# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73203406
_cell_length_b   15.33040147
_cell_length_c   50.50351010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr40 Cu200'
_cell_volume   7148.25384329
_cell_formula_units_Z   40
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  0.432976  0.884212  0.300921  1
  Zr  Zr2  1  0.657865  0.334317  0.341217  1
  Zr  Zr3  1  0.547812  0.613949  0.321546  1
  Zr  Zr4  1  0.328587  0.175371  0.284665  1
  Zr  Zr5  1  0.047812  0.613949  0.321546  1
  Zr  Zr6  1  0.828587  0.175371  0.284665  1
  Zr  Zr7  1  0.932976  0.884212  0.300921  1
  Zr  Zr8  1  0.157865  0.334317  0.341217  1
  Zr  Zr9  1  0.879877  0.778419  0.388214  1
  Zr  Zr10  1  0.101828  0.222468  0.434254  1
  Zr  Zr11  1  0.991072  0.500884  0.411723  1
  Zr  Zr12  1  0.769577  0.057793  0.364169  1
  Zr  Zr13  1  0.491072  0.500884  0.411723  1
  Zr  Zr14  1  0.269577  0.057793  0.364169  1
  Zr  Zr15  1  0.379877  0.778419  0.388214  1
  Zr  Zr16  1  0.601828  0.222468  0.434254  1
  Zr  Zr17  1  0.324015  0.667023  0.479471  1
  Zr  Zr18  1  0.546225  0.111619  0.525314  1
  Zr  Zr19  1  0.435010  0.389098  0.502375  1
  Zr  Zr20  1  0.213175  0.945257  0.456838  1
  Zr  Zr21  1  0.935010  0.389098  0.502375  1
  Zr  Zr22  1  0.713175  0.945257  0.456838  1
  Zr  Zr23  1  0.824015  0.667023  0.479471  1
  Zr  Zr24  1  0.046225  0.111619  0.525314  1
  Zr  Zr25  1  0.767615  0.554556  0.571208  1
  Zr  Zr26  1  0.991014  1.001545  0.616213  1
  Zr  Zr27  1  0.879377  0.278166  0.594073  1
  Zr  Zr28  1  0.656988  0.833219  0.547684  1
  Zr  Zr29  1  0.379377  0.278166  0.594073  1
  Zr  Zr30  1  0.156988  0.833219  0.547684  1
  Zr  Zr31  1  0.267615  0.554556  0.571208  1
  Zr  Zr32  1  0.491014  1.001545  0.616213  1
  Zr  Zr33  1  0.211326  0.442325  0.661279  1
  Zr  Zr34  1  0.436720  0.893354  0.701505  1
  Zr  Zr35  1  0.320711  0.161128  0.685940  1
  Zr  Zr36  1  0.099751  0.719125  0.638350  1
  Zr  Zr37  1  0.820711  0.161128  0.685940  1
  Zr  Zr38  1  0.599751  0.719125  0.638350  1
  Zr  Zr39  1  0.711326  0.442325  0.661279  1
  Zr  Zr40  1  0.936720  0.893354  0.701505  1
  Cu  Cu41  1  0.132161  0.782574  0.292428  1
  Cu  Cu42  1  0.354349  0.227259  0.333716  1
  Cu  Cu43  1  0.222422  0.963042  0.278703  1
  Cu  Cu44  1  0.449558  0.417612  0.324851  1
  Cu  Cu45  1  0.004021  0.776086  0.337255  1
  Cu  Cu46  1  0.786910  0.344483  0.290494  1
  Cu  Cu47  1  0.753715  0.776107  0.337236  1
  Cu  Cu48  1  0.539191  0.344573  0.290465  1
  Cu  Cu49  1  0.199432  0.917267  0.325764  1
  Cu  Cu50  1  0.987986  0.495347  0.282955  1
  Cu  Cu51  1  0.463541  0.945606  0.354689  1
  Cu  Cu52  1  0.240455  0.499460  0.311458  1
  Cu  Cu53  1  0.335882  0.689917  0.299286  1
  Cu  Cu54  1  0.561209  0.141018  0.346693  1
  Cu  Cu55  1  0.896099  0.054526  0.313719  1
  Cu  Cu56  1  0.117305  0.500915  0.360135  1
