# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.56010433
_cell_length_b   15.54387208
_cell_length_c   47.15232832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr189 Cu63'
_cell_volume   10851.1863966
_cell_formula_units_Z   63
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  0.821614  0.317212  0.292215  1
  Zr  Zr2  1  0.154525  0.986917  0.292702  1
  Zr  Zr3  1  0.191112  0.357565  0.273050  1
  Zr  Zr4  1  0.441445  0.275418  0.310692  1
  Zr  Zr5  1  0.780145  0.946620  0.313421  1
  Zr  Zr6  1  0.112907  0.613881  0.313508  1
  Zr  Zr7  1  0.485784  0.650171  0.292731  1
  Zr  Zr8  1  0.512448  0.028204  0.272388  1
  Zr  Zr9  1  0.852625  0.690698  0.271417  1
  Zr  Zr10  1  0.991846  0.155417  0.291858  1
  Zr  Zr11  1  0.317212  0.818383  0.292869  1
  Zr  Zr12  1  0.237542  0.070282  0.339122  1
  Zr  Zr13  1  0.610795  0.115115  0.313916  1
  Zr  Zr14  1  0.943424  0.782735  0.313370  1
  Zr  Zr15  1  0.276831  0.451686  0.314732  1
  Zr  Zr16  1  0.650856  0.485713  0.292319  1
  Zr  Zr17  1  0.685582  0.859182  0.271475  1
  Zr  Zr18  1  0.022856  0.522210  0.271477  1
  Zr  Zr19  1  0.805360  0.134709  0.303336  1
  Zr  Zr20  1  0.133482  0.803495  0.303771  1
  Zr  Zr21  1  0.200239  0.169662  0.283921  1
  Zr  Zr22  1  0.417738  0.097131  0.325230  1
  Zr  Zr23  1  0.758231  0.761084  0.326459  1
  Zr  Zr24  1  0.092532  0.427927  0.326958  1
  Zr  Zr25  1  0.467145  0.465862  0.303139  1
  Zr  Zr26  1  0.504847  0.839709  0.281146  1
  Zr  Zr27  1  0.839551  0.505490  0.281025  1
  Zr  Zr28  1  0.701252  0.200375  0.358531  1
  Zr  Zr29  1  0.033099  0.867417  0.359103  1
  Zr  Zr30  1  0.076673  0.239534  0.336467  1
  Zr  Zr31  1  0.327068  0.162241  0.381962  1
  Zr  Zr32  1  0.660110  0.829124  0.381903  1
  Zr  Zr33  1  0.993474  0.495834  0.382069  1
  Zr  Zr34  1  0.368329  0.534239  0.359267  1
  Zr  Zr35  1  0.406786  0.906701  0.337048  1
  Zr  Zr36  1  0.740532  0.572975  0.336641  1
  Zr  Zr37  1  0.866293  0.034192  0.358992  1
  Zr  Zr38  1  0.199593  0.700929  0.359168  1
  Zr  Zr39  1  0.121127  0.956479  0.404020  1
  Zr  Zr40  1  0.493621  0.996695  0.381205  1
  Zr  Zr41  1  0.827225  0.662248  0.381793  1
  Zr  Zr42  1  0.160781  0.329209  0.382386  1
  Zr  Zr43  1  0.532633  0.365354  0.357746  1
  Zr  Zr44  1  0.572550  0.740518  0.336835  1
  Zr  Zr45  1  0.906899  0.406801  0.336679  1
  Zr  Zr46  1  0.680666  0.015054  0.369742  1
  Zr  Zr47  1  0.013421  0.682201  0.369740  1
  Zr  Zr48  1  0.051700  0.055183  0.347968  1
  Zr  Zr49  1  0.309578  0.974541  0.393661  1
  Zr  Zr50  1  0.641715  0.642111  0.392630  1
  Zr  Zr51  1  0.975420  0.308774  0.392514  1
  Zr  Zr52  1  0.348646  0.347967  0.369442  1
  Zr  Zr53  1  0.387122  0.721099  0.348305  1
  Zr  Zr54  1  0.720459  0.387396  0.347570  1
  Zr  Zr55  1  0.582480  0.083678  0.425844  1
  Zr  Zr56  1  0.915700  0.750397  0.426033  1
  Zr  Zr57  1  0.954627  0.122633  0.404022  1
  Zr  Zr58  1  0.209856  0.044332  0.448624  1
  Zr  Zr59  1  0.543818  0.710999  0.448486  1
