# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.27166208
_cell_length_b   21.50148340
_cell_length_c   45.69363750
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.69282871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr144 Cu144'
_cell_volume   10928.4072723
_cell_formula_units_Z   144
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  1.000382  0.658014  0.322129  1
  Zr  Zr2  1  0.667049  0.491347  0.322129  1
  Zr  Zr3  1  0.758989  0.679458  0.287757  1
  Zr  Zr4  1  1.000382  0.158014  0.322129  1
  Zr  Zr5  1  0.092322  0.346125  0.287757  1
  Zr  Zr6  1  0.048430  0.500909  0.304266  1
  Zr  Zr7  1  0.333716  0.324681  0.322129  1
  Zr  Zr8  1  0.425655  0.512791  0.287757  1
  Zr  Zr9  1  0.381763  0.667575  0.304266  1
  Zr  Zr10  1  0.667049  0.991347  0.322129  1
  Zr  Zr11  1  0.758989  0.179458  0.287757  1
  Zr  Zr12  1  0.715096  0.334242  0.304266  1
  Zr  Zr13  1  0.092322  0.846125  0.287757  1
  Zr  Zr14  1  0.048430  1.000909  0.304266  1
  Zr  Zr15  1  0.333716  0.824681  0.322129  1
  Zr  Zr16  1  0.425655  0.012791  0.287757  1
  Zr  Zr17  1  0.381763  0.167575  0.304266  1
  Zr  Zr18  1  0.715096  0.834242  0.304266  1
  Zr  Zr19  1  0.854168  0.628076  0.377833  1
  Zr  Zr20  1  0.520834  0.461409  0.377833  1
  Zr  Zr21  1  0.617526  0.648306  0.341525  1
  Zr  Zr22  1  0.854168  0.128076  0.377833  1
  Zr  Zr23  1  0.950859  0.314972  0.341525  1
  Zr  Zr24  1  0.903293  0.471878  0.359682  1
  Zr  Zr25  1  0.187501  0.294743  0.377833  1
  Zr  Zr26  1  0.284193  0.481639  0.341525  1
  Zr  Zr27  1  0.236626  0.638545  0.359682  1
  Zr  Zr28  1  0.520834  0.961409  0.377833  1
  Zr  Zr29  1  0.617526  0.148306  0.341525  1
  Zr  Zr30  1  0.569960  0.305211  0.359682  1
  Zr  Zr31  1  0.950859  0.814972  0.341525  1
  Zr  Zr32  1  0.903293  0.971878  0.359682  1
  Zr  Zr33  1  0.187501  0.794743  0.377833  1
  Zr  Zr34  1  0.284193  0.981639  0.341525  1
  Zr  Zr35  1  0.236626  0.138545  0.359682  1
  Zr  Zr36  1  0.569960  0.805211  0.359682  1
  Zr  Zr37  1  0.706686  0.597879  0.434256  1
  Zr  Zr38  1  0.373353  0.431212  0.434256  1
  Zr  Zr39  1  0.471246  0.618174  0.397152  1
  Zr  Zr40  1  0.706686  0.097879  0.434256  1
  Zr  Zr41  1  0.804579  0.284841  0.397152  1
  Zr  Zr42  1  0.755663  0.441260  0.415618  1
  Zr  Zr43  1  0.040020  0.264546  0.434256  1
  Zr  Zr44  1  0.137913  0.451507  0.397152  1
  Zr  Zr45  1  0.088997  0.607927  0.415618  1
  Zr  Zr46  1  0.373353  0.931212  0.434256  1
  Zr  Zr47  1  0.471246  0.118174  0.397152  1
  Zr  Zr48  1  0.422330  0.274594  0.415618  1
