# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.61516485
_cell_length_b   13.64739330
_cell_length_c   50.22015770
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr162 Cu54'
_cell_volume   9284.70866455
_cell_formula_units_Z   54
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  0.939395  0.271178  0.306279  1
  Zr  Zr2  1  0.272729  0.937845  0.306279  1
  Zr  Zr3  1  0.295602  0.293627  0.345860  1
  Zr  Zr4  1  0.606062  0.604511  0.306279  1
  Zr  Zr5  1  0.628935  0.960294  0.345860  1
  Zr  Zr6  1  0.689562  0.354222  0.290381  1
  Zr  Zr7  1  0.962268  0.626960  0.345860  1
  Zr  Zr8  1  0.022895  0.020888  0.290381  1
  Zr  Zr9  1  0.356228  0.687555  0.290381  1
  Zr  Zr10  1  0.153314  0.315073  0.296134  1
  Zr  Zr11  1  0.486648  0.981740  0.296134  1
  Zr  Zr12  1  0.470475  0.299954  0.306606  1
  Zr  Zr13  1  0.819981  0.648406  0.296134  1
  Zr  Zr14  1  0.803808  0.966621  0.306606  1
  Zr  Zr15  1  0.761224  0.260323  0.344136  1
  Zr  Zr16  1  0.137141  0.633288  0.306606  1
  Zr  Zr17  1  0.094557  0.926990  0.344136  1
  Zr  Zr18  1  0.427890  0.593656  0.344136  1
  Zr  Zr19  1  0.983170  0.484615  0.296227  1
  Zr  Zr20  1  0.316503  0.151281  0.296227  1
  Zr  Zr21  1  0.301479  0.469036  0.306915  1
  Zr  Zr22  1  0.649836  0.817948  0.296227  1
  Zr  Zr23  1  0.634813  0.135703  0.306915  1
  Zr  Zr24  1  0.594992  0.426197  0.344089  1
  Zr  Zr25  1  0.968146  0.802369  0.306915  1
  Zr  Zr26  1  0.928325  0.092863  0.344089  1
  Zr  Zr27  1  0.261658  0.759530  0.344089  1
  Zr  Zr28  1  0.904428  0.235754  0.394718  1
  Zr  Zr29  1  0.237761  0.902420  0.394718  1
  Zr  Zr30  1  0.153672  0.153241  0.411860  1
  Zr  Zr31  1  0.571095  0.569087  0.394718  1
  Zr  Zr32  1  0.487005  0.819908  0.411860  1
  Zr  Zr33  1  0.545964  0.211895  0.360583  1
  Zr  Zr34  1  0.820339  0.486575  0.411860  1
  Zr  Zr35  1  0.879297  0.878562  0.360583  1
  Zr  Zr36  1  0.212631  0.545229  0.360583  1
  Zr  Zr37  1  0.081835  0.248764  0.357184  1
  Zr  Zr38  1  0.415169  0.915430  0.357184  1
  Zr  Zr39  1  0.368447  0.200296  0.399460  1
  Zr  Zr40  1  0.748502  0.582097  0.357184  1
  Zr  Zr41  1  0.701780  0.866962  0.399460  1
  Zr  Zr42  1  0.692069  0.190966  0.407556  1
  Zr  Zr43  1  0.035113  0.533629  0.399460  1
  Zr  Zr44  1  0.025402  0.857633  0.407556  1
  Zr  Zr45  1  0.358736  0.524300  0.407556  1
  Zr  Zr46  1  0.916630  0.413689  0.357341  1
  Zr  Zr47  1  0.249963  0.080355  0.357341  1
  Zr  Zr48  1  0.201187  0.367494  0.399382  1
  Zr  Zr49  1  0.583297  0.747022  0.357341  1
  Zr  Zr50  1  0.534520  0.034161  0.399382  1
