# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.44138645
_cell_length_b   14.88162490
_cell_length_c   50.32717822
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.00197500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr128 Cu64'
_cell_volume   8444.82093047
_cell_formula_units_Z   64
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  0.050282  0.591241  0.299725  1
  Zr  Zr2  1  0.489304  0.842565  0.332924  1
  Zr  Zr3  1  0.350106  0.685020  0.380731  1
  Zr  Zr4  1  0.830096  0.659657  0.293275  1
  Zr  Zr5  1  0.210785  0.394338  0.338037  1
  Zr  Zr6  1  0.949051  0.370093  0.319589  1
  Zr  Zr7  1  0.296689  0.085923  0.366641  1
  Zr  Zr8  1  0.321831  0.884564  0.372872  1
  Zr  Zr9  1  0.708219  0.920227  0.295148  1
  Zr  Zr10  1  0.460036  0.536641  0.357963  1
  Zr  Zr11  1  0.862598  0.843444  0.331084  1
  Zr  Zr12  1  0.088025  0.541167  0.361685  1
  Zr  Zr13  1  0.304584  0.617357  0.322039  1
  Zr  Zr14  1  0.985908  0.188299  0.344561  1
  Zr  Zr15  1  0.967163  0.688284  0.345836  1
  Zr  Zr16  1  0.823043  0.386348  0.372407  1
  Zr  Zr17  1  0.755943  0.989812  0.352039  1
  Zr  Zr18  1  0.794850  0.428827  0.280743  1
  Zr  Zr19  1  0.644888  0.281125  0.325509  1
  Zr  Zr20  1  0.540314  0.064862  0.347633  1
  Zr  Zr21  1  0.517976  0.007471  0.290148  1
  Zr  Zr22  1  0.640326  0.764923  0.373014  1
  Zr  Zr23  1  0.589853  0.695672  0.311751  1
  Zr  Zr24  1  0.595187  0.470486  0.312136  1
  Zr  Zr25  1  0.411605  0.308757  0.349536  1
  Zr  Zr26  1  0.780322  0.150213  0.304020  1
  Zr  Zr27  1  0.559991  0.236560  0.388342  1
  Zr  Zr28  1  0.389385  0.142512  0.306432  1
  Zr  Zr29  1  0.014128  0.010541  0.372875  1
  Zr  Zr30  1  0.300145  0.795782  0.289246  1
  Zr  Zr31  1  0.326179  0.315417  0.293585  1
  Zr  Zr32  1  0.120738  0.986777  0.315243  1
  Zr  Zr33  1  0.446541  0.382807  0.408126  1
  Zr  Zr34  1  0.884927  0.630831  0.443131  1
  Zr  Zr35  1  0.742497  0.470711  0.491530  1
  Zr  Zr36  1  0.237579  0.460701  0.400618  1
  Zr  Zr37  1  0.599791  0.181677  0.450252  1
  Zr  Zr38  1  0.335716  0.157405  0.428775  1
  Zr  Zr39  1  0.695159  0.877514  0.478126  1
  Zr  Zr40  1  0.718748  0.673905  0.484718  1
  Zr  Zr41  1  0.108201  0.709294  0.401880  1
  Zr  Zr42  1  0.855714  0.325307  0.470905  1
  Zr  Zr43  1  0.255805  0.629219  0.443020  1
  Zr  Zr44  1  0.484786  0.326732  0.470728  1
  Zr  Zr45  1  0.709094  0.405760  0.429149  1
  Zr  Zr46  1  0.371697  0.978341  0.456469  1
  Zr  Zr47  1  0.371190  0.479580  0.456601  1
  Zr  Zr48  1  0.218415  0.173858  0.484738  1
  Zr  Zr49  1  0.142637  0.774067  0.464002  1
  Zr  Zr50  1  0.190088  0.236746  0.387594  1
  Zr  Zr51  1  0.046245  0.077820  0.435671  1
  Zr  Zr52  1  0.933202  0.854565  0.457027  1
  Zr  Zr53  1  0.899435  0.788080  0.394155  1
  Zr  Zr54  1  0.031767  0.550494  0.485114  1
  Zr  Zr55  1  0.997682  0.483636  0.423049  1
  Zr  Zr56  1  0.022930  0.282199  0.428521  1
  Zr  Zr57  1  0.808462  0.101636  0.457148  1
  Zr  Zr58  1  0.158126  0.932279  0.415362  1
  Zr  Zr59  1  0.952536  0.021967  0.498860  1
  Zr  Zr60  1  0.789388  0.934412  0.415182  1