  Zr  Zr49  1  0.804579  0.784841  0.397152  1
  Zr  Zr50  1  0.755663  0.941260  0.415618  1
  Zr  Zr51  1  0.040020  0.764546  0.434256  1
  Zr  Zr52  1  0.137913  0.951507  0.397152  1
  Zr  Zr53  1  0.088997  0.107927  0.415618  1
  Zr  Zr54  1  0.422330  0.774594  0.415618  1
  Zr  Zr55  1  0.559225  0.567775  0.489909  1
  Zr  Zr56  1  0.225892  0.401108  0.489909  1
  Zr  Zr57  1  0.324012  0.587952  0.452888  1
  Zr  Zr58  1  0.559225  0.067775  0.489909  1
  Zr  Zr59  1  0.657345  0.254618  0.452888  1
  Zr  Zr60  1  0.608324  0.411228  0.471353  1
  Zr  Zr61  1  0.892559  0.234442  0.489909  1
  Zr  Zr62  1  0.990679  0.421285  0.452888  1
  Zr  Zr63  1  0.941658  0.577894  0.471353  1
  Zr  Zr64  1  0.225892  0.901108  0.489909  1
  Zr  Zr65  1  0.324012  0.087952  0.452888  1
  Zr  Zr66  1  0.274991  0.244561  0.471353  1
  Zr  Zr67  1  0.657345  0.754618  0.452888  1
  Zr  Zr68  1  0.608324  0.911228  0.471353  1
  Zr  Zr69  1  0.892559  0.734442  0.489909  1
  Zr  Zr70  1  0.990679  0.921285  0.452888  1
  Zr  Zr71  1  0.941658  0.077894  0.471353  1
  Zr  Zr72  1  0.274991  0.744561  0.471353  1
  Zr  Zr73  1  0.411966  0.537548  0.545664  1
  Zr  Zr74  1  0.078633  0.370882  0.545664  1
  Zr  Zr75  1  0.176753  0.557725  0.508643  1
  Zr  Zr76  1  0.411966  0.037548  0.545664  1
  Zr  Zr77  1  0.510086  0.224392  0.508643  1
  Zr  Zr78  1  0.460987  0.380939  0.527199  1
  Zr  Zr79  1  0.745300  0.204215  0.545664  1
  Zr  Zr80  1  0.843419  0.391058  0.508643  1
  Zr  Zr81  1  0.794320  0.547606  0.527199  1
  Zr  Zr82  1  0.078633  0.870882  0.545664  1
  Zr  Zr83  1  0.176753  0.057725  0.508643  1
  Zr  Zr84  1  0.127654  0.214272  0.527199  1
  Zr  Zr85  1  0.510086  0.724392  0.508643  1
  Zr  Zr86  1  0.460987  0.880939  0.527199  1
  Zr  Zr87  1  0.745300  0.704215  0.545664  1
  Zr  Zr88  1  0.843419  0.891058  0.508643  1
  Zr  Zr89  1  0.794320  0.047606  0.527199  1
  Zr  Zr90  1  0.127654  0.714272  0.527199  1
  Zr  Zr91  1  0.264732  0.507326  0.601400  1
  Zr  Zr92  1  0.931399  0.340659  0.601400  1
  Zr  Zr93  1  0.029292  0.527621  0.564296  1
  Zr  Zr94  1  0.264732  0.007326  0.601400  1
  Zr  Zr95  1  0.362625  0.194288  0.564296  1
  Zr  Zr96  1  0.313648  0.350907  0.582934  1
  Zr  Zr97  1  0.598065  0.173993  0.601400  1
  Zr  Zr98  1  0.695958  0.360954  0.564296  1
  Zr  Zr99  1  0.646981  0.517573  0.582934  1
  Zr  Zr100  1  0.931399  0.840659  0.601400  1
  Zr  Zr101  1  0.029292  0.027621  0.564296  1
  Zr  Zr102  1  0.980315  0.184240  0.582934  1
  Zr  Zr103  1  0.362625  0.694288  0.564296  1
