# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.27859240
_cell_length_b   14.57551743
_cell_length_c   47.48409045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.49871823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr132 Cu66'
_cell_volume   8600.99667888
_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  0.854504  0.105324  0.298284  1
  Zr  Zr2  1  0.527889  0.093135  0.299696  1
  Zr  Zr3  1  0.192813  0.093185  0.299635  1
  Zr  Zr4  1  0.981768  0.850227  0.313725  1
  Zr  Zr5  1  0.648264  0.846107  0.313340  1
  Zr  Zr6  1  0.319181  0.846016  0.313354  1
  Zr  Zr7  1  0.084825  0.644139  0.280247  1
  Zr  Zr8  1  0.758305  0.635313  0.281000  1
  Zr  Zr9  1  0.420584  0.635359  0.280962  1
  Zr  Zr10  1  0.889320  0.392398  0.294329  1
  Zr  Zr11  1  0.532327  0.392798  0.294317  1
  Zr  Zr12  1  0.205142  0.404383  0.295096  1
  Zr  Zr13  1  0.749254  0.983323  0.336358  1
  Zr  Zr14  1  0.413990  0.985734  0.336456  1
  Zr  Zr15  1  0.081480  0.983056  0.336420  1
  Zr  Zr16  1  0.868980  0.741806  0.354388  1
  Zr  Zr17  1  0.537806  0.738128  0.353648  1
  Zr  Zr18  1  0.203001  0.741692  0.354385  1
  Zr  Zr19  1  0.971926  0.540362  0.316698  1
  Zr  Zr20  1  0.640067  0.534154  0.315457  1
  Zr  Zr21  1  0.301622  0.540537  0.316719  1
  Zr  Zr22  1  0.758897  0.296190  0.336428  1
  Zr  Zr23  1  0.423533  0.293003  0.336953  1
  Zr  Zr24  1  0.097373  0.293119  0.336945  1
  Zr  Zr25  1  0.633953  0.877451  0.379401  1
  Zr  Zr26  1  0.302581  0.877556  0.379422  1
  Zr  Zr27  1  0.967817  0.878249  0.379854  1
  Zr  Zr28  1  0.755156  0.634987  0.397185  1
  Zr  Zr29  1  0.423774  0.634979  0.397168  1
  Zr  Zr30  1  0.088968  0.635999  0.397255  1
  Zr  Zr31  1  0.858340  0.432235  0.358900  1
  Zr  Zr32  1  0.523567  0.432237  0.358895  1
  Zr  Zr33  1  0.189672  0.434719  0.359772  1
  Zr  Zr34  1  0.646954  0.186735  0.374814  1
  Zr  Zr35  1  0.313991  0.185851  0.374238  1
  Zr  Zr36  1  0.980100  0.186691  0.374867  1
  Zr  Zr37  1  0.521428  0.771275  0.422034  1
  Zr  Zr38  1  0.188462  0.771326  0.421989  1
  Zr  Zr39  1  0.854416  0.771370  0.421993  1
  Zr  Zr40  1  0.643386  0.527287  0.438659  1
  Zr  Zr41  1  0.310127  0.528046  0.438876  1
  Zr  Zr42  1  0.975923  0.528048  0.438872  1
  Zr  Zr43  1  0.744744  0.324779  0.401842  1
  Zr  Zr44  1  0.410470  0.325339  0.401951  1
  Zr  Zr45  1  0.078475  0.325361  0.401956  1
  Zr  Zr46  1  0.532038  0.081835  0.417200  1
  Zr  Zr47  1  0.200106  0.081794  0.417186  1
  Zr  Zr48  1  0.866276  0.081247  0.417067  1
  Zr  Zr49  1  0.408342  0.664868  0.464112  1
  Zr  Zr50  1  0.074875  0.664668  0.464104  1
  Zr  Zr51  1  0.741186  0.664888  0.464104  1
  Zr  Zr52  1  0.530394  0.420681  0.480321  1
  Zr  Zr53  1  0.196636  0.420972  0.480571  1
  Zr  Zr54  1  0.863152  0.420695  0.480318  1
  Zr  Zr55  1  0.631490  0.217636  0.443065  1
  Zr  Zr56  1  0.298186  0.217994  0.443203  1
  Zr  Zr57  1  0.965282  0.217625  0.443065  1
  Zr  Zr58  1  0.420060  0.973927  0.459230  1
  Zr  Zr59  1  0.086540  0.974269  0.459107  1
  Zr  Zr60  1  0.753262  0.974238  0.459098  1
  Zr  Zr61  1  0.295548  0.557318  0.506174  1
  Zr  Zr62  1  0.961754  0.557307  0.506171  1
