# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.51827612
_cell_length_b   14.55802777
_cell_length_c   46.20868981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.89051835
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr132 Cu66'
_cell_volume   8037.53106001
_cell_formula_units_Z   66
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  0.783081  0.737707  0.277130  1
  Zr  Zr2  1  0.452578  0.737726  0.277101  1
  Zr  Zr3  1  0.119749  0.741472  0.276534  1
  Zr  Zr4  1  0.331327  0.492159  0.290686  1
  Zr  Zr5  1  0.998509  0.499181  0.289923  1
  Zr  Zr6  1  0.658509  0.491945  0.290639  1
  Zr  Zr7  1  0.013321  0.199255  0.296436  1
  Zr  Zr8  1  0.684011  0.199199  0.296475  1
  Zr  Zr9  1  0.352428  0.206633  0.296997  1
  Zr  Zr10  1  0.892207  0.953553  0.310524  1
  Zr  Zr11  1  0.559736  0.953614  0.310507  1
  Zr  Zr12  1  0.226559  0.954744  0.309961  1
  Zr  Zr13  1  0.572743  0.647265  0.316598  1
  Zr  Zr14  1  0.237845  0.643172  0.314922  1
  Zr  Zr15  1  0.903328  0.643067  0.314846  1
  Zr  Zr16  1  0.116456  0.404884  0.335139  1
  Zr  Zr17  1  0.786802  0.404795  0.335142  1
  Zr  Zr18  1  0.450500  0.402706  0.333582  1
  Zr  Zr19  1  0.799534  0.100552  0.335713  1
  Zr  Zr20  1  0.463542  0.097795  0.334912  1
  Zr  Zr21  1  0.132980  0.097904  0.334835  1
  Zr  Zr22  1  0.676797  0.854862  0.353651  1
  Zr  Zr23  1  0.342337  0.855068  0.353418  1
  Zr  Zr24  1  0.011449  0.855315  0.353470  1
  Zr  Zr25  1  0.360100  0.553422  0.357466  1
  Zr  Zr26  1  0.026861  0.554963  0.358131  1
  Zr  Zr27  1  0.692066  0.553242  0.357366  1
  Zr  Zr28  1  0.902876  0.306914  0.373075  1
  Zr  Zr29  1  0.570160  0.310094  0.373780  1
  Zr  Zr30  1  0.238820  0.310095  0.373769  1
  Zr  Zr31  1  0.584869  0.004262  0.378595  1
  Zr  Zr32  1  0.251545  0.003972  0.378872  1
  Zr  Zr33  1  0.918550  0.004373  0.378575  1
  Zr  Zr34  1  0.465040  0.763826  0.395357  1
  Zr  Zr35  1  0.130699  0.762355  0.395204  1
  Zr  Zr36  1  0.798440  0.764280  0.395397  1
  Zr  Zr37  1  0.145616  0.459086  0.401056  1
  Zr  Zr38  1  0.813119  0.459267  0.401053  1
  Zr  Zr39  1  0.478513  0.457827  0.400846  1
  Zr  Zr40  1  0.691102  0.216244  0.416035  1
  Zr  Zr41  1  0.357454  0.215436  0.416335  1
  Zr  Zr42  1  0.024735  0.216256  0.415995  1
  Zr  Zr43  1  0.372818  0.912797  0.420722  1
  Zr  Zr44  1  0.039954  0.913054  0.420960  1
  Zr  Zr45  1  0.705559  0.911748  0.421160  1
  Zr  Zr46  1  0.252515  0.670565  0.437376  1
  Zr  Zr47  1  0.917874  0.670352  0.437265  1
  Zr  Zr48  1  0.585190  0.670450  0.437865  1
  Zr  Zr49  1  0.932216  0.364496  0.442088  1
  Zr  Zr50  1  0.600153  0.366438  0.442089  1
  Zr  Zr51  1  0.266163  0.366099  0.442245  1
  Zr  Zr52  1  0.479066  0.124029  0.457392  1
  Zr  Zr53  1  0.144734  0.123074  0.457344  1
  Zr  Zr54  1  0.811417  0.122882  0.457846  1
  Zr  Zr55  1  0.158850  0.817449  0.463129  1
  Zr  Zr56  1  0.826784  0.819021  0.463433  1
  Zr  Zr57  1  0.492519  0.818756  0.463397  1
  Zr  Zr58  1  0.039093  0.577277  0.479754  1
  Zr  Zr59  1  0.705757  0.576872  0.479149  1
  Zr  Zr60  1  0.371517  0.576871  0.479270  1
  Zr  Zr61  1  0.719579  0.271936  0.483848  1
  Zr  Zr62  1  0.386054  0.271784  0.483788  1
