# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.75075317
_cell_length_b   12.02472227
_cell_length_c   46.65906964
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.52599631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr144 Cu144'
_cell_volume   10930.257985
_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  0.696193  0.968846  0.313284  1
  Zr  Zr2  1  0.196144  0.968281  0.313724  1
  Zr  Zr3  1  0.353509  0.912029  0.335373  1
  Zr  Zr4  1  0.528466  0.635885  0.313168  1
  Zr  Zr5  1  0.543949  0.999789  0.300403  1
  Zr  Zr6  1  0.713966  0.718878  0.279579  1
  Zr  Zr7  1  0.880882  0.051826  0.279497  1
  Zr  Zr8  1  0.029245  0.635545  0.313244  1
  Zr  Zr9  1  0.042493  0.997645  0.299577  1
  Zr  Zr10  1  0.214973  0.717921  0.280575  1
  Zr  Zr11  1  0.362717  0.303796  0.313866  1
  Zr  Zr12  1  0.374284  0.668387  0.299562  1
  Zr  Zr13  1  0.547551  0.383726  0.279541  1
  Zr  Zr14  1  0.708869  0.331932  0.299552  1
  Zr  Zr15  1  0.862592  0.302434  0.313196  1
  Zr  Zr16  1  0.875483  0.664797  0.299538  1
  Zr  Zr17  1  0.047588  0.385170  0.279570  1
  Zr  Zr18  1  0.208056  0.331744  0.299849  1
  Zr  Zr19  1  0.663746  0.826262  0.373866  1
  Zr  Zr20  1  0.163678  0.826044  0.374172  1
  Zr  Zr21  1  0.313733  0.791934  0.389330  1
  Zr  Zr22  1  0.496911  0.493226  0.373880  1
  Zr  Zr23  1  0.502431  0.879948  0.352260  1
  Zr  Zr24  1  0.687148  0.579088  0.336066  1
  Zr  Zr25  1  0.854109  0.911640  0.336115  1
  Zr  Zr26  1  0.997119  0.492695  0.374033  1
  Zr  Zr27  1  1.002399  0.878853  0.351785  1
  Zr  Zr28  1  0.187528  0.577842  0.336113  1
  Zr  Zr29  1  0.330849  0.158354  0.373367  1
  Zr  Zr30  1  0.336178  0.546317  0.351573  1
  Zr  Zr31  1  0.520757  0.245926  0.336519  1
  Zr  Zr32  1  0.669279  0.212397  0.351716  1
  Zr  Zr33  1  0.830626  0.159532  0.373953  1
  Zr  Zr34  1  0.835731  0.545509  0.351694  1
  Zr  Zr35  1  0.021051  0.244749  0.336153  1
  Zr  Zr36  1  0.170917  0.210065  0.351233  1
  Zr  Zr37  1  0.622802  0.705026  0.426906  1
  Zr  Zr38  1  0.122867  0.704716  0.426925  1
  Zr  Zr39  1  0.283480  0.652086  0.449707  1
  Zr  Zr40  1  0.456149  0.371428  0.426769  1
  Zr  Zr41  1  0.473612  0.739368  0.412037  1
  Zr  Zr42  1  0.646751  0.458639  0.389374  1
  Zr  Zr43  1  0.813355  0.791790  0.389367  1
  Zr  Zr44  1  0.956374  0.371454  0.426839  1
  Zr  Zr45  1  0.973606  0.739253  0.412010  1
  Zr  Zr46  1  0.147024  0.457852  0.389278  1
  Zr  Zr47  1  0.289443  0.038618  0.426997  1
  Zr  Zr48  1  0.307079  0.405417  0.411849  1
  Zr  Zr49  1  0.479618  0.125256  0.388904  1
  Zr  Zr50  1  0.640078  0.072739  0.411944  1
  Zr  Zr51  1  0.789423  0.038423  0.426921  1
  Zr  Zr52  1  0.807005  0.405991  0.411985  1
  Zr  Zr53  1  0.980305  0.125062  0.389330  1
