# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.57421257
_cell_length_b   15.56728939
_cell_length_c   47.15580355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr189 Cu63'
_cell_volume   10878.189247
_cell_formula_units_Z   63
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  0.818265  0.153965  0.295009  1
  Zr  Zr2  1  0.151598  0.820632  0.295009  1
  Zr  Zr3  1  0.202162  0.216652  0.280380  1
  Zr  Zr4  1  0.441362  0.101316  0.311564  1
  Zr  Zr5  1  0.774696  0.767983  0.311564  1
  Zr  Zr6  1  0.108029  0.434650  0.311564  1
  Zr  Zr7  1  0.484932  0.487299  0.295009  1
  Zr  Zr8  1  0.535495  0.883319  0.280380  1
  Zr  Zr9  1  0.868829  0.549986  0.280380  1
  Zr  Zr10  1  0.004961  0.174537  0.284039  1
  Zr  Zr11  1  0.338294  0.841203  0.284039  1
  Zr  Zr12  1  0.253525  0.090906  0.330629  1
  Zr  Zr13  1  0.627740  0.128229  0.305796  1
  Zr  Zr14  1  0.961074  0.794896  0.305796  1
  Zr  Zr15  1  0.294407  0.461562  0.305796  1
  Zr  Zr16  1  0.671627  0.507870  0.284039  1
  Zr  Zr17  1  0.586858  0.757573  0.330629  1
  Zr  Zr18  1  0.920192  0.424240  0.330629  1
  Zr  Zr19  1  0.837783  0.343660  0.283923  1
  Zr  Zr20  1  0.171117  0.010327  0.283923  1
  Zr  Zr21  1  0.083570  0.255137  0.331504  1
  Zr  Zr22  1  0.462749  0.292816  0.306091  1
  Zr  Zr23  1  0.796082  0.959482  0.306091  1
  Zr  Zr24  1  0.129415  0.626149  0.306091  1
  Zr  Zr25  1  0.504450  0.676994  0.283923  1
  Zr  Zr26  1  0.416904  0.921803  0.331504  1
  Zr  Zr27  1  0.750237  0.588470  0.331504  1
  Zr  Zr28  1  0.699581  0.032864  0.362135  1
  Zr  Zr29  1  0.032914  0.699531  0.362135  1
  Zr  Zr30  1  0.068666  0.068774  0.339314  1
  Zr  Zr31  1  0.324929  0.995281  0.386434  1
  Zr  Zr32  1  0.658262  0.661947  0.386434  1
  Zr  Zr33  1  0.991595  0.328614  0.386434  1
  Zr  Zr34  1  0.366248  0.366198  0.362135  1
  Zr  Zr35  1  0.402000  0.735441  0.339314  1
  Zr  Zr36  1  0.735333  0.402108  0.339314  1
  Zr  Zr37  1  0.883097  0.051212  0.350173  1
  Zr  Zr38  1  0.216430  0.717879  0.350173  1
  Zr  Zr39  1  0.138205  0.972709  0.395319  1
  Zr  Zr40  1  0.512569  0.012305  0.371246  1
  Zr  Zr41  1  0.845902  0.678971  0.371246  1
  Zr  Zr42  1  0.179235  0.345638  0.371246  1
  Zr  Zr43  1  0.549763  0.384545  0.350173  1
  Zr  Zr44  1  0.471538  0.639376  0.395319  1
  Zr  Zr45  1  0.804872  0.306042  0.395319  1
  Zr  Zr46  1  0.716172  0.217235  0.350307  1
  Zr  Zr47  1  0.049505  0.883901  0.350307  1
  Zr  Zr48  1  0.971860  0.139771  0.395152  1
  Zr  Zr49  1  0.349495  0.177822  0.371484  1
  Zr  Zr50  1  0.682828  0.844489  0.371484  1
  Zr  Zr51  1  0.016162  0.511156  0.371484  1
  Zr  Zr52  1  0.382839  0.550568  0.350307  1
  Zr  Zr53  1  0.305194  0.806438  0.395152  1
  Zr  Zr54  1  0.638527  0.473105  0.395152  1
  Zr  Zr55  1  0.579035  0.912129  0.427434  1
  Zr  Zr56  1  0.912369  0.578796  0.427434  1
  Zr  Zr57  1  0.951726  0.953016  0.406263  1
  Zr  Zr58  1  0.206587  0.873448  0.450959  1
  Zr  Zr59  1  0.539920  0.540114  0.450959  1
