# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83978393
_cell_length_b   12.01830616
_cell_length_c   47.87520696
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.40416332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr60 Cu60'
_cell_volume   4729.18854736
_cell_formula_units_Z   60
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  0.304610  0.155787  0.286673  1
  Zr  Zr2  1  0.795445  0.155770  0.286673  1
  Zr  Zr3  1  0.371407  0.513038  0.277345  1
  Zr  Zr4  1  0.234865  0.786072  0.303330  1
  Zr  Zr5  1  0.666173  0.435450  0.313656  1
  Zr  Zr6  1  0.734243  0.787283  0.304213  1
  Zr  Zr7  1  0.095708  0.064322  0.331010  1
  Zr  Zr8  1  0.594733  0.066271  0.332411  1
  Zr  Zr9  1  0.154138  0.435461  0.313651  1
  Zr  Zr10  1  0.022751  0.713797  0.343180  1
  Zr  Zr11  1  0.455656  0.344377  0.360841  1
  Zr  Zr12  1  0.519179  0.713803  0.343180  1
  Zr  Zr13  1  0.882573  0.992104  0.371247  1
  Zr  Zr14  1  0.381029  0.992106  0.371246  1
  Zr  Zr15  1  0.956559  0.342572  0.361114  1
  Zr  Zr16  1  0.817028  0.621621  0.390519  1
  Zr  Zr17  1  0.243008  0.270333  0.400848  1
  Zr  Zr18  1  0.316765  0.622153  0.391077  1
  Zr  Zr19  1  0.677284  0.901104  0.419622  1
  Zr  Zr20  1  0.177399  0.900875  0.419755  1
  Zr  Zr21  1  0.742345  0.270332  0.400848  1
  Zr  Zr22  1  0.603819  0.548732  0.429956  1
  Zr  Zr23  1  0.038171  0.179314  0.448902  1
  Zr  Zr24  1  0.103122  0.548731  0.429955  1
  Zr  Zr25  1  0.464255  0.827407  0.459045  1
  Zr  Zr26  1  0.963998  0.827406  0.459044  1
  Zr  Zr27  1  0.538092  0.179472  0.448991  1
  Zr  Zr28  1  0.398942  0.457757  0.477967  1
  Zr  Zr29  1  0.824825  0.105896  0.487970  1
  Zr  Zr30  1  0.898889  0.457864  0.477931  1
  Zr  Zr31  1  0.259673  0.736282  0.507035  1
  Zr  Zr32  1  0.759727  0.736174  0.507069  1
  Zr  Zr33  1  0.324925  0.105896  0.487970  1
  Zr  Zr34  1  0.185562  0.384338  0.517090  1
  Zr  Zr35  1  0.620441  0.014730  0.535918  1
  Zr  Zr36  1  0.685732  0.384339  0.517090  1
  Zr  Zr37  1  0.046885  0.662711  0.546250  1
  Zr  Zr38  1  0.546021  0.662710  0.546251  1
  Zr  Zr39  1  0.120328  0.014959  0.535857  1
  Zr  Zr40  1  0.981208  0.293183  0.565164  1
  Zr  Zr41  1  0.406812  0.941152  0.575257  1
  Zr  Zr42  1  0.480915  0.293772  0.565246  1
  Zr  Zr43  1  0.842182  0.571219  0.593897  1
  Zr  Zr44  1  0.341523  0.572542  0.594704  1
  Zr  Zr45  1  0.907638  0.941154  0.575256  1
  Zr  Zr46  1  0.767093  0.220568  0.604834  1
  Zr  Zr47  1  0.203483  0.848584  0.623503  1
  Zr  Zr48  1  0.267931  0.220569  0.604834  1
  Zr  Zr49  1  0.627504  0.498123  0.634124  1
  Zr  Zr50  1  0.129945  0.498122  0.634122  1
  Zr  Zr51  1  0.702483  0.850609  0.623765  1
  Zr  Zr52  1  0.563071  0.129372  0.651265  1
  Zr  Zr53  1  0.989580  0.777219  0.663386  1
  Zr  Zr54  1  0.064348  0.126832  0.650694  1
  Zr  Zr55  1  0.426945  0.401594  0.680302  1
  Zr  Zr56  1  0.923060  0.409388  0.681591  1
  Zr  Zr57  1  0.488725  0.777219  0.663384  1
