# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91655976
_cell_length_b   21.88099398
_cell_length_c   52.61768783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr48 Cu240'
_cell_volume   7963.22414458
_cell_formula_units_Z   48
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  0.247254  0.349244  0.293446  1
  Zr  Zr2  1  0.257296  0.051626  0.256216  1
  Zr  Zr3  1  0.249100  0.649926  0.334480  1
  Zr  Zr4  1  0.756798  0.200339  0.274159  1
  Zr  Zr5  1  0.752406  0.799769  0.355898  1
  Zr  Zr6  1  0.746311  0.500326  0.313372  1
  Zr  Zr7  1  0.751378  0.299986  0.355941  1
  Zr  Zr8  1  0.746022  1.000317  0.312979  1
  Zr  Zr9  1  0.761397  0.701603  0.274525  1
  Zr  Zr10  1  0.249354  0.150098  0.334568  1
  Zr  Zr11  1  0.248524  0.849456  0.293304  1
  Zr  Zr12  1  0.250886  0.449839  0.376489  1
  Zr  Zr13  1  0.250301  0.249821  0.418356  1
  Zr  Zr14  1  0.250941  0.949688  0.376616  1
  Zr  Zr15  1  0.250524  0.549681  0.460059  1
  Zr  Zr16  1  0.750337  0.099687  0.397502  1
  Zr  Zr17  1  0.750533  0.699605  0.480988  1
  Zr  Zr18  1  0.750431  0.399819  0.439164  1
  Zr  Zr19  1  0.750468  0.199644  0.480966  1
  Zr  Zr20  1  0.750574  0.899664  0.439239  1
  Zr  Zr21  1  0.750691  0.599567  0.397323  1
  Zr  Zr22  1  0.250496  0.049612  0.460088  1
  Zr  Zr23  1  0.250582  0.749721  0.418377  1
  Zr  Zr24  1  0.250488  0.349706  0.501873  1
  Zr  Zr25  1  0.250525  0.149587  0.543609  1
  Zr  Zr26  1  0.250579  0.849571  0.501907  1
  Zr  Zr27  1  0.250518  0.449568  0.585393  1
  Zr  Zr28  1  0.750547  0.999569  0.522766  1
  Zr  Zr29  1  0.750445  0.599611  0.606378  1
  Zr  Zr30  1  0.750396  0.299605  0.564477  1
  Zr  Zr31  1  0.750566  0.099400  0.606136  1
  Zr  Zr32  1  0.750425  0.799492  0.564610  1
  Zr  Zr33  1  0.750467  0.499695  0.522760  1
  Zr  Zr34  1  0.250695  0.949408  0.585455  1
  Zr  Zr35  1  0.250516  0.649624  0.543691  1
  Zr  Zr36  1  0.250857  0.249717  0.626886  1
  Zr  Zr37  1  0.250025  0.048360  0.669412  1
  Zr  Zr38  1  0.251110  0.749560  0.627131  1
  Zr  Zr39  1  0.246485  0.349593  0.710187  1
  Zr  Zr40  1  0.751014  0.899526  0.648300  1
  Zr  Zr41  1  0.762889  0.497813  0.728816  1
  Zr  Zr42  1  0.746021  0.199579  0.690472  1
  Zr  Zr43  1  0.770417  0.998159  0.728622  1
  Zr  Zr44  1  0.745389  0.699189  0.690200  1
  Zr  Zr45  1  0.751027  0.399578  0.648161  1
  Zr  Zr46  1  0.246974  0.850142  0.709919  1
  Zr  Zr47  1  0.249564  0.548742  0.669363  1
  Zr  Zr48  1  0.234873  0.154544  0.747658  1
  Cu  Cu49  1  0.499583  0.400173  0.334540  1
  Cu  Cu50  1  0.501367  0.100781  0.294646  1
  Cu  Cu51  1  0.506565  0.793728  0.259545  1
  Cu  Cu52  1  0.125531  0.350125  0.345243  1
  Cu  Cu53  1  0.123725  0.049735  0.303950  1
  Cu  Cu54  1  0.136651  0.752252  0.262052  1