  Zr  Zr51  1  0.525393  0.357520  0.407581  1
  Zr  Zr52  1  0.867853  0.700827  0.399382  1
  Zr  Zr53  1  0.858726  0.024186  0.407581  1
  Zr  Zr54  1  0.192059  0.690853  0.407581  1
  Zr  Zr55  1  0.762412  0.094733  0.463038  1
  Zr  Zr56  1  0.095746  0.761400  0.463038  1
  Zr  Zr57  1  0.120484  0.118811  0.498983  1
  Zr  Zr58  1  0.429079  0.428067  0.463038  1
  Zr  Zr59  1  0.453818  0.785478  0.498983  1
  Zr  Zr60  1  0.514251  0.179748  0.447669  1
  Zr  Zr61  1  0.787151  0.452145  0.498983  1
  Zr  Zr62  1  0.847584  0.846415  0.447669  1
  Zr  Zr63  1  0.180918  0.513082  0.447669  1
  Zr  Zr64  1  0.976394  0.141948  0.449756  1
  Zr  Zr65  1  0.309727  0.808615  0.449756  1
  Zr  Zr66  1  0.298291  0.130266  0.461259  1
  Zr  Zr67  1  0.643060  0.475281  0.449756  1
  Zr  Zr68  1  0.631624  0.796933  0.461259  1
  Zr  Zr69  1  0.584704  0.083019  0.502486  1
  Zr  Zr70  1  0.964957  0.463599  0.461259  1
  Zr  Zr71  1  0.918037  0.749686  0.502486  1
  Zr  Zr72  1  0.251371  0.416353  0.502486  1
  Zr  Zr73  1  0.810466  0.308435  0.449670  1
  Zr  Zr74  1  0.143800  0.975102  0.449670  1
  Zr  Zr75  1  0.130505  0.297470  0.461302  1
  Zr  Zr76  1  0.477133  0.641768  0.449670  1
  Zr  Zr77  1  0.463838  0.964136  0.461302  1
  Zr  Zr78  1  0.417155  0.250562  0.502508  1
  Zr  Zr79  1  0.797171  0.630803  0.461302  1
  Zr  Zr80  1  0.750488  0.917229  0.502508  1
  Zr  Zr81  1  0.083822  0.583895  0.502508  1
  Zr  Zr82  1  0.728727  0.061131  0.551866  1
  Zr  Zr83  1  0.062060  0.727797  0.551866  1
  Zr  Zr84  1  0.976888  0.976116  0.567234  1
  Zr  Zr85  1  0.395393  0.394464  0.551866  1
  Zr  Zr86  1  0.310221  0.642783  0.567234  1
  Zr  Zr87  1  0.370655  0.037053  0.515920  1
  Zr  Zr88  1  0.643555  0.309449  0.567234  1
  Zr  Zr89  1  0.703988  0.703719  0.515920  1
  Zr  Zr90  1  0.037321  0.370386  0.515920  1
  Zr  Zr91  1  0.906435  0.072845  0.512417  1
  Zr  Zr92  1  0.239768  0.739511  0.512417  1
  Zr  Zr93  1  0.192848  0.025598  0.553644  1
  Zr  Zr94  1  0.573102  0.406178  0.512417  1
  Zr  Zr95  1  0.526182  0.692265  0.553644  1
  Zr  Zr96  1  0.514745  0.013916  0.565147  1
  Zr  Zr97  1  0.859515  0.358932  0.553644  1
  Zr  Zr98  1  0.848079  0.680583  0.565147  1
  Zr  Zr99  1  0.181412  0.347250  0.565147  1
  Zr  Zr100  1  0.740651  0.238635  0.512395  1
  Zr  Zr101  1  0.073984  0.905302  0.512395  1
  Zr  Zr102  1  0.027301  0.191728  0.553601  1
  Zr  Zr103  1  0.407317  0.571969  0.512395  1
  Zr  Zr104  1  0.360634  0.858395  0.553601  1
  Zr  Zr105  1  0.347339  0.180762  0.565233  1
  Zr  Zr106  1  0.693968  0.525061  0.553601  1