  Zr  Zr104  1  0.313648  0.850907  0.582934  1
  Zr  Zr105  1  0.598065  0.673993  0.601400  1
  Zr  Zr106  1  0.695958  0.860954  0.564296  1
  Zr  Zr107  1  0.646981  0.017573  0.582934  1
  Zr  Zr108  1  0.980315  0.684240  0.582934  1
  Zr  Zr109  1  0.118452  0.477194  0.657027  1
  Zr  Zr110  1  0.785119  0.310528  0.657027  1
  Zr  Zr111  1  0.881810  0.497424  0.620719  1
  Zr  Zr112  1  0.118452  0.977194  0.657027  1
  Zr  Zr113  1  0.215144  0.164091  0.620719  1
  Zr  Zr114  1  0.166018  0.320289  0.638870  1
  Zr  Zr115  1  0.451785  0.143861  0.657027  1
  Zr  Zr116  1  0.548477  0.330758  0.620719  1
  Zr  Zr117  1  0.499352  0.486955  0.638870  1
  Zr  Zr118  1  0.785119  0.810528  0.657027  1
  Zr  Zr119  1  0.881810  0.997424  0.620719  1
  Zr  Zr120  1  0.832685  0.153622  0.638870  1
  Zr  Zr121  1  0.215144  0.664091  0.620719  1
  Zr  Zr122  1  0.166018  0.820289  0.638870  1
  Zr  Zr123  1  0.451785  0.643861  0.657027  1
  Zr  Zr124  1  0.548477  0.830758  0.620719  1
  Zr  Zr125  1  0.499352  0.986955  0.638870  1
  Zr  Zr126  1  0.832685  0.653622  0.638870  1
  Zr  Zr127  1  0.976989  0.446042  0.710795  1
  Zr  Zr128  1  0.643656  0.279375  0.710795  1
  Zr  Zr129  1  0.735596  0.467486  0.676423  1
  Zr  Zr130  1  0.976989  0.946042  0.710795  1
  Zr  Zr131  1  0.068929  0.134153  0.676423  1
  Zr  Zr132  1  0.020882  0.291258  0.694286  1
  Zr  Zr133  1  0.310323  0.112709  0.710795  1
  Zr  Zr134  1  0.402262  0.300819  0.676423  1
  Zr  Zr135  1  0.354215  0.457925  0.694286  1
  Zr  Zr136  1  0.643656  0.779375  0.710795  1
  Zr  Zr137  1  0.735596  0.967486  0.676423  1
  Zr  Zr138  1  0.687548  0.124591  0.694286  1
  Zr  Zr139  1  0.068929  0.634153  0.676423  1
  Zr  Zr140  1  0.020882  0.791258  0.694286  1
  Zr  Zr141  1  0.310323  0.612709  0.710795  1
  Zr  Zr142  1  0.402262  0.800819  0.676423  1
  Zr  Zr143  1  0.354215  0.957925  0.694286  1
  Zr  Zr144  1  0.687548  0.624591  0.694286  1
  Cu  Cu145  1  0.930285  0.760782  0.287950  1
  Cu  Cu146  1  0.596952  0.594116  0.287950  1
  Cu  Cu147  1  0.547799  0.750725  0.305219  1
  Cu  Cu148  1  0.930285  0.260782  0.287950  1
  Cu  Cu149  1  0.881133  0.417392  0.305219  1
  Cu  Cu150  1  0.831014  0.573890  0.321695  1
  Cu  Cu151  1  0.263619  0.427449  0.287950  1
  Cu  Cu152  1  0.214466  0.584058  0.305219  1
  Cu  Cu153  1  0.164348  0.740557  0.321695  1
  Cu  Cu154  1  0.596952  0.094116  0.287950  1
  Cu  Cu155  1  0.547799  0.250725  0.305219  1
  Cu  Cu156  1  0.497681  0.407223  0.321695  1
  Cu  Cu157  1  0.881133  0.917392  0.305219  1