  Cu  Cu55  1  0.374295  0.324896  0.376507  1
  Cu  Cu56  1  0.375707  0.024140  0.334339  1
  Cu  Cu57  1  0.374001  0.723609  0.293536  1
  Cu  Cu58  1  0.407935  0.171058  0.252557  1
  Cu  Cu59  1  0.376043  0.775506  0.334988  1
  Cu  Cu60  1  0.371759  0.472994  0.291454  1
  Cu  Cu61  1  0.128473  0.151339  0.282208  1
  Cu  Cu62  1  0.127456  0.750131  0.366270  1
  Cu  Cu63  1  0.127467  0.450708  0.324194  1
  Cu  Cu64  1  1.001162  0.250858  0.314141  1
  Cu  Cu65  1  0.992829  0.952961  0.277064  1
  Cu  Cu66  1  1.000278  0.549520  0.355578  1
  Cu  Cu67  1  0.627174  0.200066  0.324980  1
  Cu  Cu68  1  0.623892  0.899515  0.281138  1
  Cu  Cu69  1  0.624760  0.499542  0.365874  1
  Cu  Cu70  1  0.874990  0.174424  0.355664  1
  Cu  Cu71  1  0.873848  0.874834  0.313255  1
  Cu  Cu72  1  0.862158  0.575828  0.271912  1
  Cu  Cu73  1  0.879397  0.324270  0.271218  1
  Cu  Cu74  1  0.873247  0.925264  0.355483  1
  Cu  Cu75  1  0.877459  0.624413  0.313590  1
  Cu  Cu76  1  0.630186  0.301121  0.304042  1
  Cu  Cu77  1  0.623362  0.003497  0.262206  1
  Cu  Cu78  1  0.626261  0.599973  0.345010  1
  Cu  Cu79  1  0.981085  0.450092  0.278165  1
  Cu  Cu80  1  0.998756  0.049501  0.355980  1
  Cu  Cu81  1  0.004184  0.750641  0.314086  1
  Cu  Cu82  1  0.620042  0.399096  0.281457  1
  Cu  Cu83  1  0.626070  0.999493  0.366052  1
  Cu  Cu84  1  0.627897  0.699632  0.324776  1
  Cu  Cu85  1  0.872039  0.374709  0.313457  1
  Cu  Cu86  1  0.872026  0.074027  0.270770  1
  Cu  Cu87  1  0.876126  0.674263  0.355532  1
  Cu  Cu88  1  0.874835  0.124668  0.313674  1
  Cu  Cu89  1  0.881807  0.823868  0.271095  1
  Cu  Cu90  1  0.874055  0.425511  0.355465  1
  Cu  Cu91  1  0.626193  0.100064  0.345328  1
  Cu  Cu92  1  0.631405  0.801366  0.304094  1
  Cu  Cu93  1  0.635884  0.501305  0.262999  1
  Cu  Cu94  1  0.505330  0.292449  0.259484  1
  Cu  Cu95  1  0.500729  0.899681  0.334960  1
  Cu  Cu96  1  0.505045  0.601493  0.294953  1
  Cu  Cu97  1  0.134677  0.252675  0.261976  1
  Cu  Cu98  1  0.125880  0.849815  0.345347  1
  Cu  Cu99  1  0.124988  0.549585  0.302368  1
  Cu  Cu100  1  0.373777  0.223533  0.293388  1
  Cu  Cu101  1  0.374960  0.824775  0.376502  1
  Cu  Cu102  1  0.373734  0.524518  0.333831  1
  Cu  Cu103  1  0.375180  0.275658  0.335032  1
  Cu  Cu104  1  0.372402  0.971941  0.292015  1
  Cu  Cu105  1  0.420352  0.676246  0.252897  1
  Cu  Cu106  1  0.126686  0.250213  0.366205  1
  Cu  Cu107  1  0.126564  0.950183  0.324474  1
  Cu  Cu108  1  0.131762  0.650469  0.281847  1
  Cu  Cu109  1  0.500418  0.299747  0.460110  1
  Cu  Cu110  1  0.500519  0.999714  0.418292  1
  Cu  Cu111  1  0.500258  0.699700  0.376706  1
  Cu  Cu112  1  0.126271  0.249439  0.470580  1
  Cu  Cu113  1  0.126304  0.949419  0.428789  1