  Zr  Zr60  1  0.873253  0.206781  0.450959  1
  Zr  Zr61  1  0.245702  0.245463  0.427434  1
  Zr  Zr62  1  0.285059  0.619683  0.406263  1
  Zr  Zr63  1  0.618392  0.286350  0.406263  1
  Zr  Zr64  1  0.765499  0.932833  0.417747  1
  Zr  Zr65  1  0.098832  0.599500  0.417747  1
  Zr  Zr66  1  0.020503  0.854191  0.462163  1
  Zr  Zr67  1  0.392751  0.893023  0.440850  1
  Zr  Zr68  1  0.726084  0.559690  0.440850  1
  Zr  Zr69  1  0.059417  0.226357  0.440850  1
  Zr  Zr70  1  0.432166  0.266166  0.417747  1
  Zr  Zr71  1  0.353836  0.520857  0.462163  1
  Zr  Zr72  1  0.687169  0.187524  0.462163  1
  Zr  Zr73  1  0.598182  0.099340  0.417539  1
  Zr  Zr74  1  0.931515  0.766007  0.417539  1
  Zr  Zr75  1  0.853903  0.021010  0.462386  1
  Zr  Zr76  1  0.224885  0.060089  0.441168  1
  Zr  Zr77  1  0.558218  0.726755  0.441168  1
  Zr  Zr78  1  0.891551  0.393422  0.441168  1
  Zr  Zr79  1  0.264848  0.432673  0.417539  1
  Zr  Zr80  1  0.187237  0.687676  0.462386  1
  Zr  Zr81  1  0.520570  0.354343  0.462386  1
  Zr  Zr82  1  0.461891  0.796527  0.496718  1
  Zr  Zr83  1  0.795224  0.463194  0.496718  1
  Zr  Zr84  1  0.834752  0.835173  0.473686  1
  Zr  Zr85  1  0.088985  0.756607  0.518327  1
  Zr  Zr86  1  0.422319  0.423274  0.518327  1
  Zr  Zr87  1  0.755652  0.089941  0.518327  1
  Zr  Zr88  1  0.128557  0.129861  0.496718  1
  Zr  Zr89  1  0.168085  0.501840  0.473686  1
  Zr  Zr90  1  0.501419  0.168506  0.473686  1
  Zr  Zr91  1  0.648365  0.815985  0.484240  1
  Zr  Zr92  1  0.981698  0.482651  0.484240  1
  Zr  Zr93  1  0.902723  0.736589  0.529469  1
  Zr  Zr94  1  0.275334  0.776500  0.506911  1
  Zr  Zr95  1  0.608668  0.443167  0.506911  1
  Zr  Zr96  1  0.942001  0.109834  0.506911  1
  Zr  Zr97  1  0.315031  0.149318  0.484240  1
  Zr  Zr98  1  0.236056  0.403256  0.529469  1
  Zr  Zr99  1  0.569390  0.069922  0.529469  1
  Zr  Zr100  1  0.482390  0.982119  0.484185  1
  Zr  Zr101  1  0.815723  0.648785  0.484185  1
  Zr  Zr102  1  0.735996  0.903374  0.529442  1
  Zr  Zr103  1  0.108858  0.942901  0.506750  1
  Zr  Zr104  1  0.442192  0.609568  0.506750  1
  Zr  Zr105  1  0.775525  0.276234  0.506750  1
  Zr  Zr106  1  0.149056  0.315452  0.484185  1
  Zr  Zr107  1  0.069330  0.570040  0.529442  1
  Zr  Zr108  1  0.402663  0.236707  0.529442  1
  Zr  Zr109  1  0.343608  0.677327  0.562374  1
  Zr  Zr110  1  0.676941  0.343994  0.562374  1
  Zr  Zr111  1  0.716308  0.716760  0.540141  1
  Zr  Zr112  1  0.971418  0.638601  0.585383  1
  Zr  Zr113  1  0.304752  0.305268  0.585383  1
  Zr  Zr114  1  0.638085  0.971935  0.585383  1
  Zr  Zr115  1  0.010274  0.010660  0.562374  1
  Zr  Zr116  1  0.049642  0.383426  0.540141  1
  Zr  Zr117  1  0.382975  0.050093  0.540141  1
  Zr  Zr118  1  0.530084  0.696909  0.552028  1
  Zr  Zr119  1  0.863417  0.363576  0.552028  1
  Zr  Zr120  1  0.785276  0.619373  0.596281  1
  Zr  Zr121  1  0.157532  0.657784  0.574298  1
  Zr  Zr122  1  0.490865  0.324451  0.574298  1
  Zr  Zr123  1  0.824199  0.991118  0.574298  1
  Zr  Zr124  1  0.196751  0.030242  0.552028  1
