# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.27852550
_cell_length_b   12.01853584
_cell_length_c   46.83677008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.21820190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr81 Cu81'
_cell_volume   6078.40120288
_cell_formula_units_Z   81
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  0.735036  0.046447  0.305513  1
  Zr  Zr2  1  0.072254  0.699827  0.311037  1
  Zr  Zr3  1  0.102256  0.083280  0.292192  1
  Zr  Zr4  1  0.473098  0.108691  0.278840  1
  Zr  Zr5  1  0.807240  0.779736  0.276895  1
  Zr  Zr6  1  0.149906  0.441555  0.281010  1
  Zr  Zr7  1  0.400596  0.373838  0.309629  1
  Zr  Zr8  1  0.440928  0.748062  0.295840  1
  Zr  Zr9  1  0.776430  0.407833  0.295138  1
  Zr  Zr10  1  0.612988  0.933177  0.360038  1
  Zr  Zr11  1  0.940604  0.606038  0.357600  1
  Zr  Zr12  1  0.989941  0.964800  0.345107  1
  Zr  Zr13  1  0.360674  0.003187  0.329656  1
  Zr  Zr14  1  0.694902  0.669288  0.326910  1
  Zr  Zr15  1  0.021987  0.344119  0.325635  1
  Zr  Zr16  1  0.282138  0.260987  0.363137  1
  Zr  Zr17  1  0.317853  0.638831  0.343091  1
  Zr  Zr18  1  0.650012  0.309676  0.340926  1
  Zr  Zr19  1  0.488567  0.824651  0.414070  1
  Zr  Zr20  1  0.823651  0.492226  0.412767  1
  Zr  Zr21  1  0.858940  0.868949  0.391756  1
  Zr  Zr22  1  0.233736  0.900163  0.375887  1
  Zr  Zr23  1  0.569419  0.568253  0.375420  1
  Zr  Zr24  1  0.906809  0.227890  0.378966  1
  Zr  Zr25  1  0.151708  0.163780  0.409700  1
  Zr  Zr26  1  0.199782  0.523515  0.397642  1
  Zr  Zr27  1  0.528681  0.196152  0.394674  1
  Zr  Zr28  1  0.362397  0.721388  0.461716  1
  Zr  Zr29  1  0.695455  0.391645  0.459611  1
  Zr  Zr30  1  0.739778  0.755126  0.446296  1
  Zr  Zr31  1  0.117643  0.786153  0.430827  1
  Zr  Zr32  1  0.445851  0.458865  0.428105  1
  Zr  Zr33  1  0.776862  0.131009  0.425045  1
  Zr  Zr34  1  0.033968  0.049383  0.464474  1
  Zr  Zr35  1  0.068357  0.427496  0.443541  1
  Zr  Zr36  1  0.408103  0.083809  0.449184  1
  Zr  Zr37  1  0.243517  0.607357  0.516356  1
  Zr  Zr38  1  0.572852  0.280205  0.513402  1
  Zr  Zr39  1  0.614695  0.648672  0.496739  1
  Zr  Zr40  1  0.985740  0.690481  0.476714  1
  Zr  Zr41  1  0.326138  0.344925  0.482894  1
  Zr  Zr42  1  0.656550  0.017552  0.479585  1
  Zr  Zr43  1  0.903211  0.952855  0.510193  1
  Zr  Zr44  1  0.951114  0.312912  0.498102  1
  Zr  Zr45  1  0.278237  0.985086  0.494996  1
  Zr  Zr46  1  0.111926  0.511580  0.562274  1
  Zr  Zr47  1  0.452525  0.167036  0.568042  1
  Zr  Zr48  1  0.489545  0.542514  0.546666  1
  Zr  Zr49  1  0.866833  0.576492  0.531423  1
  Zr  Zr50  1  0.195377  0.248554  0.528619  1