  Zr  Zr54  1  0.140375  0.072701  0.412011  1
  Zr  Zr55  1  0.593168  0.565391  0.487242  1
  Zr  Zr56  1  0.093253  0.565272  0.487214  1
  Zr  Zr57  1  0.242313  0.530971  0.502261  1
  Zr  Zr58  1  0.426493  0.231958  0.487162  1
  Zr  Zr59  1  0.432593  0.617959  0.464557  1
  Zr  Zr60  1  0.616894  0.319128  0.449723  1
  Zr  Zr61  1  0.783481  0.652352  0.449663  1
  Zr  Zr62  1  0.926480  0.231985  0.487226  1
  Zr  Zr63  1  0.932650  0.617918  0.464535  1
  Zr  Zr64  1  0.116880  0.318891  0.449618  1
  Zr  Zr65  1  0.259868  0.898606  0.487259  1
  Zr  Zr66  1  0.265905  0.284684  0.464581  1
  Zr  Zr67  1  0.450059  0.985828  0.449365  1
  Zr  Zr68  1  0.599222  0.951405  0.464631  1
  Zr  Zr69  1  0.759870  0.898665  0.487251  1
  Zr  Zr70  1  0.765999  0.284688  0.464591  1
  Zr  Zr71  1  0.950125  0.985639  0.449643  1
  Zr  Zr72  1  0.099252  0.951194  0.464582  1
  Zr  Zr73  1  0.551982  0.444002  0.539796  1
  Zr  Zr74  1  0.051949  0.444303  0.539791  1
  Zr  Zr75  1  0.212697  0.391639  0.562534  1
  Zr  Zr76  1  0.385366  0.110749  0.539813  1
  Zr  Zr77  1  0.402848  0.478347  0.524895  1
  Zr  Zr78  1  0.575593  0.197745  0.502238  1
  Zr  Zr79  1  0.742337  0.531020  0.502274  1
  Zr  Zr80  1  0.885296  0.110744  0.539922  1
  Zr  Zr81  1  0.902860  0.478373  0.524912  1
  Zr  Zr82  1  0.075572  0.197749  0.502163  1
  Zr  Zr83  1  0.218669  0.777219  0.539849  1
  Zr  Zr84  1  0.236274  0.145091  0.524914  1
  Zr  Zr85  1  0.409001  0.864461  0.502199  1
  Zr  Zr86  1  0.569595  0.811668  0.524918  1
  Zr  Zr87  1  0.718685  0.777300  0.539849  1
  Zr  Zr88  1  0.736249  0.145011  0.524926  1
  Zr  Zr89  1  0.908979  0.864373  0.502277  1
  Zr  Zr90  1  0.069600  0.811586  0.524940  1
  Zr  Zr91  1  0.522060  0.304684  0.600107  1
  Zr  Zr92  1  0.021867  0.304617  0.600119  1
  Zr  Zr93  1  0.171709  0.270977  0.615134  1
  Zr  Zr94  1  0.355694  0.971096  0.600006  1
  Zr  Zr95  1  0.361791  0.357089  0.577525  1
  Zr  Zr96  1  0.546032  0.058012  0.562526  1
  Zr  Zr97  1  0.712706  0.391315  0.562616  1
  Zr  Zr98  1  0.855349  0.971062  0.600219  1
  Zr  Zr99  1  0.861861  0.356947  0.577564  1
  Zr  Zr100  1  0.045860  0.058003  0.562396  1
  Zr  Zr101  1  0.188606  0.638365  0.600282  1
  Zr  Zr102  1  0.195214  0.023592  0.577446  1
  Zr  Zr103  1  0.379207  0.724716  0.562601  1
  Zr  Zr104  1  0.528488  0.690314  0.577487  1
  Zr  Zr105  1  0.688789  0.637829  0.600155  1
  Zr  Zr106  1  0.695154  0.023616  0.577520  1
  Zr  Zr107  1  0.879323  0.724667  0.562637  1
  Zr  Zr108  1  0.028412  0.690709  0.577599  1
  Zr  Zr109  1  0.481362  0.184681  0.653394  1
  Zr  Zr110  1  0.982081  0.183905  0.653885  1
  Zr  Zr111  1  0.140705  0.130282  0.674428  1
  Zr  Zr112  1  0.315270  0.851073  0.653145  1
  Zr  Zr113  1  0.333005  0.217351  0.637831  1