  Zr  Zr107  1  0.680673  0.847429  0.565233  1
  Zr  Zr108  1  0.014006  0.514096  0.565233  1
  Zr  Zr109  1  0.586711  0.920111  0.620185  1
  Zr  Zr110  1  0.920044  0.586777  0.620185  1
  Zr  Zr111  1  0.945175  0.943969  0.654320  1
  Zr  Zr112  1  0.253378  0.253444  0.620185  1
  Zr  Zr113  1  0.278508  0.610636  0.654320  1
  Zr  Zr114  1  0.337467  0.002623  0.603043  1
  Zr  Zr115  1  0.611842  0.277302  0.654320  1
  Zr  Zr116  1  0.670800  0.669289  0.603043  1
  Zr  Zr117  1  0.004134  0.335956  0.603043  1
  Zr  Zr118  1  0.799070  0.964898  0.607347  1
  Zr  Zr119  1  0.132403  0.631565  0.607347  1
  Zr  Zr120  1  0.122692  0.955569  0.615443  1
  Zr  Zr121  1  0.465737  0.298231  0.607347  1
  Zr  Zr122  1  0.456026  0.622235  0.615443  1
  Zr  Zr123  1  0.409304  0.907101  0.657719  1
  Zr  Zr124  1  0.789359  0.288902  0.615443  1
  Zr  Zr125  1  0.742637  0.573767  0.657719  1
  Zr  Zr126  1  0.075970  0.240434  0.657719  1
  Zr  Zr127  1  0.632413  0.131678  0.607322  1
  Zr  Zr128  1  0.965746  0.798345  0.607322  1
  Zr  Zr129  1  0.956619  0.121704  0.615521  1
  Zr  Zr130  1  0.299080  0.465011  0.607322  1
  Zr  Zr131  1  0.289952  0.788370  0.615521  1
  Zr  Zr132  1  0.241176  0.075509  0.657562  1
  Zr  Zr133  1  0.623286  0.455037  0.615521  1
  Zr  Zr134  1  0.574509  0.742176  0.657562  1
  Zr  Zr135  1  0.907842  0.408842  0.657562  1
  Zr  Zr136  1  0.551744  0.884686  0.708624  1
  Zr  Zr137  1  0.885077  0.551353  0.708624  1
  Zr  Zr138  1  0.801577  0.801643  0.724522  1
  Zr  Zr139  1  0.218410  0.218020  0.708624  1
  Zr  Zr140  1  0.134911  0.468309  0.724522  1
  Zr  Zr141  1  0.195537  0.862237  0.669043  1
  Zr  Zr142  1  0.468244  0.134976  0.724522  1
  Zr  Zr143  1  0.528871  0.528904  0.669043  1
  Zr  Zr144  1  0.862204  0.195571  0.669043  1
  Zr  Zr145  1  0.729915  0.895541  0.670767  1
  Zr  Zr146  1  0.063249  0.562208  0.670767  1
  Zr  Zr147  1  0.020664  0.855910  0.708297  1
  Zr  Zr148  1  0.396582  0.228874  0.670767  1
  Zr  Zr149  1  0.353998  0.522577  0.708297  1
  Zr  Zr150  1  0.337825  0.840791  0.718769  1
  Zr  Zr151  1  0.687331  0.189243  0.708297  1
  Zr  Zr152  1  0.671158  0.507458  0.718769  1
  Zr  Zr153  1  0.004491  0.174125  0.718769  1
  Zr  Zr154  1  0.562814  0.063001  0.670814  1
  Zr  Zr155  1  0.896147  0.729668  0.670814  1
  Zr  Zr156  1  0.856326  0.020162  0.707988  1
  Zr  Zr157  1  0.229481  0.396334  0.670814  1
  Zr  Zr158  1  0.189660  0.686828  0.707988  1
  Zr  Zr159  1  0.174636  0.004583  0.718676  1
  Zr  Zr160  1  0.522993  0.353495  0.707988  1
  Zr  Zr161  1  0.507969  0.671250  0.718676  1