  Zr  Zr58  1  0.351541  0.054806  0.690034  1
  Zr  Zr59  1  0.782028  0.691323  0.705812  1
  Zr  Zr60  1  0.849112  0.054812  0.690032  1
  Cu  Cu61  1  0.986743  0.282306  0.304822  1
  Cu  Cu62  1  0.485117  0.285567  0.304298  1
  Cu  Cu63  1  0.048429  0.655261  0.286617  1
  Cu  Cu64  1  0.906551  0.933253  0.311167  1
  Cu  Cu65  1  0.552204  0.655228  0.286621  1
  Cu  Cu66  1  0.626272  0.003317  0.278421  1
  Cu  Cu67  1  0.770971  0.216574  0.341578  1
  Cu  Cu68  1  0.268165  0.216579  0.341577  1
  Cu  Cu69  1  0.844775  0.566184  0.332996  1
  Cu  Cu70  1  0.707329  0.841053  0.362944  1
  Cu  Cu71  1  0.345656  0.564435  0.333781  1
  Cu  Cu72  1  0.415956  0.933275  0.311165  1
  Cu  Cu73  1  0.567658  0.120382  0.392267  1
  Cu  Cu74  1  0.068179  0.119338  0.392028  1
  Cu  Cu75  1  0.631506  0.493614  0.370669  1
  Cu  Cu76  1  0.491465  0.773089  0.399835  1
  Cu  Cu77  1  0.130563  0.493613  0.370667  1
  Cu  Cu78  1  0.206798  0.842114  0.363171  1
  Cu  Cu79  1  0.352327  0.051096  0.428353  1
  Cu  Cu80  1  0.852239  0.051095  0.428354  1
  Cu  Cu81  1  0.428785  0.398113  0.420960  1
  Cu  Cu82  1  0.289298  0.677072  0.450334  1
  Cu  Cu83  1  0.928896  0.397889  0.421061  1
  Cu  Cu84  1  0.991122  0.773088  0.399834  1
  Cu  Cu85  1  0.150121  0.955411  0.479218  1
  Cu  Cu86  1  0.650162  0.955330  0.479187  1
  Cu  Cu87  1  0.212898  0.329719  0.457561  1
  Cu  Cu88  1  0.073779  0.608199  0.486702  1
  Cu  Cu89  1  0.713031  0.329718  0.457561  1
  Cu  Cu90  1  0.789201  0.677268  0.450121  1
  Cu  Cu91  1  0.934492  0.886669  0.515821  1
  Cu  Cu92  1  0.434459  0.886669  0.515822  1
  Cu  Cu93  1  0.010791  0.234059  0.508374  1
  Cu  Cu94  1  0.871616  0.512394  0.537415  1
  Cu  Cu95  1  0.510782  0.234077  0.508494  1
  Cu  Cu96  1  0.573656  0.608199  0.486702  1
  Cu  Cu97  1  0.732200  0.791214  0.566593  1
  Cu  Cu98  1  0.232264  0.791084  0.566468  1
  Cu  Cu99  1  0.794912  0.165198  0.544931  1
  Cu  Cu100  1  0.655366  0.444121  0.573951  1
  Cu  Cu101  1  0.295495  0.165198  0.544932  1
  Cu  Cu102  1  0.371575  0.512475  0.537611  1
  Cu  Cu103  1  0.517645  0.722061  0.603163  1
  Cu  Cu104  1  0.015872  0.722059  0.603161  1
  Cu  Cu105  1  0.593331  0.068935  0.594766  1
  Cu  Cu106  1  0.453092  0.349407  0.624403  1
  Cu  Cu107  1  0.093293  0.069011  0.594662  1
  Cu  Cu108  1  0.156105  0.444122  0.573950  1
  Cu  Cu109  1  0.315223  0.625076  0.655960  1
  Cu  Cu110  1  0.815515  0.624527  0.652671  1
  Cu  Cu111  1  0.378288  0.998396  0.632106  1
  Cu  Cu112  1  0.233886  0.278569  0.662547  1
  Cu  Cu113  1  0.878864  0.998405  0.632105  1
  Cu  Cu114  1  0.953148  0.349286  0.624669  1
  Cu  Cu115  1  0.101370  0.557480  0.689300  1
  Cu  Cu116  1  0.596588  0.557480  0.689302  1
  Cu  Cu117  1  0.171626  0.912229  0.681970  1
  Cu  Cu118  1  0.035967  0.183410  0.704141  1
  Cu  Cu119  1  0.671996  0.911507  0.681967  1
  Cu  Cu120  1  0.743059  0.278575  0.662550  1