  Zr  Zr114  1  0.504901  0.936958  0.615537  1
  Zr  Zr115  1  0.671529  0.270107  0.615548  1
  Zr  Zr116  1  0.814464  0.850956  0.653518  1
  Zr  Zr117  1  0.833008  0.217263  0.637810  1
  Zr  Zr118  1  0.004895  0.936748  0.615438  1
  Zr  Zr119  1  0.148008  0.518133  0.653425  1
  Zr  Zr120  1  0.165712  0.885010  0.638332  1
  Zr  Zr121  1  0.338315  0.603498  0.615546  1
  Zr  Zr122  1  0.499442  0.550870  0.637827  1
  Zr  Zr123  1  0.647908  0.517919  0.653398  1
  Zr  Zr124  1  0.666228  0.884174  0.637818  1
  Zr  Zr125  1  0.838443  0.603368  0.615681  1
  Zr  Zr126  1  0.999220  0.550429  0.637685  1
  Zr  Zr127  1  0.454697  0.044515  0.710047  1
  Zr  Zr128  1  0.950433  0.047923  0.711603  1
  Zr  Zr129  1  0.103081  0.011415  0.725080  1
  Zr  Zr130  1  0.287291  0.711019  0.710434  1
  Zr  Zr131  1  0.292485  0.098558  0.690374  1
  Zr  Zr132  1  0.473242  0.793674  0.676193  1
  Zr  Zr133  1  0.639443  0.127180  0.676249  1
  Zr  Zr134  1  0.787404  0.710696  0.710152  1
  Zr  Zr135  1  0.792319  0.097600  0.689961  1
  Zr  Zr136  1  0.972830  0.793193  0.676318  1
  Zr  Zr137  1  0.121354  0.372251  0.710246  1
  Zr  Zr138  1  0.127086  0.765008  0.691088  1
  Zr  Zr139  1  0.306474  0.461143  0.676395  1
  Zr  Zr140  1  0.459919  0.431259  0.689980  1
  Zr  Zr141  1  0.621306  0.377192  0.710025  1
  Zr  Zr142  1  0.626536  0.764527  0.690000  1
  Zr  Zr143  1  0.806116  0.461277  0.676291  1
  Zr  Zr144  1  0.960048  0.430161  0.690058  1
  Cu  Cu145  1  0.617066  0.175627  0.294422  1
  Cu  Cu146  1  0.117079  0.174416  0.294147  1
  Cu  Cu147  1  0.287284  0.124218  0.318289  1
  Cu  Cu148  1  0.455950  0.841948  0.296780  1
  Cu  Cu149  1  0.477421  0.203522  0.283488  1
  Cu  Cu150  1  0.616046  0.791525  0.318967  1
  Cu  Cu151  1  0.784380  0.124170  0.319243  1
  Cu  Cu152  1  0.950296  0.841864  0.294290  1
  Cu  Cu153  1  0.976545  0.202099  0.282054  1
  Cu  Cu154  1  0.117486  0.790582  0.319523  1
  Cu  Cu155  1  0.284159  0.506651  0.294281  1
  Cu  Cu156  1  0.262034  0.757525  0.333168  1
  Cu  Cu157  1  0.450537  0.457818  0.318801  1
  Cu  Cu158  1  0.642719  0.535909  0.282046  1
  Cu  Cu159  1  0.783446  0.508826  0.294268  1
  Cu  Cu160  1  0.809684  0.869104  0.281974  1
  Cu  Cu161  1  0.951087  0.457190  0.319335  1
  Cu  Cu162  1  0.143080  0.536129  0.281969  1
  Cu  Cu163  1  0.595545  0.033417  0.356204  1
  Cu  Cu164  1  0.095627  0.032724  0.356116  1
  Cu  Cu165  1  0.239992  0.003363  0.369595  1
  Cu  Cu166  1  0.428546  0.701653  0.355726  1
  Cu  Cu167  1  0.427766  0.090872  0.329477  1
  Cu  Cu168  1  0.572526  0.670910  0.369555  1
  Cu  Cu169  1  0.739416  0.004354  0.369614  1
  Cu  Cu170  1  0.928677  0.699394  0.356144  1
  Cu  Cu171  1  0.929303  0.091860  0.331905  1