  Zr  Zr60  1  0.876822  0.377608  0.448287  1
  Zr  Zr61  1  0.249795  0.416977  0.426030  1
  Zr  Zr62  1  0.288127  0.789034  0.404209  1
  Zr  Zr63  1  0.621091  0.455150  0.403428  1
  Zr  Zr64  1  0.748853  0.917303  0.426057  1
  Zr  Zr65  1  0.081962  0.584298  0.426232  1
  Zr  Zr66  1  0.003654  0.838514  0.470864  1
  Zr  Zr67  1  0.376778  0.877092  0.448869  1
  Zr  Zr68  1  0.709747  0.543967  0.448203  1
  Zr  Zr69  1  0.042827  0.211241  0.448583  1
  Zr  Zr70  1  0.415785  0.250584  0.425933  1
  Zr  Zr71  1  0.455179  0.623016  0.404152  1
  Zr  Zr72  1  0.788244  0.289643  0.403741  1
  Zr  Zr73  1  0.562278  0.897993  0.437330  1
  Zr  Zr74  1  0.895838  0.564313  0.437612  1
  Zr  Zr75  1  0.935105  0.936577  0.414962  1
  Zr  Zr76  1  0.189725  0.858428  0.459707  1
  Zr  Zr77  1  0.523920  0.524470  0.459614  1
  Zr  Zr78  1  0.856638  0.191541  0.459681  1
  Zr  Zr79  1  0.229587  0.230736  0.437713  1
  Zr  Zr80  1  0.268772  0.603351  0.415046  1
  Zr  Zr81  1  0.601916  0.269689  0.414380  1
  Zr  Zr82  1  0.464920  0.966117  0.493131  1
  Zr  Zr83  1  0.797700  0.632693  0.493112  1
  Zr  Zr84  1  0.837134  0.005331  0.470741  1
  Zr  Zr85  1  0.091452  0.926800  0.515528  1
  Zr  Zr86  1  0.425391  0.593295  0.515387  1
  Zr  Zr87  1  0.758505  0.259962  0.515434  1
  Zr  Zr88  1  0.131212  0.299369  0.493157  1
  Zr  Zr89  1  0.170579  0.671872  0.470806  1
  Zr  Zr90  1  0.504292  0.338319  0.470575  1
  Zr  Zr91  1  0.631572  0.799634  0.493014  1
  Zr  Zr92  1  0.964604  0.466021  0.493190  1
  Zr  Zr93  1  0.886154  0.720935  0.537806  1
  Zr  Zr94  1  0.258735  0.760306  0.515259  1
  Zr  Zr95  1  0.592337  0.426255  0.515420  1
  Zr  Zr96  1  0.925263  0.093243  0.515624  1
  Zr  Zr97  1  0.298249  0.132577  0.493132  1
  Zr  Zr98  1  0.337505  0.505065  0.470717  1
  Zr  Zr99  1  0.670526  0.171922  0.470518  1
  Zr  Zr100  1  0.445724  0.779216  0.504203  1
  Zr  Zr101  1  0.778426  0.446184  0.503927  1
  Zr  Zr102  1  0.817674  0.818968  0.481917  1
  Zr  Zr103  1  0.072510  0.740299  0.526595  1
  Zr  Zr104  1  0.406017  0.406888  0.526410  1
  Zr  Zr105  1  0.739020  0.073845  0.526510  1
  Zr  Zr106  1  0.111624  0.112965  0.504050  1
  Zr  Zr107  1  0.151060  0.485564  0.481825  1
  Zr  Zr108  1  0.484532  0.152268  0.481852  1
  Zr  Zr109  1  0.347767  0.848602  0.559551  1
  Zr  Zr110  1  0.680783  0.514710  0.559657  1
  Zr  Zr111  1  0.719721  0.887696  0.537808  1
  Zr  Zr112  1  0.974276  0.809392  0.582386  1
  Zr  Zr113  1  0.307402  0.475850  0.582041  1
  Zr  Zr114  1  0.641410  0.142702  0.582537  1
  Zr  Zr115  1  0.014248  0.181774  0.559645  1
  Zr  Zr116  1  0.052963  0.554259  0.537712  1
  Zr  Zr117  1  0.386445  0.220853  0.537673  1
  Zr  Zr118  1  0.514064  0.681242  0.559824  1
  Zr  Zr119  1  0.847044  0.348478  0.559698  1
  Zr  Zr120  1  0.768987  0.603247  0.604429  1
  Zr  Zr121  1  0.141189  0.642145  0.582466  1
  Zr  Zr122  1  0.474628  0.308773  0.582222  1
  Zr  Zr123  1  0.807737  0.976127  0.582554  1
  Zr  Zr124  1  0.180466  0.014872  0.559524  1