  Zr  Zr61  1  0.405078  0.797681  0.485020  1
  Zr  Zr62  1  0.674203  0.584180  0.399214  1
  Zr  Zr63  1  0.678261  0.086950  0.401156  1
  Zr  Zr64  1  0.524093  0.781616  0.428899  1
  Zr  Zr65  1  0.839070  0.166729  0.519420  1
  Zr  Zr66  1  0.278468  0.414838  0.554321  1
  Zr  Zr67  1  0.137390  0.257055  0.602887  1
  Zr  Zr68  1  0.630077  0.246685  0.512283  1
  Zr  Zr69  1  0.990861  0.966606  0.561930  1
  Zr  Zr70  1  0.728180  0.942061  0.540809  1
  Zr  Zr71  1  0.088164  0.663890  0.590473  1
  Zr  Zr72  1  0.116395  0.461659  0.597267  1
  Zr  Zr73  1  0.503315  0.494620  0.512626  1
  Zr  Zr74  1  0.249159  0.111088  0.582273  1
  Zr  Zr75  1  0.647762  0.414602  0.553979  1
  Zr  Zr76  1  0.876208  0.111119  0.582436  1
  Zr  Zr77  1  0.100858  0.189590  0.540766  1
  Zr  Zr78  1  0.764677  0.762577  0.569599  1
  Zr  Zr79  1  0.762666  0.263333  0.567869  1
  Zr  Zr80  1  0.607317  0.955316  0.596797  1
  Zr  Zr81  1  0.534351  0.560235  0.575221  1
  Zr  Zr82  1  0.582381  0.021894  0.498804  1
  Zr  Zr83  1  0.437906  0.862143  0.547578  1
  Zr  Zr84  1  0.326437  0.640159  0.568362  1
  Zr  Zr85  1  0.294936  0.574644  0.506068  1
  Zr  Zr86  1  0.425345  0.335768  0.595972  1
  Zr  Zr87  1  0.391052  0.269981  0.533626  1
  Zr  Zr88  1  0.416697  0.066366  0.540606  1
  Zr  Zr89  1  0.200384  0.888211  0.568414  1
  Zr  Zr90  1  0.552519  0.719003  0.526807  1
  Zr  Zr91  1  0.339985  0.806059  0.610546  1
  Zr  Zr92  1  0.179771  0.718545  0.527213  1
  Zr  Zr93  1  0.796543  0.582640  0.596568  1
  Zr  Zr94  1  0.067404  0.370015  0.513104  1
  Zr  Zr95  1  0.066101  0.870340  0.512740  1
  Zr  Zr96  1  0.914079  0.565859  0.541522  1
  Zr  Zr97  1  0.230234  0.955547  0.632215  1
  Zr  Zr98  1  0.672812  0.203689  0.663355  1
  Zr  Zr99  1  0.535716  0.044311  0.707908  1
  Zr  Zr100  1  0.025791  0.034365  0.623815  1
  Zr  Zr101  1  0.381533  0.759553  0.673820  1
  Zr  Zr102  1  0.121297  0.730588  0.655156  1
  Zr  Zr103  1  0.485733  0.451159  0.697895  1
  Zr  Zr104  1  0.552808  0.265214  0.708132  1
  Zr  Zr105  1  0.897528  0.283337  0.623425  1
  Zr  Zr106  1  0.652301  0.906074  0.692816  1
  Zr  Zr107  1  0.035404  0.199637  0.663567  1
  Zr  Zr108  1  0.261173  0.908470  0.693651  1
  Zr  Zr109  1  0.491045  0.976685  0.650957  1
  Zr  Zr110  1  0.152510  0.551270  0.684620  1
  Zr  Zr111  1  0.156574  0.065503  0.681659  1
  Zr  Zr112  1  0.997870  0.746865  0.708945  1
  Zr  Zr113  1  0.921368  0.352199  0.684584  1
  Zr  Zr114  1  0.978206  0.808682  0.610652  1
  Zr  Zr115  1  0.839021  0.658635  0.658130  1
  Zr  Zr116  1  0.728014  0.435606  0.674429  1
  Zr  Zr117  1  0.687608  0.360843  0.616185  1
  Zr  Zr118  1  0.813203  0.134829  0.702290  1
  Zr  Zr119  1  0.782700  0.056309  0.644706  1
  Zr  Zr120  1  0.817376  0.859595  0.652955  1
  Zr  Zr121  1  0.598212  0.678537  0.678438  1
  Zr  Zr122  1  0.950436  0.510918  0.638633  1
  Zr  Zr123  1  0.738815  0.595067  0.714053  1
  Zr  Zr124  1  0.571784  0.506852  0.637693  1
  Zr  Zr125  1  0.184686  0.362204  0.703013  1
  Zr  Zr126  1  0.459557  0.156003  0.625154  1