  Zr  Zr63  1  0.628667  0.557276  0.506177  1
  Zr  Zr64  1  0.417159  0.313923  0.522534  1
  Zr  Zr65  1  0.083313  0.313920  0.522535  1
  Zr  Zr66  1  0.750294  0.313807  0.522475  1
  Zr  Zr67  1  0.518384  0.110928  0.485011  1
  Zr  Zr68  1  0.185204  0.110924  0.485013  1
  Zr  Zr69  1  0.851882  0.110731  0.484964  1
  Zr  Zr70  1  0.306610  0.867533  0.501052  1
  Zr  Zr71  1  0.973327  0.867545  0.501104  1
  Zr  Zr72  1  0.640089  0.867542  0.501042  1
  Zr  Zr73  1  0.182189  0.450433  0.548042  1
  Zr  Zr74  1  0.848728  0.450455  0.548066  1
  Zr  Zr75  1  0.515612  0.450454  0.548067  1
  Zr  Zr76  1  0.303818  0.206895  0.564704  1
  Zr  Zr77  1  0.970458  0.206751  0.564676  1
  Zr  Zr78  1  0.637318  0.206754  0.564679  1
  Zr  Zr79  1  0.405181  0.004296  0.527040  1
  Zr  Zr80  1  0.071922  0.004243  0.527018  1
  Zr  Zr81  1  0.738473  0.004240  0.527019  1
  Zr  Zr82  1  0.193884  0.759991  0.543113  1
  Zr  Zr83  1  0.860536  0.759987  0.543113  1
  Zr  Zr84  1  0.527179  0.760080  0.543131  1
  Zr  Zr85  1  0.069382  0.342719  0.589920  1
  Zr  Zr86  1  0.736105  0.342753  0.589933  1
  Zr  Zr87  1  0.402864  0.342721  0.589922  1
  Zr  Zr88  1  0.190909  0.099370  0.606218  1
  Zr  Zr89  1  0.857644  0.099329  0.606208  1
  Zr  Zr90  1  0.524334  0.099370  0.606219  1
  Zr  Zr91  1  0.291942  0.897558  0.568456  1
  Zr  Zr92  1  0.958612  0.897535  0.568448  1
  Zr  Zr93  1  0.625266  0.897560  0.568457  1
  Zr  Zr94  1  0.080818  0.652998  0.585177  1
  Zr  Zr95  1  0.747527  0.652994  0.585211  1
  Zr  Zr96  1  0.414117  0.653001  0.585212  1
  Zr  Zr97  1  0.955841  0.236718  0.633084  1
  Zr  Zr98  1  0.622588  0.236719  0.633085  1
  Zr  Zr99  1  0.289219  0.236711  0.633065  1
  Zr  Zr100  1  0.078332  0.991349  0.648609  1
  Zr  Zr101  1  0.745039  0.991352  0.648609  1
  Zr  Zr102  1  0.411672  0.991375  0.648609  1
  Zr  Zr103  1  0.179555  0.789109  0.609806  1
  Zr  Zr104  1  0.846231  0.789110  0.609806  1
  Zr  Zr105  1  0.512886  0.789134  0.609802  1
  Zr  Zr106  1  0.967726  0.546180  0.627529  1
  Zr  Zr107  1  0.634344  0.546206  0.627547  1
  Zr  Zr108  1  0.300977  0.546181  0.627530  1
  Zr  Zr109  1  0.842747  0.129623  0.673186  1
  Zr  Zr110  1  0.509440  0.129605  0.673175  1
  Zr  Zr111  1  0.176070  0.129606  0.673173  1
  Zr  Zr112  1  0.966602  0.881484  0.690113  1
  Zr  Zr113  1  0.633258  0.881498  0.690113  1
  Zr  Zr114  1  0.299926  0.881494  0.690111  1
  Zr  Zr115  1  0.066616  0.681872  0.652770  1
  Zr  Zr116  1  0.733295  0.681867  0.652770  1
  Zr  Zr117  1  0.399950  0.681865  0.652769  1
  Zr  Zr118  1  0.853923  0.440661  0.670773  1
  Zr  Zr119  1  0.520526  0.440663  0.670773  1
  Zr  Zr120  1  0.187236  0.440632  0.670749  1
  Zr  Zr121  1  0.725546  0.029761  0.712805  1
  Zr  Zr122  1  0.392195  0.029753  0.712804  1
  Zr  Zr123  1  0.058865  0.029759  0.712804  1
  Zr  Zr124  1  0.846250  0.788914  0.725986  1
  Zr  Zr125  1  0.512925  0.788907  0.725982  1
  Zr  Zr126  1  0.179607  0.788911  0.725986  1
  Zr  Zr127  1  0.952358  0.577282  0.693872  1
  Zr  Zr128  1  0.619008  0.577272  0.693873  1
  Zr  Zr129  1  0.285641  0.577279  0.693871  1
  Zr  Zr130  1  0.742692  0.329804  0.708051  1
  Zr  Zr131  1  0.409318  0.329801  0.708038  1