  Cu  Cu172  1  0.072611  0.670517  0.369591  1
  Cu  Cu173  1  0.262368  0.365938  0.356020  1
  Cu  Cu174  1  0.237724  0.614094  0.394290  1
  Cu  Cu175  1  0.405712  0.337709  0.369522  1
  Cu  Cu176  1  0.596014  0.426062  0.331945  1
  Cu  Cu177  1  0.761984  0.366457  0.356101  1
  Cu  Cu178  1  0.762645  0.758504  0.331967  1
  Cu  Cu179  1  0.905963  0.337512  0.369514  1
  Cu  Cu180  1  0.095528  0.424980  0.332169  1
  Cu  Cu181  1  0.549424  0.917218  0.407370  1
  Cu  Cu182  1  0.049173  0.917029  0.407209  1
  Cu  Cu183  1  0.214079  0.859906  0.431694  1
  Cu  Cu184  1  0.382444  0.583707  0.407223  1
  Cu  Cu185  1  0.403605  0.947691  0.394028  1
  Cu  Cu186  1  0.547281  0.526684  0.431610  1
  Cu  Cu187  1  0.713926  0.860232  0.431616  1
  Cu  Cu188  1  0.882474  0.583736  0.407153  1
  Cu  Cu189  1  0.904183  0.947518  0.394358  1
  Cu  Cu190  1  0.047540  0.526614  0.431545  1
  Cu  Cu191  1  0.216112  0.250114  0.407065  1
  Cu  Cu192  1  0.192300  0.496879  0.444618  1
  Cu  Cu193  1  0.380608  0.193446  0.431452  1
  Cu  Cu194  1  0.571046  0.281083  0.394516  1
  Cu  Cu195  1  0.715882  0.250489  0.407177  1
  Cu  Cu196  1  0.737526  0.614202  0.394333  1
  Cu  Cu197  1  0.880771  0.193453  0.431574  1
  Cu  Cu198  1  0.071533  0.280553  0.394089  1
  Cu  Cu199  1  0.523833  0.773358  0.469519  1
  Cu  Cu200  1  0.023868  0.773167  0.469510  1
  Cu  Cu201  1  0.168551  0.743380  0.482324  1
  Cu  Cu202  1  0.357225  0.439753  0.469392  1
  Cu  Cu203  1  0.358757  0.830459  0.444713  1
  Cu  Cu204  1  0.501788  0.410086  0.482244  1
  Cu  Cu205  1  0.668539  0.743472  0.482317  1
  Cu  Cu206  1  0.857282  0.439897  0.469472  1
  Cu  Cu207  1  0.858797  0.830533  0.444719  1
  Cu  Cu208  1  1.001865  0.410142  0.482297  1
  Cu  Cu209  1  0.190470  0.106488  0.469548  1
  Cu  Cu210  1  0.166895  0.352911  0.507181  1
  Cu  Cu211  1  0.335285  0.076738  0.482311  1
  Cu  Cu212  1  0.525412  0.163889  0.444582  1
  Cu  Cu213  1  0.690481  0.106571  0.469486  1
  Cu  Cu214  1  0.692188  0.497231  0.444715  1
  Cu  Cu215  1  0.835214  0.076742  0.482343  1
  Cu  Cu216  1  0.025529  0.163720  0.444688  1
  Cu  Cu217  1  0.478229  0.656533  0.519977  1
  Cu  Cu218  1  0.978285  0.656511  0.519971  1
  Cu  Cu219  1  0.143284  0.599312  0.544857  1
  Cu  Cu220  1  0.311663  0.323128  0.519994  1
  Cu  Cu221  1  0.333650  0.686232  0.507157  1
  Cu  Cu222  1  0.476612  0.265877  0.544754  1
  Cu  Cu223  1  0.643340  0.599124  0.544812  1
  Cu  Cu224  1  0.811657  0.323139  0.520011  1
  Cu  Cu225  1  0.833674  0.686258  0.507175  1
  Cu  Cu226  1  0.976605  0.266005  0.544735  1
  Cu  Cu227  1  0.145016  0.989790  0.519967  1
  Cu  Cu228  1  0.121361  0.236358  0.557677  1
  Cu  Cu229  1  0.309994  0.932514  0.544752  1
  Cu  Cu230  1  0.500201  0.019617  0.507077  1