  Cu  Cu57  1  0.640077  0.054575  0.313683  1
  Cu  Cu58  1  0.865071  0.500918  0.360118  1
  Cu  Cu59  1  0.309588  0.637588  0.347286  1
  Cu  Cu60  1  0.091726  0.201824  0.302052  1
  Cu  Cu61  1  0.963541  0.945606  0.354689  1
  Cu  Cu62  1  0.740455  0.499460  0.311458  1
  Cu  Cu63  1  0.835882  0.689917  0.299286  1
  Cu  Cu64  1  0.061209  0.141018  0.346693  1
  Cu  Cu65  1  0.396099  0.054526  0.313719  1
  Cu  Cu66  1  0.617305  0.500915  0.360135  1
  Cu  Cu67  1  0.140077  0.054575  0.313683  1
  Cu  Cu68  1  0.365071  0.500918  0.360118  1
  Cu  Cu69  1  0.809588  0.637588  0.347286  1
  Cu  Cu70  1  0.591726  0.201824  0.302052  1
  Cu  Cu71  1  0.632161  0.782574  0.292428  1
  Cu  Cu72  1  0.854349  0.227259  0.333716  1
  Cu  Cu73  1  0.722422  0.963042  0.278703  1
  Cu  Cu74  1  0.949558  0.417612  0.324851  1
  Cu  Cu75  1  0.504021  0.776086  0.337255  1
  Cu  Cu76  1  0.286910  0.344483  0.290494  1
  Cu  Cu77  1  0.253715  0.776107  0.337236  1
  Cu  Cu78  1  0.039191  0.344573  0.290465  1
  Cu  Cu79  1  0.699432  0.917267  0.325764  1
  Cu  Cu80  1  0.487986  0.495347  0.282955  1
  Cu  Cu81  1  0.574197  0.666975  0.377572  1
  Cu  Cu82  1  0.796515  0.111771  0.422141  1
  Cu  Cu83  1  0.671491  0.861622  0.370509  1
  Cu  Cu84  1  0.893247  0.305325  0.416621  1
  Cu  Cu85  1  0.450790  0.668327  0.428341  1
  Cu  Cu86  1  0.227905  0.224058  0.382539  1
  Cu  Cu87  1  0.198764  0.668329  0.428329  1
  Cu  Cu88  1  0.977522  0.224055  0.382530  1
  Cu  Cu89  1  0.643567  0.805845  0.416925  1
  Cu  Cu90  1  0.421487  0.361558  0.371348  1
  Cu  Cu91  1  0.907765  0.834350  0.445169  1
  Cu  Cu92  1  0.685260  0.389169  0.399610  1
  Cu  Cu93  1  0.782936  0.584610  0.393465  1
  Cu  Cu94  1  0.004606  0.028124  0.439145  1
  Cu  Cu95  1  0.339621  0.946696  0.405286  1
  Cu  Cu96  1  0.561796  0.389870  0.451145  1
  Cu  Cu97  1  0.088380  0.946697  0.405274  1
  Cu  Cu98  1  0.309208  0.389874  0.451131  1
  Cu  Cu99  1  0.754319  0.527433  0.439722  1
  Cu  Cu100  1  0.532483  0.083617  0.393476  1
  Cu  Cu101  1  0.407765  0.834350  0.445169  1
  Cu  Cu102  1  0.185260  0.389169  0.399610  1
  Cu  Cu103  1  0.282936  0.584610  0.393465  1
  Cu  Cu104  1  0.504606  0.028124  0.439145  1
  Cu  Cu105  1  0.839621  0.946696  0.405286  1
  Cu  Cu106  1  0.061796  0.389870  0.451145  1
  Cu  Cu107  1  0.588380  0.946697  0.405274  1
  Cu  Cu108  1  0.809208  0.389874  0.451131  1
  Cu  Cu109  1  0.254319  0.527433  0.439722  1
  Cu  Cu110  1  0.032483  0.083617  0.393476  1
  Cu  Cu111  1  0.074197  0.666975  0.377572  1
  Cu  Cu112  1  0.296515  0.111771  0.422141  1
  Cu  Cu113  1  0.171491  0.861622  0.370509  1
  Cu  Cu114  1  0.393247  0.305325  0.416621  1
  Cu  Cu115  1  0.950790  0.668327  0.428341  1
  Cu  Cu116  1  0.727905  0.224058  0.382539  1
  Cu  Cu117  1  0.698764  0.668329  0.428329  1
  Cu  Cu118  1  0.477522  0.224055  0.382530  1