  Zr  Zr132  1  0.076066  0.329800  0.708036  1
  Cu  Cu133  1  0.107534  0.294298  0.281030  1
  Cu  Cu134  1  0.742309  0.329687  0.281799  1
  Cu  Cu135  1  0.413480  0.294077  0.281034  1
  Cu  Cu136  1  0.861735  0.756001  0.295185  1
  Cu  Cu137  1  0.533021  0.747705  0.294140  1
  Cu  Cu138  1  0.196036  0.755866  0.295150  1
  Cu  Cu139  1  0.975862  0.197803  0.315020  1
  Cu  Cu140  1  0.640006  0.197941  0.314915  1
  Cu  Cu141  1  0.306321  0.200848  0.312200  1
  Cu  Cu142  1  0.754167  0.640572  0.337440  1
  Cu  Cu143  1  0.419390  0.640394  0.337397  1
  Cu  Cu144  1  0.085490  0.642686  0.337155  1
  Cu  Cu145  1  0.865486  0.082980  0.356303  1
  Cu  Cu146  1  0.534341  0.081496  0.357218  1
  Cu  Cu147  1  0.197845  0.081791  0.357147  1
  Cu  Cu148  1  0.641443  0.531106  0.377334  1
  Cu  Cu149  1  0.307398  0.534001  0.378146  1
  Cu  Cu150  1  0.972521  0.534076  0.378131  1
  Cu  Cu151  1  0.749901  0.978766  0.398080  1
  Cu  Cu152  1  0.417467  0.979101  0.398160  1
  Cu  Cu153  1  0.085187  0.978695  0.398139  1
  Cu  Cu154  1  0.527173  0.426344  0.419453  1
  Cu  Cu155  1  0.193024  0.428176  0.420131  1
  Cu  Cu156  1  0.860653  0.426341  0.419456  1
  Cu  Cu157  1  0.637081  0.873050  0.440049  1
  Cu  Cu158  1  0.303935  0.873050  0.440071  1
  Cu  Cu159  1  0.970720  0.872726  0.440285  1
  Cu  Cu160  1  0.414235  0.319115  0.462023  1
  Cu  Cu161  1  0.080961  0.319140  0.462031  1
  Cu  Cu162  1  0.747889  0.318556  0.461911  1
  Cu  Cu163  1  0.524214  0.765896  0.482729  1
  Cu  Cu164  1  0.190917  0.765841  0.482603  1
  Cu  Cu165  1  0.857567  0.765818  0.482605  1
  Cu  Cu166  1  0.300811  0.212843  0.503975  1
  Cu  Cu167  1  0.967585  0.212482  0.503820  1
  Cu  Cu168  1  0.634385  0.212488  0.503827  1
  Cu  Cu169  1  0.411138  0.659072  0.524616  1
  Cu  Cu170  1  0.077813  0.658880  0.524554  1
  Cu  Cu171  1  0.744309  0.659068  0.524608  1
  Cu  Cu172  1  0.187349  0.106534  0.545761  1
  Cu  Cu173  1  0.854107  0.106360  0.545713  1
  Cu  Cu174  1  0.520702  0.106540  0.545761  1
  Cu  Cu175  1  0.298274  0.551588  0.567010  1
  Cu  Cu176  1  0.964886  0.551580  0.567008  1
  Cu  Cu177  1  0.631505  0.551731  0.567043  1
  Cu  Cu178  1  0.074952  0.998103  0.587918  1
  Cu  Cu179  1  0.741635  0.998106  0.587919  1
  Cu  Cu180  1  0.408248  0.998197  0.587923  1
  Cu  Cu181  1  0.185294  0.444361  0.608969  1
  Cu  Cu182  1  0.851910  0.444444  0.609025  1
  Cu  Cu183  1  0.518597  0.444451  0.609026  1
  Cu  Cu184  1  0.962447  0.889932  0.629218  1
  Cu  Cu185  1  0.629104  0.889968  0.629230  1
  Cu  Cu186  1  0.295759  0.889965  0.629227  1
  Cu  Cu187  1  0.070683  0.340377  0.650360  1
  Cu  Cu188  1  0.737324  0.340444  0.650387  1
  Cu  Cu189  1  0.404030  0.340378  0.650362  1
  Cu  Cu190  1  0.850333  0.780913  0.669292  1
  Cu  Cu191  1  0.517002  0.780914  0.669287  1
  Cu  Cu192  1  0.183675  0.780908  0.669291  1
  Cu  Cu193  1  0.959494  0.229826  0.692493  1
  Cu  Cu194  1  0.626142  0.229829  0.692493  1
  Cu  Cu195  1  0.292842  0.229777  0.692468  1
  Cu  Cu196  1  0.738837  0.670799  0.712426  1
  Cu  Cu197  1  0.405494  0.670791  0.712424  1
  Cu  Cu198  1  0.072154  0.670819  0.712435  1
