363941  0.795444  0.462560  1
  Zr  Zr93  1  0.527745  0.467615  0.429258  1
  Zr  Zr94  1  0.445511  0.132058  0.446466  1
  Zr  Zr95  1  0.027563  0.468159  0.430490  1
  Zr  Zr96  1  0.945524  0.132320  0.446511  1
  Zr  Zr97  1  0.166506  0.689776  0.500611  1
  Zr  Zr98  1  0.666986  0.689770  0.500561  1
  Zr  Zr99  1  0.085347  0.352961  0.516730  1
  Zr  Zr100  1  0.748520  0.025913  0.484191  1
  Zr  Zr101  1  0.584794  0.353290  0.516718  1
  Zr  Zr102  1  0.248833  0.025890  0.484237  1
  Zr  Zr103  1  0.450572  0.622211  0.494331  1
  Zr  Zr104  1  0.950689  0.621767  0.493941  1
  Zr  Zr105  1  0.368900  0.286048  0.510239  1
  Zr  Zr106  1  0.032476  0.958333  0.477778  1
  Zr  Zr107  1  0.868670  0.285379  0.510252  1
  Zr  Zr108  1  0.532484  0.958242  0.477794  1
  Zr  Zr109  1  0.335192  0.852934  0.516484  1
  Zr  Zr110  1  0.835180  0.852866  0.516498  1
  Zr  Zr111  1  0.998729  0.526337  0.484449  1
  Zr  Zr112  1  0.916698  0.189978  0.500717  1
  Zr  Zr113  1  0.498505  0.525670  0.484473  1
  Zr  Zr114  1  0.416817  0.189529  0.500337  1
  Zr  Zr115  1  0.118929  0.785657  0.510194  1
  Zr  Zr116  1  0.618662  0.785686  0.510143  1
  Zr  Zr117  1  0.782069  0.458721  0.477977  1
  Zr  Zr118  1  0.700907  0.121939  0.493882  1
  Zr  Zr119  1  0.282624  0.458397  0.477985  1
  Zr  Zr120  1  0.200406  0.121943  0.493925  1
  Zr  Zr121  1  0.421877  0.679686  0.548343  1
  Zr  Zr122  1  0.921858  0.679435  0.548289  1
  Zr  Zr123  1  0.339687  0.344045  0.565454  1
  Zr  Zr124  1  0.003535  0.016263  0.531842  1
  Zr  Zr125  1  0.839873  0.343482  0.564216  1
  Zr  Zr126  1  0.503542  0.016136  0.531884  1
  Zr  Zr127  1  0.705525  0.612446  0.541476  1
  Zr  Zr128  1  0.205303  0.612486  0.541527  1
  Zr  Zr129  1  0.622792  0.276423  0.557889  1
  Zr  Zr130  1  0.286953  0.949235  0.525623  1
  Zr  Zr131  1  0.124093  0.276429  0.557968  1
  Zr  Zr132  1  0.787049  0.949293  0.525650  1
  Zr  Zr133  1  0.589658  0.843761  0.565058  1
  Zr  Zr134  1  0.089827  0.843859  0.565024  1
  Zr  Zr135  1  0.253765  0.516125  0.532097  1
  Zr  Zr136  1  0.171891  0.179405  0.548142  1
  Zr  Zr137  1  0.753261  0.516434  0.531939  1
  Zr  Zr138  1  0.671951  0.179501  0.548063  1
  Zr  Zr139  1  0.373443  0.776371  0.557877  1
  Zr  Zr140  1  0.873399  0.776524  0.557970  1
  Zr  Zr141  1  0.037221  0.449379  0.525883  1
  Zr  Zr142  1  0.955447  0.112238  0.541258  1
  Zr  Zr143  1  0.536861  0.448989  0.525923  1
  Zr  Zr144  1  0.455444  0.112534  0.541467  1
  Zr  Zr145  1  0.676675  0.669974  0.596172  1
  Zr  Zr146  1  0.176757  0.669787  0.596142  1
  Zr  Zr147  1  0.594015  0.334569  0.612718  1
  Zr  Zr148  1  0.257950  0.006864  0.580464  1
  Zr  Zr149  1  0.094641  0.334702  0.612661  1
  Zr  Zr150  1  0.758466  0.006893  0.580470  1
