# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75291164
_cell_length_b   31.40823535
_cell_length_c   48.12254368
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.34749747
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr108 Cu54'
_cell_volume   7163.09031989
_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  0.396409  0.254730  0.286538  1
  Zr  Zr2  1  0.561655  0.585196  0.302974  1
  Zr  Zr3  1  0.726592  0.915084  0.318231  1
  Zr  Zr4  1  0.864138  0.190195  0.283208  1
  Zr  Zr5  1  0.029164  0.520195  0.299751  1
  Zr  Zr6  1  0.194403  0.850699  0.316167  1
  Zr  Zr7  1  0.814201  0.090378  0.279502  1
  Zr  Zr8  1  0.978997  0.419884  0.294775  1
  Zr  Zr9  1  0.144137  0.750164  0.311244  1
  Zr  Zr10  1  0.280619  0.023277  0.278694  1
  Zr  Zr11  1  0.446555  0.354991  0.291587  1
  Zr  Zr12  1  0.611835  0.685541  0.308002  1
  Zr  Zr13  1  0.894131  0.250192  0.334825  1
  Zr  Zr14  1  0.059510  0.580921  0.351148  1
  Zr  Zr15  1  0.224390  0.910689  0.368258  1
  Zr  Zr16  1  0.360431  0.182777  0.331427  1
  Zr  Zr17  1  0.525672  0.513210  0.347802  1
  Zr  Zr18  1  0.691086  0.844045  0.364174  1
  Zr  Zr19  1  0.311668  0.085312  0.326645  1
  Zr  Zr20  1  0.476832  0.415573  0.342984  1
  Zr  Zr21  1  0.642236  0.746377  0.359443  1
  Zr  Zr22  1  0.776169  0.014264  0.322898  1
  Zr  Zr23  1  0.943004  0.347889  0.339631  1
  Zr  Zr24  1  0.108343  0.678551  0.356090  1
  Zr  Zr25  1  0.390695  0.243328  0.385076  1
  Zr  Zr26  1  0.556191  0.574291  0.401444  1
  Zr  Zr27  1  0.721761  0.905441  0.418299  1
  Zr  Zr28  1  0.857543  0.177000  0.381975  1
  Zr  Zr29  1  0.023081  0.508037  0.398172  1
  Zr  Zr30  1  0.188540  0.838954  0.414610  1
  Zr  Zr31  1  0.807686  0.077331  0.376170  1
  Zr  Zr32  1  0.973473  0.408865  0.393263  1
  Zr  Zr33  1  0.138955  0.739819  0.409729  1
  Zr  Zr34  1  0.273664  0.009218  0.370972  1
  Zr  Zr35  1  0.440340  0.342568  0.389969  1
  Zr  Zr36  1  0.605809  0.673489  0.406394  1
  Zr  Zr37  1  0.887704  0.237349  0.435401  1
  Zr  Zr38  1  0.053271  0.568456  0.451871  1
  Zr  Zr39  1  0.219111  0.900150  0.468301  1
  Zr  Zr40  1  0.354303  0.170514  0.432148  1
  Zr  Zr41  1  0.520090  0.502062  0.448590  1
  Zr  Zr42  1  0.685784  0.833446  0.465074  1
  Zr  Zr43  1  0.304536  0.071015  0.426330  1
  Zr  Zr44  1  0.470514  0.402954  0.443664  1
  Zr  Zr45  1  0.636146  0.734205  0.460042  1
  Zr  Zr46  1  0.771338  0.004566  0.422248  1
  Zr  Zr47  1  0.937300  0.336496  0.440357  1
  Zr  Zr48  1  0.102850  0.667574  0.456748  1
  Zr  Zr49  1  0.384750  0.231443  0.485472  1
  Zr  Zr50  1  0.550394  0.562711  0.502056  1