  Zr  Zr125  1  0.118609  0.286040  0.596281  1
  Zr  Zr126  1  0.451943  0.952707  0.596281  1
  Zr  Zr127  1  0.363057  0.863967  0.552158  1
  Zr  Zr128  1  0.696390  0.530634  0.552158  1
  Zr  Zr129  1  0.618674  0.785872  0.596230  1
  Zr  Zr130  1  0.990464  0.824765  0.574351  1
  Zr  Zr131  1  0.323797  0.491431  0.574351  1
  Zr  Zr132  1  0.657130  0.158098  0.574351  1
  Zr  Zr133  1  0.029724  0.197300  0.552158  1
  Zr  Zr134  1  0.952007  0.452539  0.596230  1
  Zr  Zr135  1  0.285341  0.119205  0.596230  1
  Zr  Zr136  1  0.226499  0.560552  0.630844  1
  Zr  Zr137  1  0.559832  0.227218  0.630844  1
  Zr  Zr138  1  0.598908  0.599667  0.607943  1
  Zr  Zr139  1  0.853023  0.520202  0.652097  1
  Zr  Zr140  1  0.186356  0.186868  0.652097  1
  Zr  Zr141  1  0.519689  0.853535  0.652097  1
  Zr  Zr142  1  0.893166  0.893885  0.630844  1
  Zr  Zr143  1  0.932241  0.266333  0.607943  1
  Zr  Zr144  1  0.265574  0.933000  0.607943  1
  Zr  Zr145  1  0.412472  0.580379  0.618243  1
  Zr  Zr146  1  0.745805  0.247045  0.618243  1
  Zr  Zr147  1  0.667432  0.500217  0.663640  1
  Zr  Zr148  1  0.040306  0.540532  0.641284  1
  Zr  Zr149  1  0.373640  0.207199  0.641284  1
  Zr  Zr150  1  0.706973  0.873865  0.641284  1
  Zr  Zr151  1  0.079138  0.913712  0.618243  1
  Zr  Zr152  1  1.000765  0.166884  0.663640  1
  Zr  Zr153  1  0.334098  0.833550  0.663640  1
  Zr  Zr154  1  0.246453  0.746456  0.618196  1
  Zr  Zr155  1  0.579786  0.413122  0.618196  1
  Zr  Zr156  1  0.499713  0.667931  0.663670  1
  Zr  Zr157  1  0.873404  0.707547  0.641292  1
  Zr  Zr158  1  0.206737  0.374214  0.641292  1
  Zr  Zr159  1  0.540071  0.040880  0.641292  1
  Zr  Zr160  1  0.913120  0.079789  0.618196  1
  Zr  Zr161  1  0.833046  0.334597  0.663670  1
  Zr  Zr162  1  0.166379  1.001264  0.663670  1
  Zr  Zr163  1  0.106295  0.440125  0.696674  1
  Zr  Zr164  1  0.439628  0.106791  0.696674  1
  Zr  Zr165  1  0.480846  0.481261  0.673255  1
  Zr  Zr166  1  0.735996  0.403143  0.719606  1
  Zr  Zr167  1  0.069330  0.069810  0.719606  1
  Zr  Zr168  1  0.402663  0.736477  0.719606  1
  Zr  Zr169  1  0.772962  0.773458  0.696674  1
  Zr  Zr170  1  0.814179  0.147927  0.673255  1
  Zr  Zr171  1  0.147513  0.814594  0.673255  1
  Zr  Zr172  1  0.295543  0.459986  0.686993  1
  Zr  Zr173  1  0.628876  0.126653  0.686993  1
  Zr  Zr174  1  0.552024  0.387156  0.728627  1
  Zr  Zr175  1  0.923021  0.421937  0.707798  1
  Zr  Zr176  1  0.256354  0.088603  0.707798  1
  Zr  Zr177  1  0.589688  0.755270  0.707798  1
  Zr  Zr178  1  0.962209  0.793319  0.686993  1
  Zr  Zr179  1  0.885358  0.053822  0.728627  1
  Zr  Zr180  1  0.218691  0.720489  0.728627  1
  Zr  Zr181  1  0.125997  0.629419  0.687006  1
  Zr  Zr182  1  0.459330  0.296086  0.687006  1
  Zr  Zr183  1  0.386839  0.552361  0.728632  1
  Zr  Zr184  1  0.754730  0.590171  0.707782  1
  Zr  Zr185  1  0.088063  0.256838  0.707782  1
  Zr  Zr186  1  0.421397  0.923505  0.707782  1
  Zr  Zr187  1  0.792664  0.962752  0.687006  1
  Zr  Zr188  1  0.720172  0.219027  0.728632  1