  Cu  Cu114  1  0.126730  0.649378  0.387008  1
  Cu  Cu115  1  0.374705  0.224485  0.501743  1
  Cu  Cu116  1  0.374724  0.924466  0.460030  1
  Cu  Cu117  1  0.375048  0.624377  0.418122  1
  Cu  Cu118  1  0.373908  0.074782  0.376552  1
  Cu  Cu119  1  0.374694  0.674784  0.460167  1
  Cu  Cu120  1  0.374875  0.375045  0.418433  1
  Cu  Cu121  1  0.126110  0.049929  0.407799  1
  Cu  Cu122  1  0.126365  0.649898  0.491403  1
  Cu  Cu123  1  0.126293  0.350083  0.449639  1
  Cu  Cu124  1  1.000489  0.149682  0.439221  1
  Cu  Cu125  1  1.000751  0.849815  0.397485  1
  Cu  Cu126  1  1.000452  0.449722  0.480967  1
  Cu  Cu127  1  0.626193  0.099388  0.449695  1
  Cu  Cu128  1  0.626605  0.799411  0.407926  1
  Cu  Cu129  1  0.626285  0.399448  0.491438  1
  Cu  Cu130  1  0.874762  0.074435  0.480873  1
  Cu  Cu131  1  0.874759  0.774481  0.439144  1
  Cu  Cu132  1  0.874484  0.474652  0.397192  1
  Cu  Cu133  1  0.874794  0.224808  0.397641  1
  Cu  Cu134  1  0.874768  0.824780  0.481116  1
  Cu  Cu135  1  0.874777  0.524934  0.439231  1
  Cu  Cu136  1  0.626019  0.200005  0.428744  1
  Cu  Cu137  1  0.626753  0.900056  0.386968  1
  Cu  Cu138  1  0.626386  0.499996  0.470485  1
  Cu  Cu139  1  1.000543  0.349946  0.397481  1
  Cu  Cu140  1  1.000531  0.949603  0.481011  1
  Cu  Cu141  1  1.000571  0.649625  0.439183  1
  Cu  Cu142  1  0.626251  0.299549  0.407941  1
  Cu  Cu143  1  0.626399  0.899321  0.491488  1
  Cu  Cu144  1  0.626356  0.599389  0.449633  1
  Cu  Cu145  1  0.874613  0.274610  0.439129  1
  Cu  Cu146  1  0.874676  0.974500  0.397288  1
  Cu  Cu147  1  0.874742  0.574478  0.480871  1
  Cu  Cu148  1  0.874669  0.024831  0.439284  1
  Cu  Cu149  1  0.875007  0.724681  0.397610  1
  Cu  Cu150  1  0.874692  0.324904  0.481073  1
  Cu  Cu151  1  0.626376  0.999903  0.470521  1
  Cu  Cu152  1  0.626271  0.699882  0.428707  1
  Cu  Cu153  1  0.626451  0.400259  0.386918  1
  Cu  Cu154  1  0.499920  0.199692  0.376695  1
  Cu  Cu155  1  0.500594  0.799625  0.460138  1
  Cu  Cu156  1  0.500453  0.499805  0.418243  1
  Cu  Cu157  1  0.126401  0.149363  0.386985  1
  Cu  Cu158  1  0.126397  0.749342  0.470603  1
  Cu  Cu159  1  0.126215  0.449530  0.428727  1
  Cu  Cu160  1  0.374596  0.124474  0.418203  1
  Cu  Cu161  1  0.374805  0.724404  0.501791  1
  Cu  Cu162  1  0.374601  0.424595  0.459994  1
  Cu  Cu163  1  0.374551  0.174830  0.460178  1
  Cu  Cu164  1  0.375110  0.874897  0.418472  1
  Cu  Cu165  1  0.373737  0.574839  0.376266  1
  Cu  Cu166  1  0.126317  0.149897  0.491381  1
  Cu  Cu167  1  0.126415  0.849956  0.449668  1
  Cu  Cu168  1  0.126462  0.549956  0.407728  1
  Cu  Cu169  1  0.500543  0.199479  0.585394  1
  Cu  Cu170  1  0.500595  0.899524  0.543673  1
  Cu  Cu171  1  0.500478  0.599649  0.501873  1