  Zr  Zr51  1  0.716309  0.894551  0.518676  1
  Zr  Zr52  1  0.851292  0.164487  0.482001  1
  Zr  Zr53  1  0.017102  0.496092  0.498754  1
  Zr  Zr54  1  0.182978  0.827835  0.515307  1
  Zr  Zr55  1  0.801746  0.065430  0.476664  1
  Zr  Zr56  1  0.967598  0.397130  0.493827  1
  Zr  Zr57  1  0.133311  0.728537  0.509984  1
  Zr  Zr58  1  0.268556  0.999006  0.473175  1
  Zr  Zr59  1  0.434279  0.330458  0.490489  1
  Zr  Zr60  1  0.599904  0.661684  0.506842  1
  Zr  Zr61  1  0.881755  0.225454  0.535573  1
  Zr  Zr62  1  0.047436  0.556798  0.552211  1
  Zr  Zr63  1  0.213572  0.889083  0.569594  1
  Zr  Zr64  1  0.348460  0.158823  0.532070  1
  Zr  Zr65  1  0.514203  0.490301  0.548916  1
  Zr  Zr66  1  0.680062  0.822001  0.565256  1
  Zr  Zr67  1  0.298934  0.059807  0.526984  1
  Zr  Zr68  1  0.464611  0.391160  0.543978  1
  Zr  Zr69  1  0.630274  0.722462  0.559972  1
  Zr  Zr70  1  0.765784  0.993466  0.523399  1
  Zr  Zr71  1  0.931367  0.324638  0.540622  1
  Zr  Zr72  1  0.097037  0.655957  0.556964  1
  Zr  Zr73  1  0.378775  0.219495  0.585948  1
  Zr  Zr74  1  0.544469  0.550871  0.602590  1
  Zr  Zr75  1  0.711176  0.884293  0.619907  1
  Zr  Zr76  1  0.845614  0.153131  0.582496  1
  Zr  Zr77  1  0.011282  0.484464  0.599321  1
  Zr  Zr78  1  0.176751  0.815369  0.614856  1
  Zr  Zr79  1  0.796071  0.054080  0.577582  1
  Zr  Zr80  1  0.961630  0.385204  0.594365  1
  Zr  Zr81  1  0.127149  0.716209  0.610527  1
  Zr  Zr82  1  0.263171  0.988246  0.573574  1
  Zr  Zr83  1  0.428432  0.318772  0.591007  1
  Zr  Zr84  1  0.594155  0.650199  0.607427  1
  Zr  Zr85  1  0.876226  0.214405  0.636251  1
  Zr  Zr86  1  0.041949  0.545840  0.652941  1
  Zr  Zr87  1  0.207568  0.877042  0.666061  1
  Zr  Zr88  1  0.342259  0.146424  0.632776  1
  Zr  Zr89  1  0.507967  0.477841  0.649597  1
  Zr  Zr90  1  0.673521  0.808899  0.664645  1
  Zr  Zr91  1  0.293272  0.048478  0.628328  1
  Zr  Zr92  1  0.459065  0.380082  0.644701  1
  Zr  Zr93  1  0.624863  0.711641  0.661122  1
  Zr  Zr94  1  0.760274  0.982449  0.624152  1
  Zr  Zr95  1  0.925098  0.312110  0.641268  1
  Zr  Zr96  1  0.090859  0.643609  0.657775  1
  Zr  Zr97  1  0.372678  0.207301  0.684273  1
  Zr  Zr98  1  0.538526  0.538990  0.700910  1
  Zr  Zr99  1  0.703330  0.868415  0.714431  1
  Zr  Zr100  1  0.840275  0.142474  0.680947  1
  Zr  Zr101  1  1.005814  0.473553  0.697678  1
  Zr  Zr102  1  0.172322  0.806484  0.712827  1
  Zr  Zr103  1  0.790041  0.042004  0.676144  1
  Zr  Zr104  1  0.955571  0.373091  0.692669  1
  Zr  Zr105  1  0.121555  0.705016  0.708943  1
  Zr  Zr106  1  0.256935  0.975761  0.674885  1
  Zr  Zr107  1  0.422927  0.307785  0.689358  1