  Zr  Zr189  1  0.053506  0.885694  0.728632  1
  Cu  Cu190  1  0.014169  0.350951  0.279530  1
  Cu  Cu191  1  0.347502  0.017617  0.279530  1
  Cu  Cu192  1  0.282141  0.278755  0.321166  1
  Cu  Cu193  1  0.650912  0.319134  0.298960  1
  Cu  Cu194  1  0.984246  0.985800  0.298960  1
  Cu  Cu195  1  0.317579  0.652467  0.298960  1
  Cu  Cu196  1  0.680835  0.684284  0.279530  1
  Cu  Cu197  1  0.615474  0.945422  0.321166  1
  Cu  Cu198  1  0.948808  0.612088  0.321166  1
  Cu  Cu199  1  0.901828  0.237736  0.339614  1
  Cu  Cu200  1  0.235162  0.904403  0.339614  1
  Cu  Cu201  1  0.157025  0.158672  0.385120  1
  Cu  Cu202  1  0.531906  0.197510  0.360977  1
  Cu  Cu203  1  0.865240  0.864176  0.360977  1
  Cu  Cu204  1  0.198573  0.530843  0.360977  1
  Cu  Cu205  1  0.568495  0.571069  0.339614  1
  Cu  Cu206  1  0.490358  0.825338  0.385120  1
  Cu  Cu207  1  0.823692  0.492005  0.385120  1
  Cu  Cu208  1  0.785345  0.119330  0.406408  1
  Cu  Cu209  1  0.118679  0.785996  0.406408  1
  Cu  Cu210  1  0.039838  0.040665  0.451363  1
  Cu  Cu211  1  0.413340  0.080583  0.428958  1
  Cu  Cu212  1  0.746674  0.747250  0.428958  1
  Cu  Cu213  1  0.080007  0.413916  0.428958  1
  Cu  Cu214  1  0.452012  0.452663  0.406408  1
  Cu  Cu215  1  0.373172  0.707332  0.451363  1
  Cu  Cu216  1  0.706505  0.373998  0.451363  1
  Cu  Cu217  1  0.667762  1.001585  0.473425  1
  Cu  Cu218  1  1.001095  0.668251  0.473425  1
  Cu  Cu219  1  0.922280  0.922935  0.518190  1
  Cu  Cu220  1  0.295018  0.962404  0.496058  1
  Cu  Cu221  1  0.628351  0.629070  0.496058  1
  Cu  Cu222  1  0.961685  0.295737  0.496058  1
  Cu  Cu223  1  0.334429  0.334918  0.473425  1
  Cu  Cu224  1  0.255614  0.589602  0.518190  1
  Cu  Cu225  1  0.588947  0.256268  0.518190  1
  Cu  Cu226  1  0.550008  0.883936  0.540590  1
  Cu  Cu227  1  0.883342  0.550603  0.540590  1
  Cu  Cu228  1  0.804717  0.805307  0.585323  1
  Cu  Cu229  1  0.177065  0.844356  0.562853  1
  Cu  Cu230  1  0.510398  0.511023  0.562853  1
  Cu  Cu231  1  0.843731  0.177690  0.562853  1
  Cu  Cu232  1  0.216675  0.217270  0.540590  1
  Cu  Cu233  1  0.138050  0.471974  0.585323  1
  Cu  Cu234  1  0.471384  0.138640  0.585323  1
  Cu  Cu235  1  0.432049  0.765973  0.607467  1
  Cu  Cu236  1  0.765383  0.432639  0.607467  1
  Cu  Cu237  1  0.686802  0.687358  0.652360  1
  Cu  Cu238  1  0.059352  0.726600  0.630193  1
  Cu  Cu239  1  0.392685  0.393267  0.630193  1
  Cu  Cu240  1  0.726019  0.059934  0.630193  1
  Cu  Cu241  1  0.098716  0.099306  0.607467  1
  Cu  Cu242  1  0.020135  0.354025  0.652360  1
  Cu  Cu243  1  0.353468  0.020692  0.652360  1
  Cu  Cu244  1  0.314009  0.647832  0.674951  1
  Cu  Cu245  1  0.647342  0.314498  0.674951  1
  Cu  Cu246  1  0.568026  0.568491  0.714715  1
  Cu  Cu247  1  0.938637  0.605850  0.692595  1
  Cu  Cu248  1  0.271970  0.272516  0.692595  1
  Cu  Cu249  1  0.605304  0.939183  0.692595  1
  Cu  Cu250  1  0.980675  0.981165  0.674951  1
  Cu  Cu251  1  0.901359  0.235158  0.714715  1
  Cu  Cu252  1  0.234693  0.901825  0.714715  1