  Zr  Zr151  1  0.960359  0.602282  0.589949  1
  Zr  Zr152  1  0.460671  0.602284  0.589823  1
  Zr  Zr153  1  0.878341  0.266696  0.605333  1
  Zr  Zr154  1  0.541853  0.939656  0.573660  1
  Zr  Zr155  1  0.379277  0.264702  0.605170  1
  Zr  Zr156  1  0.041811  0.939593  0.573599  1
  Zr  Zr157  1  0.844370  0.834358  0.612171  1
  Zr  Zr158  1  0.344609  0.834309  0.612151  1
  Zr  Zr159  1  0.507815  0.506775  0.580779  1
  Zr  Zr160  1  0.426593  0.170240  0.596353  1
  Zr  Zr161  1  0.008738  0.506761  0.580859  1
  Zr  Zr162  1  0.927090  0.168997  0.595738  1
  Zr  Zr163  1  0.628793  0.765697  0.605423  1
  Zr  Zr164  1  0.128716  0.765903  0.605368  1
  Zr  Zr165  1  0.291910  0.439408  0.574012  1
  Zr  Zr166  1  0.211462  0.102183  0.589708  1
  Zr  Zr167  1  0.791577  0.440268  0.573261  1
  Zr  Zr168  1  0.709646  0.102184  0.589689  1
  Zr  Zr169  1  0.931430  0.660542  0.643366  1
  Zr  Zr170  1  0.431375  0.660480  0.643361  1
  Zr  Zr171  1  0.848990  0.325399  0.658513  1
  Zr  Zr172  1  0.513207  0.996904  0.628065  1
  Zr  Zr173  1  0.350419  0.322401  0.657556  1
  Zr  Zr174  1  0.013202  0.996897  0.628011  1
  Zr  Zr175  1  0.215368  0.592637  0.636896  1
  Zr  Zr176  1  0.715212  0.592823  0.636782  1
  Zr  Zr177  1  0.132526  0.255997  0.652252  1
  Zr  Zr178  1  0.796381  0.930635  0.621026  1
  Zr  Zr179  1  0.634812  0.255942  0.652254  1
  Zr  Zr180  1  0.296278  0.930649  0.621032  1
  Zr  Zr181  1  0.099477  0.824312  0.658860  1
  Zr  Zr182  1  0.599537  0.824310  0.658872  1
  Zr  Zr183  1  0.763249  0.496882  0.628121  1
  Zr  Zr184  1  0.680605  0.160186  0.643308  1
  Zr  Zr185  1  0.263121  0.496993  0.628308  1
  Zr  Zr186  1  0.182539  0.160155  0.643314  1
  Zr  Zr187  1  0.883263  0.756596  0.652583  1
  Zr  Zr188  1  0.383435  0.756650  0.652637  1
  Zr  Zr189  1  0.546996  0.430220  0.621902  1
  Zr  Zr190  1  0.465418  0.092536  0.636874  1
  Zr  Zr191  1  0.046116  0.430124  0.621843  1
  Zr  Zr192  1  0.965350  0.092541  0.636769  1
  Zr  Zr193  1  0.186545  0.650279  0.691024  1
  Zr  Zr194  1  0.686713  0.649826  0.691116  1
  Zr  Zr195  1  0.099488  0.314893  0.704324  1
  Zr  Zr196  1  0.768298  0.986385  0.675910  1
  Zr  Zr197  1  0.608952  0.314892  0.704309  1
  Zr  Zr198  1  0.268617  0.986396  0.675908  1
  Zr  Zr199  1  0.467975  0.584510  0.685116  1
  Zr  Zr200  1  0.970781  0.584553  0.685144  1
  Zr  Zr201  1  0.387115  0.249071  0.700720  1
  Zr  Zr202  1  0.051822  0.919711  0.671403  1
  Zr  Zr203  1  0.888537  0.246232  0.699070  1
  Zr  Zr204  1  0.551792  0.919671  0.671399  1
  Zr  Zr205  1  0.353163  0.816873  0.703472  1
  Zr  Zr206  1  0.853336  0.816822  0.703457  1
  Zr  Zr207  1  0.014142  0.486813  0.676226  1
  Zr  Zr208  1  0.936532  0.150248  0.690573  1