  Zr  Zr51  1  0.534047  0.905911  0.533580  1
  Zr  Zr52  1  0.783465  0.838832  0.564998  1
  Zr  Zr53  1  0.821368  0.213924  0.543936  1
  Zr  Zr54  1  0.160948  0.870443  0.549528  1
  Zr  Zr55  1  0.995441  0.397885  0.617328  1
  Zr  Zr56  1  0.322559  0.070140  0.614072  1
  Zr  Zr57  1  0.370551  0.429352  0.601485  1
  Zr  Zr58  1  0.740978  0.472916  0.579383  1
  Zr  Zr59  1  0.077718  0.134296  0.583358  1
  Zr  Zr60  1  0.405707  0.805655  0.580373  1
  Zr  Zr61  1  0.660783  0.729958  0.617758  1
  Zr  Zr62  1  0.700780  0.101539  0.598352  1
  Zr  Zr63  1  0.029882  0.774197  0.595465  1
  Zr  Zr64  1  0.869350  0.293892  0.663483  1
  Zr  Zr65  1  0.206758  0.953237  0.667379  1
  Zr  Zr66  1  0.239479  0.334089  0.648015  1
  Zr  Zr67  1  0.616510  0.363985  0.632790  1
  Zr  Zr68  1  0.947945  0.037036  0.629960  1
  Zr  Zr69  1  0.287955  0.692054  0.635489  1
  Zr  Zr70  1  0.534213  0.628262  0.665089  1
  Zr  Zr71  1  0.580219  0.987980  0.652194  1
  Zr  Zr72  1  0.911024  0.658992  0.650166  1
  Zr  Zr73  1  0.755576  0.188709  0.714118  1
  Zr  Zr74  1  0.080474  0.854197  0.711855  1
  Zr  Zr75  1  0.127706  0.214105  0.700911  1
  Zr  Zr76  1  0.494777  0.249768  0.687525  1
  Zr  Zr77  1  0.828686  0.923896  0.683423  1
  Zr  Zr78  1  0.157459  0.598545  0.682161  1
  Zr  Zr79  1  0.423894  0.516721  0.717094  1
  Zr  Zr80  1  0.451561  0.892663  0.698058  1
  Zr  Zr81  1  0.788156  0.548545  0.698042  1
  Cu  Cu82  1  0.622592  0.262749  0.284099  1
  Cu  Cu83  1  0.969564  0.916325  0.288469  1
  Cu  Cu84  1  0.882756  0.184348  0.320394  1
  Cu  Cu85  1  0.255517  0.217737  0.304851  1
  Cu  Cu86  1  0.585939  0.892208  0.301383  1
  Cu  Cu87  1  0.916101  0.561969  0.297709  1
  Cu  Cu88  1  0.303210  0.590875  0.286113  1
  Cu  Cu89  1  0.333113  0.956647  0.273671  1
  Cu  Cu90  1  0.540736  0.526400  0.313526  1
  Cu  Cu91  1  0.511702  0.155132  0.335013  1
  Cu  Cu92  1  0.836919  0.830302  0.331465  1
  Cu  Cu93  1  0.752869  0.091319  0.364405  1
  Cu  Cu94  1  0.125520  0.124967  0.349381  1
  Cu  Cu95  1  0.467686  0.784488  0.354835  1
  Cu  Cu96  1  0.802079  0.447456  0.354738  1
  Cu  Cu97  1  0.179936  0.480527  0.339444  1
  Cu  Cu98  1  0.206345  0.862337  0.313289  1
  Cu  Cu99  1  0.424120  0.418029  0.368614  1
  Cu  Cu100  1  0.388183  0.038884  0.390688  1
  Cu  Cu101  1  0.716914  0.712217  0.387625  1
  Cu  Cu102  1  0.633600  0.974985  0.420155  1
  Cu  Cu103  1  0.014223  0.003866  0.406317  1
  Cu  Cu104  1  0.341119  0.681245  0.401622  1
  Cu  Cu105  1  0.671403  0.352829  0.399209  1
  Cu  Cu106  1  0.045096  0.388221  0.383402  1