  Zr  Zr125  1  0.219602  0.387489  0.537595  1
  Zr  Zr126  1  0.553253  0.054317  0.537776  1
  Zr  Zr127  1  0.326459  0.663138  0.571008  1
  Zr  Zr128  1  0.661392  0.328150  0.571581  1
  Zr  Zr129  1  0.699911  0.701498  0.548837  1
  Zr  Zr130  1  0.954843  0.622917  0.593635  1
  Zr  Zr131  1  0.288074  0.289470  0.593457  1
  Zr  Zr132  1  0.621855  0.956383  0.593798  1
  Zr  Zr133  1  0.993953  0.995634  0.571755  1
  Zr  Zr134  1  0.033339  0.368125  0.548863  1
  Zr  Zr135  1  0.367053  0.034708  0.548783  1
  Zr  Zr136  1  0.226603  0.731502  0.627443  1
  Zr  Zr137  1  0.561576  0.397373  0.626880  1
  Zr  Zr138  1  0.601921  0.770070  0.604507  1
  Zr  Zr139  1  0.856769  0.691481  0.649660  1
  Zr  Zr140  1  0.191855  0.358478  0.649995  1
  Zr  Zr141  1  0.524725  0.025433  0.649947  1
  Zr  Zr142  1  0.893755  0.064552  0.627826  1
  Zr  Zr143  1  0.935020  0.436873  0.604466  1
  Zr  Zr144  1  0.268344  0.103116  0.604130  1
  Zr  Zr145  1  0.395436  0.564831  0.625992  1
  Zr  Zr146  1  0.729551  0.229072  0.628198  1
  Zr  Zr147  1  0.651025  0.482385  0.671887  1
  Zr  Zr148  1  0.024163  0.524225  0.649647  1
  Zr  Zr149  1  0.357263  0.189725  0.649080  1
  Zr  Zr150  1  0.690434  0.857649  0.649792  1
  Zr  Zr151  1  0.062528  0.895843  0.627641  1
  Zr  Zr152  1  0.102623  0.270335  0.604516  1
  Zr  Zr153  1  0.436141  0.936904  0.604477  1
  Zr  Zr154  1  0.209559  0.542560  0.638570  1
  Zr  Zr155  1  0.542761  0.210127  0.638412  1
  Zr  Zr156  1  0.583403  0.582006  0.615289  1
  Zr  Zr157  1  0.836467  0.505050  0.660514  1
  Zr  Zr158  1  0.171068  0.171289  0.660265  1
  Zr  Zr159  1  0.503935  0.838925  0.660558  1
  Zr  Zr160  1  0.874923  0.877037  0.638483  1
  Zr  Zr161  1  0.915699  0.249421  0.614885  1
  Zr  Zr162  1  0.249057  0.915893  0.614840  1
  Zr  Zr163  1  0.111302  0.614090  0.694120  1
  Zr  Zr164  1  0.440669  0.279579  0.693363  1
  Zr  Zr165  1  0.485561  0.653387  0.670072  1
  Zr  Zr166  1  0.736891  0.568772  0.716146  1
  Zr  Zr167  1  0.070823  0.234839  0.715762  1
  Zr  Zr168  1  0.402333  0.899522  0.716126  1
  Zr  Zr169  1  0.776016  0.948012  0.694241  1
  Zr  Zr170  1  0.819694  0.318373  0.670557  1
  Zr  Zr171  1  0.151855  0.985002  0.670341  1
  Zr  Zr172  1  0.281894  0.446302  0.696175  1
  Zr  Zr173  1  0.611536  0.115242  0.695436  1
  Zr  Zr174  1  0.521632  0.381994  0.734483  1
  Zr  Zr175  1  0.905314  0.403437  0.715776  1
  Zr  Zr176  1  0.235463  0.068010  0.715811  1
  Zr  Zr177  1  0.568503  0.734739  0.716046  1
  Zr  Zr178  1  0.945366  0.778901  0.694166  1
  Zr  Zr179  1  0.985815  0.151041  0.670549  1
  Zr  Zr180  1  0.318261  0.817425  0.670703  1
  Zr  Zr181  1  0.090640  0.422410  0.705142  1
  Zr  Zr182  1  0.421130  0.086614  0.704945  1
  Zr  Zr183  1  0.459662  0.472444  0.682131  1
  Zr  Zr184  1  0.714786  0.366361  0.725303  1
  Zr  Zr185  1  0.038144  0.034837  0.723163  1
  Zr  Zr186  1  0.371843  0.696888  0.723057  1
  Zr  Zr187  1  0.754362  0.755775  0.705155  1
  Zr  Zr188  1  0.799520  0.133585  0.687216  1