  Cu  Cu172  1  0.126179  0.149225  0.595864  1
  Cu  Cu173  1  0.126340  0.849231  0.554171  1
  Cu  Cu174  1  0.126342  0.549399  0.512349  1
  Cu  Cu175  1  0.373806  0.124227  0.627123  1
  Cu  Cu176  1  0.374945  0.824403  0.585383  1
  Cu  Cu177  1  0.374645  0.524487  0.543588  1
  Cu  Cu178  1  0.374742  0.974758  0.501984  1
  Cu  Cu179  1  0.374799  0.574841  0.585620  1
  Cu  Cu180  1  0.374701  0.274786  0.543707  1
  Cu  Cu181  1  0.126350  0.949800  0.533189  1
  Cu  Cu182  1  0.126423  0.549830  0.616767  1
  Cu  Cu183  1  0.126208  0.249842  0.574887  1
  Cu  Cu184  1  1.000677  0.049455  0.564522  1
  Cu  Cu185  1  1.000461  0.749577  0.522789  1
  Cu  Cu186  1  1.000174  0.349588  0.606258  1
  Cu  Cu187  1  0.626262  0.999160  0.575017  1
  Cu  Cu188  1  0.626395  0.699297  0.533261  1
  Cu  Cu189  1  0.626490  0.299319  0.616727  1
  Cu  Cu190  1  0.875088  0.974273  0.606196  1
  Cu  Cu191  1  0.874782  0.674364  0.564503  1
  Cu  Cu192  1  0.874614  0.374522  0.522644  1
  Cu  Cu193  1  0.874730  0.124740  0.522834  1
  Cu  Cu194  1  0.874382  0.724567  0.606520  1
  Cu  Cu195  1  0.874600  0.424834  0.564613  1
  Cu  Cu196  1  0.626219  0.099777  0.554011  1
  Cu  Cu197  1  0.626366  0.799844  0.512323  1
  Cu  Cu198  1  0.626521  0.399907  0.595879  1
  Cu  Cu199  1  1.000426  0.249637  0.522711  1
  Cu  Cu200  1  1.000287  0.849462  0.606348  1
  Cu  Cu201  1  1.000473  0.549616  0.564580  1
  Cu  Cu202  1  0.626333  0.199307  0.533187  1
  Cu  Cu203  1  0.626639  0.799210  0.616880  1
  Cu  Cu204  1  0.626221  0.499372  0.575047  1
  Cu  Cu205  1  0.874747  0.174374  0.564395  1
  Cu  Cu206  1  0.874733  0.874359  0.522703  1
  Cu  Cu207  1  0.874807  0.474476  0.606194  1
  Cu  Cu208  1  0.874725  0.924677  0.564654  1
  Cu  Cu209  1  0.874719  0.624807  0.522874  1
  Cu  Cu210  1  0.874563  0.224650  0.606350  1
  Cu  Cu211  1  0.626629  0.899773  0.595964  1
  Cu  Cu212  1  0.626280  0.599879  0.554108  1
  Cu  Cu213  1  0.626315  0.299933  0.512250  1
  Cu  Cu214  1  0.500447  0.099596  0.501855  1
  Cu  Cu215  1  0.500490  0.699490  0.585500  1
  Cu  Cu216  1  0.500546  0.399679  0.543618  1
  Cu  Cu217  1  0.126385  0.049293  0.512334  1
  Cu  Cu218  1  0.126282  0.649281  0.595996  1
  Cu  Cu219  1  0.126196  0.349357  0.554098  1
  Cu  Cu220  1  0.374700  0.024327  0.543566  1
  Cu  Cu221  1  0.373339  0.624329  0.627445  1
  Cu  Cu222  1  0.374926  0.324525  0.585242  1
  Cu  Cu223  1  0.374629  0.074667  0.585509  1
  Cu  Cu224  1  0.374732  0.774732  0.543795  1
  Cu  Cu225  1  0.374752  0.474900  0.501966  1
  Cu  Cu226  1  0.126600  0.049771  0.616787  1
  Cu  Cu227  1  0.126246  0.749818  0.575034  1
  Cu  Cu228  1  0.126272  0.449955  0.533158  1
  Cu  Cu229  1  0.500337  0.101348  0.707371  1
  Cu  Cu230  1  0.499556  0.799129  0.669194  1