  Cu  Cu119  1  0.143567  0.805845  0.416925  1
  Cu  Cu120  1  0.921487  0.361558  0.371348  1
  Cu  Cu121  1  0.018538  0.555980  0.468283  1
  Cu  Cu122  1  0.240701  1.000477  0.513784  1
  Cu  Cu123  1  0.115624  0.750253  0.462118  1
  Cu  Cu124  1  0.337543  0.194259  0.507914  1
  Cu  Cu125  1  0.894430  0.556212  0.519637  1
  Cu  Cu126  1  0.672788  0.112213  0.473961  1
  Cu  Cu127  1  0.642665  0.556215  0.519624  1
  Cu  Cu128  1  0.420471  0.112215  0.473947  1
  Cu  Cu129  1  0.087210  0.693469  0.508142  1
  Cu  Cu130  1  0.865246  0.249370  0.462638  1
  Cu  Cu131  1  0.351340  0.721834  0.536476  1
  Cu  Cu132  1  0.129530  0.278045  0.491099  1
  Cu  Cu133  1  0.226469  0.472024  0.484946  1
  Cu  Cu134  1  0.448777  0.916813  0.530530  1
  Cu  Cu135  1  0.783936  0.834341  0.496697  1
  Cu  Cu136  1  0.005838  0.278870  0.542642  1
  Cu  Cu137  1  0.531368  0.834344  0.496683  1
  Cu  Cu138  1  0.753829  0.278870  0.542630  1
  Cu  Cu139  1  0.198278  0.415690  0.531202  1
  Cu  Cu140  1  0.976452  0.971869  0.485335  1
  Cu  Cu141  1  0.851340  0.721834  0.536476  1
  Cu  Cu142  1  0.629530  0.278045  0.491099  1
  Cu  Cu143  1  0.726469  0.472024  0.484946  1
  Cu  Cu144  1  0.948777  0.916813  0.530530  1
  Cu  Cu145  1  0.283936  0.834341  0.496697  1
  Cu  Cu146  1  0.505838  0.278870  0.542642  1
  Cu  Cu147  1  0.031368  0.834344  0.496683  1
  Cu  Cu148  1  0.253829  0.278870  0.542630  1
  Cu  Cu149  1  0.698278  0.415690  0.531202  1
  Cu  Cu150  1  0.476452  0.971869  0.485335  1
  Cu  Cu151  1  0.518538  0.555980  0.468283  1
  Cu  Cu152  1  0.740701  1.000477  0.513784  1
  Cu  Cu153  1  0.615624  0.750253  0.462118  1
  Cu  Cu154  1  0.837543  0.194259  0.507914  1
  Cu  Cu155  1  0.394430  0.556212  0.519637  1
  Cu  Cu156  1  0.172788  0.112213  0.473961  1
  Cu  Cu157  1  0.142665  0.556215  0.519624  1
  Cu  Cu158  1  0.920471  0.112215  0.473947  1
  Cu  Cu159  1  0.587210  0.693469  0.508142  1
  Cu  Cu160  1  0.365246  0.249370  0.462638  1
  Cu  Cu161  1  0.462395  0.444026  0.559453  1
  Cu  Cu162  1  0.684574  0.888567  0.604345  1
  Cu  Cu163  1  0.559078  0.637490  0.553436  1
  Cu  Cu164  1  0.781834  0.083176  0.599530  1
  Cu  Cu165  1  0.339472  0.444886  0.611407  1
  Cu  Cu166  1  0.117301  1.001054  0.565261  1
  Cu  Cu167  1  0.085962  0.444893  0.611393  1
  Cu  Cu168  1  0.864456  1.001052  0.565248  1
  Cu  Cu169  1  0.530751  0.580910  0.599781  1
  Cu  Cu170  1  0.309627  0.138477  0.554229  1
  Cu  Cu171  1  0.795150  0.609810  0.627958  1
  Cu  Cu172  1  0.573886  0.167085  0.582377  1
  Cu  Cu173  1  0.670587  0.360601  0.576686  1
  Cu  Cu174  1  0.892192  0.804006  0.621298  1
  Cu  Cu175  1  0.227519  0.721996  0.587560  1
  Cu  Cu176  1  0.449947  0.167791  0.634402  1
  Cu  Cu177  1  0.975097  0.722002  0.587545  1
  Cu  Cu178  1  0.198324  0.167789  0.634388  1
  Cu  Cu179  1  0.642084  0.303641  0.622674  1