  Zr  Zr108  1  0.588729  0.639359  0.705819  1
  Cu  Cu109  1  0.249266  0.960417  0.319391  1
  Cu  Cu110  1  0.921579  0.305054  0.286906  1
  Cu  Cu111  1  0.086923  0.635725  0.303313  1
  Cu  Cu112  1  0.339210  0.140362  0.278804  1
  Cu  Cu113  1  0.504199  0.470275  0.295086  1
  Cu  Cu114  1  0.669331  0.800552  0.311441  1
  Cu  Cu115  1  0.748898  0.959691  0.370015  1
  Cu  Cu116  1  0.418531  0.298967  0.337494  1
  Cu  Cu117  1  0.583909  0.629700  0.353897  1
  Cu  Cu118  1  0.836448  0.134846  0.329582  1
  Cu  Cu119  1  1.001226  0.464339  0.345693  1
  Cu  Cu120  1  0.166621  0.795131  0.362150  1
  Cu  Cu121  1  0.246813  0.955533  0.420343  1
  Cu  Cu122  1  0.915509  0.292931  0.387915  1
  Cu  Cu123  1  0.080951  0.623792  0.404324  1
  Cu  Cu124  1  0.332866  0.127675  0.379528  1
  Cu  Cu125  1  0.498260  0.458417  0.396125  1
  Cu  Cu126  1  0.663770  0.789433  0.412575  1
  Cu  Cu127  1  0.743982  0.949875  0.470625  1
  Cu  Cu128  1  0.412537  0.286993  0.437689  1
  Cu  Cu129  1  0.578047  0.617988  0.454119  1
  Cu  Cu130  1  0.829393  0.120711  0.429072  1
  Cu  Cu131  1  0.995320  0.452543  0.445940  1
  Cu  Cu132  1  0.161042  0.783978  0.462326  1
  Cu  Cu133  1  0.240906  0.943727  0.521186  1
  Cu  Cu134  1  0.909536  0.280993  0.487991  1
  Cu  Cu135  1  0.075132  0.612163  0.504453  1
  Cu  Cu136  1  0.326418  0.114756  0.479399  1
  Cu  Cu137  1  0.492354  0.446619  0.496289  1
  Cu  Cu138  1  0.658125  0.778147  0.512552  1
  Cu  Cu139  1  0.738397  0.938718  0.571437  1
  Cu  Cu140  1  0.406558  0.275041  0.538298  1
  Cu  Cu141  1  0.572234  0.606373  0.554805  1
  Cu  Cu142  1  0.823576  0.109073  0.529785  1
  Cu  Cu143  1  0.989399  0.440715  0.546639  1
  Cu  Cu144  1  0.154971  0.771835  0.562751  1
  Cu  Cu145  1  0.236507  0.934939  0.621311  1
  Cu  Cu146  1  0.903639  0.269206  0.588068  1
  Cu  Cu147  1  0.069366  0.600645  0.604617  1
  Cu  Cu148  1  0.320769  0.103457  0.579627  1
  Cu  Cu149  1  0.486488  0.434898  0.596436  1
  Cu  Cu150  1  0.651650  0.765183  0.612249  1
  Cu  Cu151  1  0.734038  0.930036  0.673573  1
  Cu  Cu152  1  0.400658  0.263251  0.638468  1
  Cu  Cu153  1  0.566407  0.594730  0.654988  1
  Cu  Cu154  1  0.817805  0.097528  0.630074  1
  Cu  Cu155  1  0.983529  0.428988  0.646826  1
  Cu  Cu156  1  0.149218  0.760325  0.662698  1
  Cu  Cu157  1  0.223479  0.908634  0.716979  1
  Cu  Cu158  1  0.897629  0.257194  0.689024  1
  Cu  Cu159  1  0.063515  0.588950  0.705608  1
  Cu  Cu160  1  0.315243  0.092415  0.680863  1
  Cu  Cu161  1  0.480541  0.423019  0.697402  1
  Cu  Cu162  1  0.647111  0.756104  0.713239  1