  Cu  Cu231  1  0.499952  0.499522  0.627047  1
  Cu  Cu232  1  0.139501  0.050247  0.722523  1
  Cu  Cu233  1  0.127608  0.748670  0.679393  1
  Cu  Cu234  1  0.127523  0.449121  0.637546  1
  Cu  Cu235  1  0.470009  0.058609  0.749259  1
  Cu  Cu236  1  0.370141  0.726120  0.712235  1
  Cu  Cu237  1  0.376086  0.423647  0.669250  1
  Cu  Cu238  1  0.375332  0.874738  0.627499  1
  Cu  Cu239  1  0.375944  0.475192  0.711117  1
  Cu  Cu240  1  0.374995  0.175091  0.669046  1
  Cu  Cu241  1  0.126767  0.849335  0.658474  1
  Cu  Cu242  1  0.130637  0.450669  0.741597  1
  Cu  Cu243  1  0.121334  0.149710  0.699473  1
  Cu  Cu244  1  0.004420  0.948200  0.689455  1
  Cu  Cu245  1  1.000328  0.649670  0.648078  1
  Cu  Cu246  1  0.989410  0.247612  0.726357  1
  Cu  Cu247  1  0.629019  0.898473  0.700766  1
  Cu  Cu248  1  0.625696  0.599011  0.658611  1
  Cu  Cu249  1  0.607064  0.189745  0.741273  1
  Cu  Cu250  1  0.890914  0.872103  0.731794  1
  Cu  Cu251  1  0.876703  0.574861  0.689940  1
  Cu  Cu252  1  0.873198  0.274134  0.648023  1
  Cu  Cu253  1  0.875290  0.024658  0.648083  1
  Cu  Cu254  1  0.858467  0.622741  0.731759  1
  Cu  Cu255  1  0.872083  0.324805  0.690197  1
  Cu  Cu256  1  0.626663  0.999244  0.679137  1
  Cu  Cu257  1  0.624701  0.699663  0.637756  1
  Cu  Cu258  1  0.626278  0.297090  0.721885  1
  Cu  Cu259  1  0.999424  0.149723  0.647483  1
  Cu  Cu260  1  0.981325  0.748876  0.725347  1
  Cu  Cu261  1  0.004229  0.448455  0.689702  1
  Cu  Cu262  1  0.626606  0.098950  0.658211  1
  Cu  Cu263  1  0.633863  0.697288  0.740661  1
  Cu  Cu264  1  0.629151  0.397597  0.700651  1
  Cu  Cu265  1  0.877279  0.074637  0.689873  1
  Cu  Cu266  1  0.874452  0.773815  0.648139  1
  Cu  Cu267  1  0.891835  0.373958  0.731849  1
  Cu  Cu268  1  0.871506  0.824755  0.690005  1
  Cu  Cu269  1  0.875497  0.524811  0.648222  1
  Cu  Cu270  1  0.861419  0.123139  0.732925  1
  Cu  Cu271  1  0.622450  0.798241  0.721178  1
  Cu  Cu272  1  0.626722  0.499184  0.679237  1
  Cu  Cu273  1  0.626217  0.199684  0.637493  1
  Cu  Cu274  1  0.500186  0.999538  0.627058  1
  Cu  Cu275  1  0.505736  0.599218  0.708084  1
  Cu  Cu276  1  0.500602  0.299612  0.668747  1
  Cu  Cu277  1  0.127806  0.949002  0.637659  1
  Cu  Cu278  1  0.131050  0.549532  0.721531  1
  Cu  Cu279  1  0.125797  0.249297  0.678955  1
  Cu  Cu280  1  0.375798  0.924153  0.669575  1
  Cu  Cu281  1  0.429163  0.537279  0.749076  1
  Cu  Cu282  1  0.370531  0.227833  0.711074  1
  Cu  Cu283  1  0.383424  0.977666  0.712681  1
  Cu  Cu284  1  0.373131  0.674682  0.669759  1
  Cu  Cu285  1  0.375069  0.374736  0.627326  1
  Cu  Cu286  1  0.125108  0.947815  0.741147  1
  Cu  Cu287  1  0.123362  0.649835  0.701101  1
  Cu  Cu288  1  0.125863  0.349634  0.658322  1