  Cu  Cu180  1  0.420492  0.860285  0.576459  1
  Cu  Cu181  1  0.295150  0.609810  0.627958  1
  Cu  Cu182  1  0.073886  0.167085  0.582377  1
  Cu  Cu183  1  0.170587  0.360601  0.576686  1
  Cu  Cu184  1  0.392192  0.804006  0.621298  1
  Cu  Cu185  1  0.727519  0.721996  0.587560  1
  Cu  Cu186  1  0.949947  0.167791  0.634402  1
  Cu  Cu187  1  0.475097  0.722002  0.587545  1
  Cu  Cu188  1  0.698324  0.167789  0.634388  1
  Cu  Cu189  1  0.142084  0.303641  0.622674  1
  Cu  Cu190  1  0.920492  0.860285  0.576459  1
  Cu  Cu191  1  0.962395  0.444026  0.559453  1
  Cu  Cu192  1  0.184574  0.888567  0.604345  1
  Cu  Cu193  1  0.059078  0.637490  0.553436  1
  Cu  Cu194  1  0.281834  0.083176  0.599530  1
  Cu  Cu195  1  0.839472  0.444886  0.611407  1
  Cu  Cu196  1  0.617301  1.001054  0.565261  1
  Cu  Cu197  1  0.585962  0.444893  0.611393  1
  Cu  Cu198  1  0.364456  1.001052  0.565248  1
  Cu  Cu199  1  0.030751  0.580910  0.599781  1
  Cu  Cu200  1  0.809627  0.138477  0.554229  1
  Cu  Cu201  1  0.906149  0.331860  0.651928  1
  Cu  Cu202  1  0.128635  0.777000  0.690726  1
  Cu  Cu203  1  0.003529  0.526793  0.645825  1
  Cu  Cu204  1  0.222049  0.963977  0.691381  1
  Cu  Cu205  1  0.782563  0.333673  0.702214  1
  Cu  Cu206  1  0.562860  0.889014  0.654845  1
  Cu  Cu207  1  0.531484  0.333685  0.702215  1
  Cu  Cu208  1  0.306441  0.888985  0.654834  1
  Cu  Cu209  1  0.975320  0.470370  0.691820  1
  Cu  Cu210  1  0.753942  0.027465  0.646170  1
  Cu  Cu211  1  0.237580  0.494953  0.710702  1
  Cu  Cu212  1  0.018801  0.057116  0.673161  1
  Cu  Cu213  1  0.114378  0.248458  0.668621  1
  Cu  Cu214  1  0.346272  0.712633  0.713777  1
  Cu  Cu215  1  0.672880  0.613892  0.680628  1
  Cu  Cu216  1  0.891488  0.047497  0.723632  1
  Cu  Cu217  1  0.421298  0.613890  0.680639  1
  Cu  Cu218  1  0.636327  0.047405  0.723649  1
  Cu  Cu219  1  0.083546  0.186743  0.713159  1
  Cu  Cu220  1  0.863544  0.746757  0.666852  1
  Cu  Cu221  1  0.737580  0.494953  0.710702  1
  Cu  Cu222  1  0.518801  0.057116  0.673161  1
  Cu  Cu223  1  0.614378  0.248458  0.668621  1
  Cu  Cu224  1  0.846272  0.712633  0.713777  1
  Cu  Cu225  1  0.172880  0.613892  0.680628  1
  Cu  Cu226  1  0.391488  0.047497  0.723632  1
  Cu  Cu227  1  0.921298  0.613890  0.680639  1
  Cu  Cu228  1  0.136327  0.047405  0.723649  1
  Cu  Cu229  1  0.583546  0.186743  0.713159  1
  Cu  Cu230  1  0.363544  0.746757  0.666852  1
  Cu  Cu231  1  0.406149  0.331860  0.651928  1
  Cu  Cu232  1  0.628635  0.777000  0.690726  1
  Cu  Cu233  1  0.503529  0.526793  0.645825  1
  Cu  Cu234  1  0.722049  0.963977  0.691381  1
  Cu  Cu235  1  0.282563  0.333673  0.702214  1
  Cu  Cu236  1  0.062860  0.889014  0.654845  1
  Cu  Cu237  1  0.031484  0.333685  0.702215  1
  Cu  Cu238  1  0.806441  0.888985  0.654834  1
  Cu  Cu239  1  0.475320  0.470370  0.691820  1
  Cu  Cu240  1  0.253942  0.027465  0.646170  1