  Zr  Zr209  1  0.522273  0.486875  0.676213  1
  Zr  Zr210  1  0.436917  0.149453  0.691519  1
  Zr  Zr211  1  0.137961  0.747402  0.699855  1
  Zr  Zr212  1  0.637932  0.747467  0.699988  1
  Zr  Zr213  1  0.802521  0.418219  0.670397  1
  Zr  Zr214  1  0.720136  0.084140  0.685016  1
  Zr  Zr215  1  0.300763  0.421767  0.672083  1
  Zr  Zr216  1  0.219028  0.084128  0.685007  1
  Cu  Cu217  1  0.373987  0.775211  0.316001  1
  Cu  Cu218  1  0.873922  0.775420  0.316128  1
  Cu  Cu219  1  0.305179  0.437418  0.329088  1
  Cu  Cu220  1  0.955886  0.112383  0.300828  1
  Cu  Cu221  1  0.534275  0.454626  0.288365  1
  Cu  Cu222  1  0.454930  0.112379  0.300839  1
  Cu  Cu223  1  0.208893  0.612308  0.300828  1
  Cu  Cu224  1  0.702031  0.612292  0.300849  1
  Cu  Cu225  1  0.124184  0.274639  0.316086  1
  Cu  Cu226  1  0.784569  0.953971  0.287911  1
  Cu  Cu227  1  0.623633  0.276227  0.316017  1
  Cu  Cu228  1  0.284546  0.954027  0.287895  1
  Cu  Cu229  1  0.628017  0.767068  0.360032  1
  Cu  Cu230  1  0.128128  0.767068  0.360022  1
  Cu  Cu231  1  0.547329  0.428050  0.375523  1
  Cu  Cu232  1  0.209782  0.103894  0.345320  1
  Cu  Cu233  1  0.780616  0.437423  0.329061  1
  Cu  Cu234  1  0.709608  0.103719  0.345669  1
  Cu  Cu235  1  0.459976  0.603449  0.344035  1
  Cu  Cu236  1  0.959537  0.603921  0.346965  1
  Cu  Cu237  1  0.377627  0.267192  0.360201  1
  Cu  Cu238  1  0.042790  0.937533  0.325288  1
  Cu  Cu239  1  0.878375  0.267202  0.360098  1
  Cu  Cu240  1  0.542892  0.937559  0.325290  1
  Cu  Cu241  1  0.883088  0.756941  0.410641  1
  Cu  Cu242  1  0.383029  0.757269  0.410659  1
  Cu  Cu243  1  0.803540  0.419912  0.425704  1
  Cu  Cu244  1  0.465101  0.093977  0.394792  1
  Cu  Cu245  1  0.047622  0.428608  0.378784  1
  Cu  Cu246  1  0.964113  0.094003  0.394924  1
  Cu  Cu247  1  0.719073  0.593895  0.394715  1
  Cu  Cu248  1  0.210273  0.593845  0.394773  1
  Cu  Cu249  1  0.633133  0.257022  0.410652  1
  Cu  Cu250  1  0.297621  0.928127  0.378225  1
  Cu  Cu251  1  0.132966  0.257169  0.410723  1
  Cu  Cu252  1  0.797449  0.928161  0.378196  1
  Cu  Cu253  1  0.138374  0.747554  0.457110  1
  Cu  Cu254  1  0.637329  0.747532  0.457053  1
  Cu  Cu255  1  0.055484  0.410414  0.473682  1
  Cu  Cu256  1  0.720239  0.083922  0.441215  1
  Cu  Cu257  1  0.299631  0.419983  0.425410  1
  Cu  Cu258  1  0.219098  0.083849  0.441319  1
  Cu  Cu259  1  0.969540  0.583867  0.440946  1
  Cu  Cu260  1  0.469713  0.584066  0.442176  1
  Cu  Cu261  1  0.887396  0.247620  0.457074  1
  Cu  Cu262  1  0.551469  0.919903  0.424892  1
  Cu  Cu263  1  0.388215  0.247583  0.457338  1
  Cu  Cu264  1  0.051833  0.919944  0.424953  1
  Cu  Cu265  1  0.392843  0.737674  0.505731  1
  Cu  Cu266  1  0.892684  0.737792  0.506069  1