  Cu  Cu107  1  0.095576  0.740983  0.372791  1
  Cu  Cu108  1  0.305204  0.300085  0.424514  1
  Cu  Cu109  1  0.254505  0.945887  0.434307  1
  Cu  Cu110  1  0.592173  0.608903  0.435515  1
  Cu  Cu111  1  0.512786  0.863352  0.474838  1
  Cu  Cu112  1  0.879860  0.913734  0.449508  1
  Cu  Cu113  1  0.223242  0.562602  0.458281  1
  Cu  Cu114  1  0.551380  0.238631  0.453870  1
  Cu  Cu115  1  0.931255  0.267540  0.439852  1
  Cu  Cu116  1  0.962268  0.650888  0.415961  1
  Cu  Cu117  1  0.171041  0.209375  0.467851  1
  Cu  Cu118  1  0.140790  0.825436  0.491602  1
  Cu  Cu119  1  0.467986  0.501661  0.486902  1
  Cu  Cu120  1  0.382879  0.766158  0.519924  1
  Cu  Cu121  1  0.761243  0.796205  0.506111  1
  Cu  Cu122  1  0.088526  0.472480  0.501492  1
  Cu  Cu123  1  0.432318  0.122050  0.509800  1
  Cu  Cu124  1  0.797226  0.175638  0.483323  1
  Cu  Cu125  1  0.846176  0.531817  0.473193  1
  Cu  Cu126  1  0.058286  0.088551  0.525226  1
  Cu  Cu127  1  0.006101  0.735203  0.534821  1
  Cu  Cu128  1  0.349611  0.384108  0.543609  1
  Cu  Cu129  1  0.267325  0.646964  0.577075  1
  Cu  Cu130  1  0.637250  0.688108  0.558042  1
  Cu  Cu131  1  0.974661  0.352191  0.558823  1
  Cu  Cu132  1  0.298163  0.030373  0.553260  1
  Cu  Cu133  1  0.677900  0.059187  0.539142  1
  Cu  Cu134  1  0.716904  0.434039  0.518457  1
  Cu  Cu135  1  0.924265  0.997593  0.568583  1
  Cu  Cu136  1  0.888526  0.616580  0.591520  1
  Cu  Cu137  1  0.215229  0.294171  0.586837  1
  Cu  Cu138  1  0.133505  0.557105  0.620338  1
  Cu  Cu139  1  0.512262  0.586137  0.605003  1
  Cu  Cu140  1  0.841654  0.258484  0.602440  1
  Cu  Cu141  1  0.184464  0.909814  0.609596  1
  Cu  Cu142  1  0.557925  0.945116  0.593905  1
  Cu  Cu143  1  0.595626  0.322953  0.572757  1
  Cu  Cu144  1  0.806191  0.880075  0.624356  1
  Cu  Cu145  1  0.762201  0.512717  0.638713  1
  Cu  Cu146  1  0.104496  0.173080  0.643715  1
  Cu  Cu147  1  0.023335  0.435559  0.679953  1
  Cu  Cu148  1  0.393098  0.467442  0.662074  1
  Cu  Cu149  1  0.718343  0.142642  0.657887  1
  Cu  Cu150  1  0.048598  0.817399  0.653486  1
  Cu  Cu151  1  0.426963  0.851238  0.638214  1
  Cu  Cu152  1  0.476438  0.206292  0.628638  1
  Cu  Cu153  1  0.686673  0.769489  0.680998  1
  Cu  Cu154  1  0.642037  0.407357  0.691525  1
  Cu  Cu155  1  0.974052  0.079665  0.688429  1
  Cu  Cu156  1  0.897332  0.339337  0.719533  1
  Cu  Cu157  1  0.260208  0.381627  0.704620  1
  Cu  Cu158  1  0.607771  0.033404  0.709516  1
  Cu  Cu159  1  0.925601  0.706516  0.707166  1
  Cu  Cu160  1  0.319916  0.733906  0.696337  1
  Cu  Cu161  1  0.345812  0.114097  0.672329  1
  Cu  Cu162  1  0.558186  0.677062  0.720126  1