  Zr  Zr189  1  0.131337  0.801162  0.686974  1
  Cu  Cu190  1  0.009079  0.339533  0.284875  1
  Cu  Cu191  1  0.339220  0.998744  0.285499  1
  Cu  Cu192  1  0.258412  0.263933  0.328014  1
  Cu  Cu193  1  0.634162  0.300347  0.306338  1
  Cu  Cu194  1  0.968166  0.968764  0.306808  1
  Cu  Cu195  1  0.300484  0.635409  0.307086  1
  Cu  Cu196  1  0.671574  0.673280  0.284814  1
  Cu  Cu197  1  0.591578  0.928202  0.325831  1
  Cu  Cu198  1  0.926099  0.594164  0.325817  1
  Cu  Cu199  1  0.887465  0.221169  0.348178  1
  Cu  Cu200  1  0.219702  0.886914  0.348809  1
  Cu  Cu201  1  0.140994  0.142487  0.393318  1
  Cu  Cu202  1  0.513528  0.181604  0.369770  1
  Cu  Cu203  1  0.846716  0.848838  0.370098  1
  Cu  Cu204  1  0.180016  0.516082  0.370790  1
  Cu  Cu205  1  0.553583  0.553879  0.348221  1
  Cu  Cu206  1  0.474944  0.808785  0.392968  1
  Cu  Cu207  1  0.808173  0.475688  0.392728  1
  Cu  Cu208  1  0.768408  0.103439  0.414659  1
  Cu  Cu209  1  0.101620  0.770010  0.415170  1
  Cu  Cu210  1  0.023078  0.024786  0.459776  1
  Cu  Cu211  1  0.396463  0.064220  0.437377  1
  Cu  Cu212  1  0.729622  0.730765  0.437329  1
  Cu  Cu213  1  0.062675  0.397665  0.437521  1
  Cu  Cu214  1  0.435574  0.436531  0.414922  1
  Cu  Cu215  1  0.356996  0.691175  0.459663  1
  Cu  Cu216  1  0.690279  0.357892  0.459510  1
  Cu  Cu217  1  0.651182  0.985729  0.481879  1
  Cu  Cu218  1  0.984130  0.652462  0.482016  1
  Cu  Cu219  1  0.905572  0.907231  0.526640  1
  Cu  Cu220  1  0.278477  0.946329  0.504207  1
  Cu  Cu221  1  0.611952  0.612875  0.504136  1
  Cu  Cu222  1  0.944823  0.279698  0.504244  1
  Cu  Cu223  1  0.317933  0.318996  0.481904  1
  Cu  Cu224  1  0.239131  0.573753  0.526473  1
  Cu  Cu225  1  0.572690  0.240375  0.526490  1
  Cu  Cu226  1  0.533710  0.868023  0.548666  1
  Cu  Cu227  1  0.866622  0.534687  0.548800  1
  Cu  Cu228  1  0.788190  0.789725  0.593775  1
  Cu  Cu229  1  0.160484  0.828575  0.570921  1
  Cu  Cu230  1  0.494080  0.495063  0.570910  1
  Cu  Cu231  1  0.827177  0.161869  0.571149  1
  Cu  Cu232  1  0.200158  0.201281  0.548659  1
  Cu  Cu233  1  0.121285  0.456343  0.593425  1
  Cu  Cu234  1  0.455156  0.122849  0.593563  1
  Cu  Cu235  1  0.416069  0.750299  0.615006  1
  Cu  Cu236  1  0.749101  0.416697  0.615464  1
  Cu  Cu237  1  0.670787  0.671353  0.659960  1
  Cu  Cu238  1  0.042344  0.711088  0.638472  1
  Cu  Cu239  1  0.375665  0.377686  0.637884  1
  Cu  Cu240  1  0.709114  0.044733  0.639029  1
  Cu  Cu241  1  0.082741  0.083490  0.615114  1
  Cu  Cu242  1  0.004411  0.338289  0.659842  1
  Cu  Cu243  1  0.337295  0.004368  0.659717  1
  Cu  Cu244  1  0.294589  0.631445  0.679012  1
  Cu  Cu245  1  0.626527  0.299555  0.681269  1
  Cu  Cu246  1  0.554554  0.551646  0.722737  1
  Cu  Cu247  1  0.923661  0.590880  0.701607  1
  Cu  Cu248  1  0.256450  0.256317  0.701603  1
  Cu  Cu249  1  0.589130  0.924055  0.701919  1
  Cu  Cu250  1  0.962329  0.963336  0.679680  1
  Cu  Cu251  1  0.892775  0.221793  0.722484  1
  Cu  Cu252  1  0.222873  0.888613  0.722363  1