  Cu  Cu267  1  0.310160  0.401018  0.521507  1
  Cu  Cu268  1  0.974736  0.073862  0.488665  1
  Cu  Cu269  1  0.557250  0.410654  0.473182  1
  Cu  Cu270  1  0.474593  0.073991  0.489038  1
  Cu  Cu271  1  0.226173  0.574004  0.488978  1
  Cu  Cu272  1  0.723043  0.574035  0.488705  1
  Cu  Cu273  1  0.144345  0.237722  0.505950  1
  Cu  Cu274  1  0.806630  0.910417  0.473438  1
  Cu  Cu275  1  0.641201  0.237753  0.505677  1
  Cu  Cu276  1  0.306204  0.910418  0.473307  1
  Cu  Cu277  1  0.648314  0.727808  0.553070  1
  Cu  Cu278  1  0.147212  0.727733  0.553188  1
  Cu  Cu279  1  0.567850  0.391672  0.569297  1
  Cu  Cu280  1  0.230132  0.064153  0.537122  1
  Cu  Cu281  1  0.811956  0.401255  0.521020  1
  Cu  Cu282  1  0.729001  0.064133  0.537074  1
  Cu  Cu283  1  0.479159  0.564169  0.537384  1
  Cu  Cu284  1  0.979997  0.564131  0.537632  1
  Cu  Cu285  1  0.397720  0.227586  0.552505  1
  Cu  Cu286  1  0.060994  0.900963  0.521348  1
  Cu  Cu287  1  0.897892  0.227789  0.553726  1
  Cu  Cu288  1  0.561313  0.900959  0.521512  1
  Cu  Cu289  1  0.903128  0.718054  0.600130  1
  Cu  Cu290  1  0.402118  0.718075  0.600274  1
  Cu  Cu291  1  0.819820  0.383031  0.615884  1
  Cu  Cu292  1  0.484372  0.054465  0.583862  1
  Cu  Cu293  1  0.063842  0.391744  0.568999  1
  Cu  Cu294  1  0.984292  0.054796  0.583879  1
  Cu  Cu295  1  0.734433  0.554539  0.583926  1
  Cu  Cu296  1  0.234274  0.554694  0.583989  1
  Cu  Cu297  1  0.657169  0.217691  0.599847  1
  Cu  Cu298  1  0.315984  0.891724  0.568385  1
  Cu  Cu299  1  0.148473  0.217639  0.599904  1
  Cu  Cu300  1  0.815604  0.891687  0.568353  1
  Cu  Cu301  1  0.157715  0.708203  0.649012  1
  Cu  Cu302  1  0.657497  0.708019  0.649366  1
  Cu  Cu303  1  0.086916  0.374192  0.665649  1
  Cu  Cu304  1  0.739448  0.044309  0.634267  1
  Cu  Cu305  1  0.320117  0.383578  0.619173  1
  Cu  Cu306  1  0.239554  0.044312  0.634251  1
  Cu  Cu307  1  0.989028  0.544469  0.634534  1
  Cu  Cu308  1  0.489817  0.544481  0.634436  1
  Cu  Cu309  1  0.908029  0.207472  0.647692  1
  Cu  Cu310  1  0.570012  0.883118  0.618281  1
  Cu  Cu311  1  0.407578  0.207960  0.650563  1
  Cu  Cu312  1  0.070197  0.883075  0.618286  1
  Cu  Cu313  1  0.412669  0.698988  0.693739  1
  Cu  Cu314  1  0.911658  0.699001  0.693756  1
  Cu  Cu315  1  0.333195  0.356961  0.706280  1
  Cu  Cu316  1  0.993799  0.035654  0.678418  1
  Cu  Cu317  1  0.562191  0.374198  0.665625  1
  Cu  Cu318  1  0.493752  0.035847  0.678540  1
  Cu  Cu319  1  0.243779  0.535477  0.678596  1
  Cu  Cu320  1  0.743215  0.537069  0.678521  1
  Cu  Cu321  1  0.165489  0.199065  0.693711  1
  Cu  Cu322  1  0.824316  0.874734  0.662412  1
  Cu  Cu323  1  0.658753  0.199048  0.693733  1
  Cu  Cu324  1  0.324279  0.874705  0.662379  1