  Zr  Zr63  1  0.053081  0.271890  0.483679  1
  Zr  Zr64  1  0.266051  0.030885  0.500108  1
  Zr  Zr65  1  0.932324  0.029841  0.499999  1
  Zr  Zr66  1  0.598310  0.030116  0.499916  1
  Zr  Zr67  1  0.946065  0.725492  0.505228  1
  Zr  Zr68  1  0.613388  0.725161  0.505273  1
  Zr  Zr69  1  0.280637  0.726588  0.505481  1
  Zr  Zr70  1  0.825973  0.483966  0.521482  1
  Zr  Zr71  1  0.492605  0.484126  0.521437  1
  Zr  Zr72  1  0.159509  0.484473  0.521507  1
  Zr  Zr73  1  0.507064  0.179286  0.526148  1
  Zr  Zr74  1  0.172837  0.178745  0.525798  1
  Zr  Zr75  1  0.840362  0.178665  0.525770  1
  Zr  Zr76  1  0.052457  0.937830  0.542044  1
  Zr  Zr77  1  0.720315  0.938024  0.542112  1
  Zr  Zr78  1  0.385397  0.936094  0.541719  1
  Zr  Zr79  1  0.733532  0.632207  0.547821  1
  Zr  Zr80  1  0.400300  0.632590  0.547618  1
  Zr  Zr81  1  0.067705  0.633300  0.547700  1
  Zr  Zr82  1  0.612176  0.389216  0.562883  1
  Zr  Zr83  1  0.279310  0.390713  0.563219  1
  Zr  Zr84  1  0.946793  0.391111  0.563134  1
  Zr  Zr85  1  0.294446  0.085327  0.567498  1
  Zr  Zr86  1  0.960695  0.086099  0.568204  1
  Zr  Zr87  1  0.625971  0.085108  0.567430  1
  Zr  Zr88  1  0.839356  0.843569  0.584445  1
  Zr  Zr89  1  0.506688  0.843924  0.584369  1
  Zr  Zr90  1  0.172738  0.843710  0.584186  1
  Zr  Zr91  1  0.521546  0.540526  0.589177  1
  Zr  Zr92  1  0.187521  0.539385  0.589721  1
  Zr  Zr93  1  0.854596  0.540546  0.589169  1
  Zr  Zr94  1  0.400168  0.297888  0.604268  1
  Zr  Zr95  1  0.065579  0.295625  0.603980  1
  Zr  Zr96  1  0.733643  0.298071  0.604305  1
  Zr  Zr97  1  0.081272  0.993025  0.609953  1
  Zr  Zr98  1  0.747970  0.993432  0.609999  1
  Zr  Zr99  1  0.413455  0.991288  0.609804  1
  Zr  Zr100  1  0.627291  0.751676  0.626708  1
  Zr  Zr101  1  0.293560  0.751089  0.627119  1
  Zr  Zr102  1  0.960433  0.751644  0.626706  1
  Zr  Zr103  1  0.309692  0.447974  0.631496  1
  Zr  Zr104  1  0.974582  0.447965  0.631525  1
  Zr  Zr105  1  0.641103  0.445993  0.630715  1
  Zr  Zr106  1  0.186862  0.202307  0.647511  1
  Zr  Zr107  1  0.851805  0.202140  0.647442  1
  Zr  Zr108  1  0.519932  0.203528  0.647963  1
  Zr  Zr109  1  0.868562  0.900514  0.651874  1
  Zr  Zr110  1  0.536803  0.901281  0.651750  1
  Zr  Zr111  1  0.200878  0.901096  0.651714  1
  Zr  Zr112  1  0.415226  0.658070  0.669896  1
  Zr  Zr113  1  0.079388  0.657968  0.669977  1
  Zr  Zr114  1  0.748372  0.660267  0.670406  1
  Zr  Zr115  1  0.093458  0.350128  0.669759  1
  Zr  Zr116  1  0.762565  0.352729  0.671412  1
  Zr  Zr117  1  0.427075  0.352771  0.671400  1
  Zr  Zr118  1  0.976235  0.115284  0.690912  1
  Zr  Zr119  1  0.639933  0.109933  0.688722  1
  Zr  Zr120  1  0.307044  0.110006  0.688782  1
  Zr  Zr121  1  0.652745  0.802396  0.695418  1
  Zr  Zr122  1  0.320218  0.803597  0.694964  1
  Zr  Zr123  1  0.986473  0.802462  0.695398  1
  Zr  Zr124  1  0.197855  0.558401  0.709570  1
  Zr  Zr125  1  0.862124  0.550622  0.708581  1
  Zr  Zr126  1  0.525599  0.550705  0.708569  1
  Zr  Zr127  1  0.880086  0.264710  0.714607  1
  Zr  Zr128  1  0.553170  0.268992  0.713847  1
  Zr  Zr129  1  0.222021  0.264913  0.714642  1
  Zr  Zr130  1  0.759910  0.019177  0.728274  1
