# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51217810
_cell_length_b   32.61631546
_cell_length_c   48.13495724
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.95537492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr108 Cu54'
_cell_volume   7067.17805808
_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  0.537399  0.093569  0.288599  1
  Zr  Zr2  1  0.703369  0.425667  0.303477  1
  Zr  Zr3  1  0.868860  0.756676  0.319054  1
  Zr  Zr4  1  1.004454  0.027562  0.286067  1
  Zr  Zr5  1  0.170068  0.359032  0.300305  1
  Zr  Zr6  1  0.335710  0.690354  0.316118  1
  Zr  Zr7  1  0.120470  0.259818  0.295619  1
  Zr  Zr8  1  0.286200  0.591352  0.311409  1
  Zr  Zr9  1  0.452225  0.923391  0.325729  1
  Zr  Zr10  1  0.587103  0.193035  0.292707  1
  Zr  Zr11  1  0.752938  0.524803  0.308220  1
  Zr  Zr12  1  0.918312  0.855544  0.323272  1
  Zr  Zr13  1  0.035858  0.090551  0.336273  1
  Zr  Zr14  1  0.201398  0.421727  0.351444  1
  Zr  Zr15  1  0.367194  0.753334  0.367229  1
  Zr  Zr16  1  0.501268  0.021386  0.334090  1
  Zr  Zr17  1  0.667089  0.353080  0.348198  1
  Zr  Zr18  1  0.832817  0.684568  0.364006  1
  Zr  Zr19  1  0.618571  0.256033  0.343643  1
  Zr  Zr20  1  0.784258  0.587467  0.359377  1
  Zr  Zr21  1  0.949922  0.918772  0.373839  1
  Zr  Zr22  1  0.084321  0.187497  0.340420  1
  Zr  Zr23  1  0.249941  0.518810  0.356114  1
  Zr  Zr24  1  0.415845  0.850603  0.371355  1
  Zr  Zr25  1  0.533117  0.085110  0.383095  1
  Zr  Zr26  1  0.698921  0.416790  0.398500  1
  Zr  Zr27  1  0.864760  0.748481  0.414185  1
  Zr  Zr28  1  0.998014  0.014902  0.378456  1
  Zr  Zr29  1  0.164681  0.348279  0.395241  1
  Zr  Zr30  1  0.330469  0.679882  0.411053  1
  Zr  Zr31  1  0.116110  0.251138  0.390714  1
  Zr  Zr32  1  0.281810  0.582584  0.406433  1
  Zr  Zr33  1  0.447161  0.913278  0.422765  1
  Zr  Zr34  1  0.581895  0.182670  0.387573  1
  Zr  Zr35  1  0.747528  0.513995  0.403147  1
  Zr  Zr36  1  0.913288  0.845508  0.418606  1
  Zr  Zr37  1  0.030180  0.079307  0.430543  1
  Zr  Zr38  1  0.196241  0.411464  0.446734  1
  Zr  Zr39  1  0.362137  0.743280  0.462586  1
  Zr  Zr40  1  0.496094  0.011109  0.427019  1
  Zr  Zr41  1  0.662319  0.343586  0.443519  1
  Zr  Zr42  1  0.828149  0.675272  0.459239  1
  Zr  Zr43  1  0.613396  0.245752  0.438911  1
  Zr  Zr44  1  0.779147  0.577291  0.454579  1
  Zr  Zr45  1  0.945030  0.909065  0.470278  1
  Zr  Zr46  1  0.079386  0.177702  0.435624  1
  Zr  Zr47  1  0.245176  0.509317  0.451367  1
  Zr  Zr48  1  0.410940  0.840859  0.467398  1
  Zr  Zr49  1  0.527920  0.074837  0.478051  1
  Zr  Zr50  1  0.693908  0.406831  0.494376  1
