# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.70968589
_cell_length_b   10.97787855
_cell_length_c   48.99228025
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.41469637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr84 Cu42'
_cell_volume   5732.6580963
_cell_formula_units_Z   42
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  0.506503  0.386292  0.337248  1
  Zr  Zr2  1  0.895241  0.442711  0.298494  1
  Zr  Zr3  1  0.200635  0.405979  0.317127  1
  Zr  Zr4  1  0.720307  0.232203  0.306986  1
  Zr  Zr5  1  0.018603  0.203535  0.325950  1
  Zr  Zr6  1  0.329178  0.179441  0.347823  1
  Zr  Zr7  1  0.737112  0.955027  0.290869  1
  Zr  Zr8  1  0.045321  0.920508  0.307246  1
  Zr  Zr9  1  0.357309  0.896332  0.327135  1
  Zr  Zr10  1  0.569319  0.734073  0.298829  1
  Zr  Zr11  1  0.863639  0.718158  0.316832  1
  Zr  Zr12  1  0.175401  0.694264  0.337888  1
  Zr  Zr13  1  0.416698  0.306195  0.400713  1
  Zr  Zr14  1  0.814122  0.360834  0.359255  1
  Zr  Zr15  1  0.115533  0.335233  0.379428  1
  Zr  Zr16  1  0.633918  0.149007  0.366850  1
  Zr  Zr17  1  0.937953  0.119266  0.387721  1
  Zr  Zr18  1  0.237661  0.090867  0.408837  1
  Zr  Zr19  1  0.657344  0.880345  0.348717  1
  Zr  Zr20  1  0.962135  0.848741  0.369319  1
  Zr  Zr21  1  0.265472  0.821022  0.390464  1
  Zr  Zr22  1  0.484764  0.663546  0.357897  1
  Zr  Zr23  1  0.785471  0.632210  0.376937  1
  Zr  Zr24  1  0.087777  0.604488  0.398131  1
  Zr  Zr25  1  0.326828  0.218803  0.463635  1
  Zr  Zr26  1  0.719767  0.275549  0.421772  1
  Zr  Zr27  1  0.023607  0.247165  0.442345  1
  Zr  Zr28  1  0.540047  0.063360  0.429639  1
  Zr  Zr29  1  0.844616  0.034673  0.450871  1
  Zr  Zr30  1  0.147802  0.006057  0.471793  1
  Zr  Zr31  1  0.568314  0.791548  0.411381  1
  Zr  Zr32  1  0.871602  0.761169  0.432142  1
  Zr  Zr33  1  0.174980  0.732903  0.453115  1
  Zr  Zr34  1  0.389043  0.576739  0.418849  1
  Zr  Zr35  1  0.691974  0.548729  0.439905  1
  Zr  Zr36  1  0.996199  0.520498  0.461262  1
  Zr  Zr37  1  0.235837  0.132316  0.526648  1
  Zr  Zr38  1  0.629557  0.189866  0.484577  1
  Zr  Zr39  1  0.932573  0.161204  0.505597  1
  Zr  Zr40  1  0.451057  0.977141  0.492914  1
  Zr  Zr41  1  0.754174  0.948408  0.514007  1
  Zr  Zr42  1  0.056977  0.919766  0.534875  1
  Zr  Zr43  1  0.478355  0.704168  0.474176  1
  Zr  Zr44  1  0.781042  0.675644  0.495124  1
  Zr  Zr45  1  0.084181  0.646811  0.516217  1
  Zr  Zr46  1  0.299819  0.491771  0.482235  1
  Zr  Zr47  1  0.602980  0.462527  0.503342  1
  Zr  Zr48  1  0.905801  0.433902  0.524376  1
  Zr  Zr49  1  0.145728  0.046678  0.589703  1
  Zr  Zr50  1  0.539104  0.103365  0.547655  1
  Zr  Zr51  1  0.842977  0.074949  0.569017  1
  Zr  Zr52  1  0.360324  0.891071  0.556065  1
  Zr  Zr53  1  0.663570  0.862660  0.577148  1
  Zr  Zr54  1  0.967340  0.832903  0.597888  1
  Zr  Zr55  1  0.387595  0.618031  0.537271  1
  Zr  Zr56  1  0.690712  0.589662  0.558151  1
  Zr  Zr57  1  0.994716  0.561193  0.579423  1
  Zr  Zr58  1  0.208813  0.404950  0.545303  1
  Zr  Zr59  1  0.512107  0.376361  0.566459  1
  Zr  Zr60  1  0.815390  0.347909  0.587005  1