  Zr  Zr131  1  0.429791  0.022309  0.727739  1
  Zr  Zr132  1  0.096404  0.019176  0.728238  1
  Cu  Cu133  1  0.672323  0.846813  0.295371  1
  Cu  Cu134  1  0.339283  0.845825  0.295504  1
  Cu  Cu135  1  1.004513  0.845807  0.295547  1
  Cu  Cu136  1  0.226423  0.303488  0.313896  1
  Cu  Cu137  1  0.111216  0.393106  0.278842  1
  Cu  Cu138  1  0.778944  0.392983  0.278855  1
  Cu  Cu139  1  0.458192  0.755348  0.334576  1
  Cu  Cu140  1  0.126000  0.754190  0.333813  1
  Cu  Cu141  1  0.795516  0.755252  0.334650  1
  Cu  Cu142  1  0.020275  0.200792  0.355732  1
  Cu  Cu143  1  0.903826  0.309437  0.310391  1
  Cu  Cu144  1  0.575133  0.303421  0.313888  1
  Cu  Cu145  1  0.245896  0.656265  0.376628  1
  Cu  Cu146  1  0.909198  0.656378  0.376490  1
  Cu  Cu147  1  0.577555  0.655414  0.378000  1
  Cu  Cu148  1  0.804545  0.109775  0.397188  1
  Cu  Cu149  1  0.679254  0.200768  0.355778  1
  Cu  Cu150  1  0.349538  0.200324  0.356351  1
  Cu  Cu151  1  0.032647  0.565142  0.419695  1
  Cu  Cu152  1  0.698355  0.565996  0.418071  1
  Cu  Cu153  1  0.366907  0.565660  0.418319  1
  Cu  Cu154  1  0.591754  0.016816  0.439535  1
  Cu  Cu155  1  0.472354  0.111816  0.395907  1
  Cu  Cu156  1  0.138749  0.111823  0.395805  1
  Cu  Cu157  1  0.820344  0.471170  0.461275  1
  Cu  Cu158  1  0.485615  0.471017  0.461286  1
  Cu  Cu159  1  0.151133  0.471105  0.461198  1
  Cu  Cu160  1  0.378650  0.925537  0.480850  1
  Cu  Cu161  1  0.258530  0.015950  0.440181  1
  Cu  Cu162  1  0.924408  0.016924  0.439471  1
  Cu  Cu163  1  0.605980  0.378119  0.502467  1
  Cu  Cu164  1  0.272685  0.377990  0.502843  1
  Cu  Cu165  1  0.939605  0.377757  0.502654  1
  Cu  Cu166  1  0.165035  0.831679  0.523543  1
  Cu  Cu167  1  0.047318  0.924850  0.481480  1
  Cu  Cu168  1  0.712261  0.924247  0.481683  1
  Cu  Cu169  1  0.391823  0.284682  0.543908  1
  Cu  Cu170  1  0.059993  0.285283  0.543734  1
  Cu  Cu171  1  0.727850  0.284650  0.544057  1
  Cu  Cu172  1  0.953746  0.739610  0.565531  1
  Cu  Cu173  1  0.832354  0.830562  0.524136  1
  Cu  Cu174  1  0.501210  0.831296  0.524002  1
  Cu  Cu175  1  0.181489  0.190528  0.586323  1
  Cu  Cu176  1  0.844456  0.190856  0.586141  1
  Cu  Cu177  1  0.512954  0.189977  0.587449  1
  Cu  Cu178  1  0.740665  0.645428  0.609261  1
  Cu  Cu179  1  0.620547  0.739527  0.565484  1
  Cu  Cu180  1  0.287262  0.738268  0.566343  1
  Cu  Cu181  1  0.967896  0.099072  0.629410  1
  Cu  Cu182  1  0.633322  0.100615  0.627402  1
  Cu  Cu183  1  0.303106  0.100547  0.627501  1
  Cu  Cu184  1  0.531919  0.554694  0.649605  1
  Cu  Cu185  1  0.407469  0.646012  0.608548  1
  Cu  Cu186  1  0.074342  0.645911  0.608649  1
  Cu  Cu187  1  0.755247  1.001263  0.671028  1
  Cu  Cu188  1  0.418447  1.000237  0.670284  1
  Cu  Cu189  1  0.083201  0.001376  0.670946  1
  Cu  Cu190  1  0.304179  0.453158  0.691350  1
  Cu  Cu191  1  0.195217  0.553995  0.650620  1
  Cu  Cu192  1  0.859199  0.554723  0.649600  1
  Cu  Cu193  1  0.540043  0.910619  0.709946  1
  Cu  Cu194  1  0.207876  0.910633  0.709913  1
  Cu  Cu195  1  0.874771  0.912452  0.709685  1
  Cu  Cu196  1  0.100408  0.362919  0.725964  1
  Cu  Cu197  1  0.986143  0.453093  0.691382  1
  Cu  Cu198  1  0.647631  0.458101  0.688648  1