  Zr  Zr51  1  0.859782  0.738598  0.510041  1
  Zr  Zr52  1  0.993623  0.006221  0.474881  1
  Zr  Zr53  1  0.159633  0.338253  0.491122  1
  Zr  Zr54  1  0.325455  0.669922  0.506845  1
  Zr  Zr55  1  0.111010  0.241020  0.486445  1
  Zr  Zr56  1  0.276814  0.572656  0.502204  1
  Zr  Zr57  1  0.442556  0.904152  0.518078  1
  Zr  Zr58  1  0.576669  0.172315  0.483082  1
  Zr  Zr59  1  0.742519  0.504039  0.498945  1
  Zr  Zr60  1  0.908459  0.835931  0.514980  1
  Zr  Zr61  1  0.025448  0.069934  0.525706  1
  Zr  Zr62  1  0.191239  0.401528  0.541972  1
  Zr  Zr63  1  0.357091  0.733268  0.557810  1
  Zr  Zr64  1  0.491482  1.001975  0.522656  1
  Zr  Zr65  1  0.657270  0.333560  0.538735  1
  Zr  Zr66  1  0.823090  0.665233  0.554373  1
  Zr  Zr67  1  0.608284  0.235609  0.533989  1
  Zr  Zr68  1  0.774136  0.567339  0.549766  1
  Zr  Zr69  1  0.940405  0.899904  0.566586  1
  Zr  Zr70  1  0.074301  0.167616  0.530640  1
  Zr  Zr71  1  0.240186  0.499407  0.546582  1
  Zr  Zr72  1  0.406225  0.831520  0.562701  1
  Zr  Zr73  1  0.523199  0.065476  0.574189  1
  Zr  Zr74  1  0.688865  0.396808  0.590168  1
  Zr  Zr75  1  0.854613  0.728354  0.605683  1
  Zr  Zr76  1  0.989028  0.997117  0.570598  1
  Zr  Zr77  1  0.154564  0.328182  0.586885  1
  Zr  Zr78  1  0.320355  0.659806  0.602591  1
  Zr  Zr79  1  0.105898  0.230871  0.582201  1
  Zr  Zr80  1  0.271754  0.562606  0.598036  1
  Zr  Zr81  1  0.437998  0.895135  0.613695  1
  Zr  Zr82  1  0.571637  0.162326  0.578919  1
  Zr  Zr83  1  0.737496  0.494059  0.594781  1
  Zr  Zr84  1  0.903250  0.825627  0.610267  1
  Zr  Zr85  1  0.020552  0.060222  0.621744  1
  Zr  Zr86  1  0.186432  0.391954  0.637186  1
  Zr  Zr87  1  0.352221  0.723599  0.652848  1
  Zr  Zr88  1  0.486882  0.992861  0.617896  1
  Zr  Zr89  1  0.652080  0.323231  0.633898  1
  Zr  Zr90  1  0.817881  0.654884  0.649576  1
  Zr  Zr91  1  0.603497  0.226083  0.629243  1
  Zr  Zr92  1  0.769339  0.557792  0.645059  1
  Zr  Zr93  1  0.935303  0.889800  0.660417  1
  Zr  Zr94  1  0.069125  0.157335  0.625999  1
  Zr  Zr95  1  0.235009  0.489103  0.641828  1
  Zr  Zr96  1  0.400981  0.821140  0.657430  1
  Zr  Zr97  1  0.517674  0.054465  0.669554  1
  Zr  Zr98  1  0.683425  0.385941  0.685030  1
  Zr  Zr99  1  0.849273  0.717731  0.700536  1
  Zr  Zr100  1  0.983925  0.986975  0.668246  1
  Zr  Zr101  1  0.150108  0.319286  0.681840  1
  Zr  Zr102  1  0.315959  0.651051  0.697572  1
  Zr  Zr103  1  0.100525  0.220142  0.677113  1
  Zr  Zr104  1  0.266348  0.551813  0.692940  1
  Zr  Zr105  1  0.433773  0.886832  0.704878  1
  Zr  Zr106  1  0.567261  0.153599  0.674006  1
  Zr  Zr107  1  0.733027  0.485140  0.689768  1