  Cu  Cu231  1  0.645003  0.989827  0.519975  1
  Cu  Cu232  1  0.667010  0.352922  0.507201  1
  Cu  Cu233  1  0.809985  0.932481  0.544820  1
  Cu  Cu234  1  1.000200  0.019556  0.507114  1
  Cu  Cu235  1  0.452948  0.512582  0.582311  1
  Cu  Cu236  1  0.952851  0.512644  0.582278  1
  Cu  Cu237  1  0.097823  0.482947  0.595124  1
  Cu  Cu238  1  0.286370  0.179167  0.582363  1
  Cu  Cu239  1  0.288056  0.569601  0.557927  1
  Cu  Cu240  1  0.431370  0.149018  0.595119  1
  Cu  Cu241  1  0.597885  0.482235  0.595158  1
  Cu  Cu242  1  0.786266  0.179159  0.582407  1
  Cu  Cu243  1  0.788201  0.569542  0.557926  1
  Cu  Cu244  1  0.931529  0.148611  0.595404  1
  Cu  Cu245  1  0.119699  0.846160  0.582555  1
  Cu  Cu246  1  0.095683  0.092408  0.619114  1
  Cu  Cu247  1  0.264180  0.815861  0.595365  1
  Cu  Cu248  1  0.454876  0.902828  0.557821  1
  Cu  Cu249  1  0.619582  0.845850  0.582361  1
  Cu  Cu250  1  0.621494  0.236255  0.557869  1
  Cu  Cu251  1  0.764557  0.815422  0.595185  1
  Cu  Cu252  1  0.954741  0.902934  0.557861  1
  Cu  Cu253  1  0.406788  0.396704  0.633356  1
  Cu  Cu254  1  0.906905  0.395730  0.633590  1
  Cu  Cu255  1  0.072529  0.340054  0.657120  1
  Cu  Cu256  1  0.241038  0.063260  0.632840  1
  Cu  Cu257  1  0.262825  0.425645  0.620063  1
  Cu  Cu258  1  0.406005  0.004666  0.657669  1
  Cu  Cu259  1  0.572817  0.337791  0.657551  1
  Cu  Cu260  1  0.740049  0.063319  0.633330  1
  Cu  Cu261  1  0.762822  0.425298  0.619991  1
  Cu  Cu262  1  0.905860  0.004445  0.657664  1
  Cu  Cu263  1  0.073487  0.729542  0.633472  1
  Cu  Cu264  1  0.048784  0.970642  0.671303  1
  Cu  Cu265  1  0.239797  0.670836  0.657559  1
  Cu  Cu266  1  0.429639  0.758666  0.619896  1
  Cu  Cu267  1  0.573483  0.730045  0.633309  1
  Cu  Cu268  1  0.596049  0.092101  0.619913  1
  Cu  Cu269  1  0.739377  0.671106  0.657569  1
  Cu  Cu270  1  0.929493  0.758875  0.620065  1
  Cu  Cu271  1  0.384894  0.254098  0.695228  1
  Cu  Cu272  1  0.883434  0.256134  0.694901  1
  Cu  Cu273  1  0.026456  0.224045  0.708472  1
  Cu  Cu274  1  0.220433  0.921229  0.695753  1
  Cu  Cu275  1  0.218344  0.307432  0.670043  1
  Cu  Cu276  1  0.360089  0.893261  0.707371  1
  Cu  Cu277  1  0.525714  0.227068  0.707546  1
  Cu  Cu278  1  0.718223  0.920542  0.695351  1
  Cu  Cu279  1  0.717989  0.305572  0.670269  1
  Cu  Cu280  1  0.860379  0.891948  0.708017  1
  Cu  Cu281  1  0.051885  0.586622  0.695657  1
  Cu  Cu282  1  0.021684  0.847873  0.727195  1
  Cu  Cu283  1  0.192147  0.557387  0.707636  1
  Cu  Cu284  1  0.384002  0.639536  0.670480  1
  Cu  Cu285  1  0.551812  0.587281  0.695306  1
  Cu  Cu286  1  0.551050  0.972237  0.670257  1
  Cu  Cu287  1  0.692179  0.560102  0.707593  1
  Cu  Cu288  1  0.884554  0.638710  0.670534  1