  Zr  Zr61  1  0.054558  0.960427  0.651640  1
  Zr  Zr62  1  0.447604  0.017786  0.611003  1
  Zr  Zr63  1  0.751715  0.990097  0.632446  1
  Zr  Zr64  1  0.270432  0.803398  0.619077  1
  Zr  Zr65  1  0.571142  0.775020  0.640339  1
  Zr  Zr66  1  0.876288  0.743904  0.660432  1
  Zr  Zr67  1  0.296724  0.533154  0.600049  1
  Zr  Zr68  1  0.597507  0.504343  0.620979  1
  Zr  Zr69  1  0.902552  0.474318  0.642057  1
  Zr  Zr70  1  0.117777  0.317840  0.607964  1
  Zr  Zr71  1  0.419841  0.289814  0.629327  1
  Zr  Zr72  1  0.723719  0.263069  0.649601  1
  Zr  Zr73  1  0.959898  0.885841  0.710437  1
  Zr  Zr74  1  0.361054  0.934137  0.673463  1
  Zr  Zr75  1  0.663849  0.907250  0.693106  1
  Zr  Zr76  1  0.179257  0.728192  0.682187  1
  Zr  Zr77  1  0.490297  0.690518  0.701289  1
  Zr  Zr78  1  0.793046  0.667884  0.717912  1
  Zr  Zr79  1  0.204523  0.443282  0.661175  1
  Zr  Zr80  1  0.515705  0.415649  0.682817  1
  Zr  Zr81  1  0.816275  0.390095  0.701845  1
  Zr  Zr82  1  0.031767  0.234073  0.671859  1
  Zr  Zr83  1  0.334178  0.212136  0.691625  1
  Zr  Zr84  1  0.637216  0.179086  0.709685  1
  Cu  Cu85  1  0.686789  0.541466  0.326180  1
  Cu  Cu86  1  0.071945  0.608121  0.293484  1
  Cu  Cu87  1  0.373728  0.587495  0.310696  1
  Cu  Cu88  1  0.527105  0.076524  0.316130  1
  Cu  Cu89  1  0.843531  0.039492  0.337160  1
  Cu  Cu90  1  0.224191  0.092372  0.303411  1
  Cu  Cu91  1  0.602189  0.467355  0.388186  1
  Cu  Cu92  1  0.997886  0.527639  0.345658  1
  Cu  Cu93  1  0.301428  0.497227  0.366037  1
  Cu  Cu94  1  0.449059  0.984240  0.377835  1
  Cu  Cu95  1  0.752422  0.956110  0.399826  1
  Cu  Cu96  1  0.150558  0.010793  0.355481  1
  Cu  Cu97  1  0.509487  0.384044  0.452025  1
  Cu  Cu98  1  0.903609  0.440395  0.410431  1
  Cu  Cu99  1  0.206129  0.412202  0.431305  1
  Cu  Cu100  1  0.357860  0.898168  0.441817  1
  Cu  Cu101  1  0.661257  0.870074  0.462539  1
  Cu  Cu102  1  0.054026  0.926282  0.420842  1
  Cu  Cu103  1  0.419388  0.297688  0.515032  1
  Cu  Cu104  1  0.813188  0.355309  0.472869  1
  Cu  Cu105  1  0.116050  0.326336  0.493817  1
  Cu  Cu106  1  0.267695  0.812024  0.504573  1
  Cu  Cu107  1  0.570747  0.783690  0.525660  1
  Cu  Cu108  1  0.964432  0.840732  0.483513  1
  Cu  Cu109  1  0.329452  0.210908  0.577782  1
  Cu  Cu110  1  0.722306  0.268040  0.535955  1
  Cu  Cu111  1  0.025727  0.239620  0.556787  1
  Cu  Cu112  1  0.177364  0.726491  0.567367  1
  Cu  Cu113  1  0.480904  0.698244  0.588396  1
  Cu  Cu114  1  0.873896  0.754579  0.546647  1
  Cu  Cu115  1  0.235587  0.126027  0.642192  1
  Cu  Cu116  1  0.631646  0.181988  0.598865  1
  Cu  Cu117  1  0.934425  0.155206  0.620646  1
  Cu  Cu118  1  0.085988  0.640243  0.631425  1
  Cu  Cu119  1  0.383774  0.608840  0.653186  1
  Cu  Cu120  1  0.782291  0.668644  0.609472  1
  Cu  Cu121  1  0.153312  0.031053  0.700254  1
  Cu  Cu122  1  0.539932  0.098132  0.661747  1
  Cu  Cu123  1  0.848977  0.080758  0.683015  1
  Cu  Cu124  1  0.006849  0.550556  0.692969  1
  Cu  Cu125  1  0.308021  0.526855  0.705624  1
  Cu  Cu126  1  0.692514  0.579804  0.671290  1