  Zr  Zr108  1  0.898709  0.816649  0.704687  1
  Cu  Cu109  1  0.062215  0.143222  0.292363  1
  Cu  Cu110  1  0.228062  0.475049  0.307875  1
  Cu  Cu111  1  0.393507  0.805954  0.323365  1
  Cu  Cu112  1  0.482080  0.982674  0.287106  1
  Cu  Cu113  1  0.645179  0.309240  0.300014  1
  Cu  Cu114  1  0.810884  0.640707  0.315760  1
  Cu  Cu115  1  0.560129  0.139103  0.336879  1
  Cu  Cu116  1  0.725763  0.470454  0.351983  1
  Cu  Cu117  1  0.891558  0.802040  0.367339  1
  Cu  Cu118  1  0.975509  0.969961  0.324912  1
  Cu  Cu119  1  0.142908  0.304710  0.344070  1
  Cu  Cu120  1  0.308612  0.636165  0.359962  1
  Cu  Cu121  1  0.057629  0.134126  0.386315  1
  Cu  Cu122  1  0.223159  0.465258  0.401963  1
  Cu  Cu123  1  0.389079  0.797094  0.417761  1
  Cu  Cu124  1  0.473491  0.965889  0.377704  1
  Cu  Cu125  1  0.640327  0.299568  0.394142  1
  Cu  Cu126  1  0.806082  0.631113  0.409849  1
  Cu  Cu127  1  0.554884  0.128709  0.432717  1
  Cu  Cu128  1  0.720727  0.460425  0.448521  1
  Cu  Cu129  1  0.886585  0.792169  0.464199  1
  Cu  Cu130  1  0.971705  0.962339  0.424327  1
  Cu  Cu131  1  0.137897  0.294746  0.440692  1
  Cu  Cu132  1  0.303663  0.626310  0.456433  1
  Cu  Cu133  1  0.052294  0.123578  0.480439  1
  Cu  Cu134  1  0.218209  0.455426  0.496674  1
  Cu  Cu135  1  0.384148  0.787311  0.512972  1
  Cu  Cu136  1  0.469329  0.957652  0.472725  1
  Cu  Cu137  1  0.635331  0.289656  0.488818  1
  Cu  Cu138  1  0.801136  0.621291  0.504454  1
  Cu  Cu139  1  0.549835  0.118696  0.528619  1
  Cu  Cu140  1  0.715689  0.450422  0.544789  1
  Cu  Cu141  1  0.881529  0.782139  0.560308  1
  Cu  Cu142  1  0.966972  0.952966  0.520748  1
  Cu  Cu143  1  0.132756  0.284543  0.536879  1
  Cu  Cu144  1  0.298571  0.616203  0.552637  1
  Cu  Cu145  1  0.047394  0.113855  0.575428  1
  Cu  Cu146  1  0.213246  0.445568  0.591363  1
  Cu  Cu147  1  0.379013  0.777156  0.607368  1
  Cu  Cu148  1  0.464651  0.948382  0.567622  1
  Cu  Cu149  1  0.630287  0.279644  0.583418  1
  Cu  Cu150  1  0.796121  0.611341  0.599117  1
  Cu  Cu151  1  0.544710  0.108535  0.625609  1
  Cu  Cu152  1  0.710630  0.440350  0.641284  1
  Cu  Cu153  1  0.876417  0.772003  0.656408  1
  Cu  Cu154  1  0.962819  0.944753  0.617447  1
  Cu  Cu155  1  0.127697  0.274478  0.633335  1
  Cu  Cu156  1  0.293520  0.606161  0.649168  1
  Cu  Cu157  1  0.042620  0.104336  0.669862  1
  Cu  Cu158  1  0.208326  0.435744  0.685385  1
  Cu  Cu159  1  0.374053  0.767328  0.700863  1
  Cu  Cu160  1  0.460838  0.940830  0.661492  1
  Cu  Cu161  1  0.625404  0.269894  0.677459  1
  Cu  Cu162  1  0.791257  0.601644  0.693208  1