  Zr  Zr127  1  0.453428  0.655682  0.625432  1
  Zr  Zr128  1  0.307120  0.353790  0.651928  1
  Cu  Cu129  1  0.203688  0.740460  0.339014  1
  Cu  Cu130  1  0.110406  0.875985  0.358367  1
  Cu  Cu131  1  0.876498  0.571377  0.388501  1
  Cu  Cu132  1  0.724665  0.629276  0.346585  1
  Cu  Cu133  1  0.822822  0.499467  0.330823  1
  Cu  Cu134  1  0.638343  0.435946  0.365562  1
  Cu  Cu135  1  0.010425  0.337934  0.377458  1
  Cu  Cu136  1  0.784325  0.202220  0.358516  1
  Cu  Cu137  1  0.543765  0.310047  0.279373  1
  Cu  Cu138  1  0.403238  0.507198  0.302012  1
  Cu  Cu139  1  0.186901  0.179366  0.330553  1
  Cu  Cu140  1  0.072944  0.253259  0.297380  1
  Cu  Cu141  1  0.168186  0.134670  0.281341  1
  Cu  Cu142  1  0.947724  0.050593  0.308117  1
  Cu  Cu143  1  0.305962  0.938789  0.323045  1
  Cu  Cu144  1  0.081244  0.795569  0.303776  1
  Cu  Cu145  1  0.604716  0.527902  0.450089  1
  Cu  Cu146  1  0.508200  0.665477  0.470938  1
  Cu  Cu147  1  0.268345  0.360605  0.498352  1
  Cu  Cu148  1  0.137607  0.428438  0.463098  1
  Cu  Cu149  1  0.233927  0.291837  0.443231  1
  Cu  Cu150  1  0.035406  0.223520  0.478870  1
  Cu  Cu151  1  0.402279  0.125135  0.490528  1
  Cu  Cu152  1  0.170431  0.987840  0.470978  1
  Cu  Cu153  1  0.911767  0.133855  0.394574  1
  Cu  Cu154  1  0.811974  0.273684  0.414767  1
  Cu  Cu155  1  0.573160  0.968019  0.442813  1
  Cu  Cu156  1  0.441981  0.034372  0.406119  1
  Cu  Cu157  1  0.537806  0.900799  0.387572  1
  Cu  Cu158  1  0.338558  0.829629  0.423007  1
  Cu  Cu159  1  0.706154  0.730556  0.434275  1
  Cu  Cu160  1  0.475201  0.595250  0.413991  1
  Cu  Cu161  1  0.996830  0.312900  0.563518  1
  Cu  Cu162  1  0.903926  0.449165  0.583392  1
  Cu  Cu163  1  0.658820  0.143618  0.608996  1
  Cu  Cu164  1  0.528824  0.213265  0.574766  1
  Cu  Cu165  1  0.626864  0.074530  0.554915  1
  Cu  Cu166  1  0.426475  0.008719  0.591323  1
  Cu  Cu167  1  0.795942  0.911728  0.602701  1
  Cu  Cu168  1  0.562017  0.770873  0.582936  1
  Cu  Cu169  1  0.299631  0.919141  0.506642  1
  Cu  Cu170  1  0.204899  0.057044  0.526550  1
  Cu  Cu171  1  0.964277  0.752699  0.554671  1
  Cu  Cu172  1  0.832778  0.820613  0.519085  1
  Cu  Cu173  1  0.929176  0.682724  0.499330  1
  Cu  Cu174  1  0.730901  0.616175  0.534924  1
  Cu  Cu175  1  0.098927  0.517546  0.546853  1
  Cu  Cu176  1  0.866621  0.381268  0.526420  1
  Cu  Cu177  1  0.395690  0.110739  0.676067  1
  Cu  Cu178  1  0.321362  0.248704  0.694567  1
  Cu  Cu179  1  0.045088  0.932777  0.717817  1
  Cu  Cu180  1  0.916151  0.003066  0.688645  1
  Cu  Cu181  1  0.027219  0.872441  0.668084  1
  Cu  Cu182  1  0.821031  0.808030  0.703577  1
  Cu  Cu183  1  0.191393  0.715315  0.710750  1
  Cu  Cu184  1  0.945139  0.560224  0.694569  1
  Cu  Cu185  1  0.690984  0.708278  0.619769  1
  Cu  Cu186  1  0.598798  0.840237  0.639284  1
  Cu  Cu187  1  0.353458  0.541636  0.668928  1
  Cu  Cu188  1  0.220708  0.607191  0.633160  1
  Cu  Cu189  1  0.327324  0.469478  0.609779  1
  Cu  Cu190  1  0.123384  0.407762  0.648332  1
  Cu  Cu191  1  0.496183  0.305344  0.658269  1
  Cu  Cu192  1  0.259857  0.168119  0.638101  1