  Zr  Zr162  1  0.841303  0.337916  0.718676  1
  Cu  Cu163  1  0.102996  0.434528  0.337032  1
  Cu  Cu164  1  0.436330  0.101195  0.337032  1
  Cu  Cu165  1  0.485887  0.484294  0.292861  1
  Cu  Cu166  1  0.769663  0.767862  0.337032  1
  Cu  Cu167  1  0.819220  0.150961  0.292861  1
  Cu  Cu168  1  0.796140  0.461491  0.316327  1
  Cu  Cu169  1  0.152554  0.817628  0.292861  1
  Cu  Cu170  1  0.129473  0.128158  0.316327  1
  Cu  Cu171  1  0.462806  0.794824  0.316327  1
  Cu  Cu172  1  0.014442  0.347508  0.417838  1
  Cu  Cu173  1  0.347775  0.014174  0.417838  1
  Cu  Cu174  1  0.411560  0.410680  0.363464  1
  Cu  Cu175  1  0.681108  0.680841  0.417838  1
  Cu  Cu176  1  0.744893  0.077347  0.363464  1
  Cu  Cu177  1  0.711938  0.376929  0.387114  1
  Cu  Cu178  1  0.078227  0.744014  0.363464  1
  Cu  Cu179  1  0.045271  0.043596  0.387114  1
  Cu  Cu180  1  0.378605  0.710262  0.387114  1
  Cu  Cu181  1  0.927145  0.258759  0.492735  1
  Cu  Cu182  1  0.260478  0.925426  0.492735  1
  Cu  Cu183  1  0.315476  0.314672  0.442680  1
  Cu  Cu184  1  0.593811  0.592093  0.492735  1
  Cu  Cu185  1  0.648809  0.981339  0.442680  1
  Cu  Cu186  1  0.626248  0.291747  0.469428  1
  Cu  Cu187  1  0.982143  0.648005  0.442680  1
  Cu  Cu188  1  0.959581  0.958414  0.469428  1
  Cu  Cu189  1  0.292915  0.625080  0.469428  1
  Cu  Cu190  1  0.842330  0.174526  0.572223  1
  Cu  Cu191  1  0.175663  0.841192  0.572223  1
  Cu  Cu192  1  0.230661  0.230438  0.522168  1
  Cu  Cu193  1  0.508996  0.507859  0.572223  1
  Cu  Cu194  1  0.563994  0.897105  0.522168  1
  Cu  Cu195  1  0.531558  0.197450  0.545476  1
  Cu  Cu196  1  0.897328  0.563772  0.522168  1
  Cu  Cu197  1  0.864891  0.864117  0.545476  1
  Cu  Cu198  1  0.198224  0.530784  0.545476  1
  Cu  Cu199  1  0.746246  0.078517  0.651440  1
  Cu  Cu200  1  0.079579  0.745184  0.651440  1
  Cu  Cu201  1  0.143364  0.141690  0.597065  1
  Cu  Cu202  1  0.412912  0.411851  0.651440  1
  Cu  Cu203  1  0.476697  0.808356  0.597065  1
  Cu  Cu204  1  0.445868  0.112268  0.627789  1
  Cu  Cu205  1  0.810031  0.475023  0.597065  1
  Cu  Cu206  1  0.779201  0.778935  0.627789  1
  Cu  Cu207  1  0.112534  0.445602  0.627789  1
  Cu  Cu208  1  0.671919  0.004903  0.722042  1
  Cu  Cu209  1  0.005252  0.671570  0.722042  1
  Cu  Cu210  1  0.054809  0.054669  0.677871  1
  Cu  Cu211  1  0.338585  0.338237  0.722042  1
  Cu  Cu212  1  0.388143  0.721336  0.677871  1
  Cu  Cu213  1  0.361666  0.027707  0.698576  1
  Cu  Cu214  1  0.721476  0.388003  0.677871  1
  Cu  Cu215  1  0.694999  0.694373  0.698576  1
  Cu  Cu216  1  0.028333  0.361040  0.698576  1