  Cu  Cu158  1  0.831014  0.073890  0.321695  1
  Cu  Cu159  1  0.263619  0.927449  0.287950  1
  Cu  Cu160  1  0.214466  0.084058  0.305219  1
  Cu  Cu161  1  0.164348  0.240557  0.321695  1
  Cu  Cu162  1  0.497681  0.907223  0.321695  1
  Cu  Cu163  1  0.785602  0.731938  0.341264  1
  Cu  Cu164  1  0.452269  0.565272  0.341264  1
  Cu  Cu165  1  0.403298  0.722254  0.359555  1
  Cu  Cu166  1  0.785602  0.231938  0.341264  1
  Cu  Cu167  1  0.736632  0.388920  0.359555  1
  Cu  Cu168  1  0.687727  0.544686  0.378461  1
  Cu  Cu169  1  0.118936  0.398605  0.341264  1
  Cu  Cu170  1  0.069965  0.555587  0.359555  1
  Cu  Cu171  1  0.021060  0.711352  0.378461  1
  Cu  Cu172  1  0.452269  0.065272  0.341264  1
  Cu  Cu173  1  0.403298  0.222254  0.359555  1
  Cu  Cu174  1  0.354394  0.378019  0.378461  1
  Cu  Cu175  1  0.736632  0.888920  0.359555  1
  Cu  Cu176  1  0.687727  0.044686  0.378461  1
  Cu  Cu177  1  0.118936  0.898605  0.341264  1
  Cu  Cu178  1  0.069965  0.055587  0.359555  1
  Cu  Cu179  1  0.021060  0.211352  0.378461  1
  Cu  Cu180  1  0.354394  0.878019  0.378461  1
  Cu  Cu181  1  0.638494  0.701391  0.397344  1
  Cu  Cu182  1  0.305160  0.534725  0.397344  1
  Cu  Cu183  1  0.255396  0.691440  0.415604  1
  Cu  Cu184  1  0.638494  0.201391  0.397344  1
  Cu  Cu185  1  0.588730  0.358106  0.415604  1
  Cu  Cu186  1  0.539709  0.514516  0.434036  1
  Cu  Cu187  1  0.971827  0.368058  0.397344  1
  Cu  Cu188  1  0.922063  0.524773  0.415604  1
  Cu  Cu189  1  0.873042  0.681183  0.434036  1
  Cu  Cu190  1  0.305160  0.034725  0.397344  1
  Cu  Cu191  1  0.255396  0.191440  0.415604  1
  Cu  Cu192  1  0.206376  0.347850  0.434036  1
  Cu  Cu193  1  0.588730  0.858106  0.415604  1
  Cu  Cu194  1  0.539709  0.014516  0.434036  1
  Cu  Cu195  1  0.971827  0.868058  0.397344  1
  Cu  Cu196  1  0.922063  0.024773  0.415604  1
  Cu  Cu197  1  0.873042  0.181183  0.434036  1
  Cu  Cu198  1  0.206376  0.847850  0.434036  1
  Cu  Cu199  1  0.490813  0.671253  0.452829  1
  Cu  Cu200  1  0.157480  0.504586  0.452829  1
  Cu  Cu201  1  0.108365  0.661135  0.471440  1
  Cu  Cu202  1  0.490813  0.171253  0.452829  1
  Cu  Cu203  1  0.441698  0.327802  0.471440  1
  Cu  Cu204  1  0.392534  0.484393  0.490019  1
  Cu  Cu205  1  0.824147  0.337919  0.452829  1
  Cu  Cu206  1  0.775032  0.494468  0.471440  1
  Cu  Cu207  1  0.725867  0.651060  0.490019  1
  Cu  Cu208  1  0.157480  0.004586  0.452829  1
  Cu  Cu209  1  0.108365  0.161135  0.471440  1
  Cu  Cu210  1  0.059200  0.317726  0.490019  1
  Cu  Cu211  1  0.441698  0.827802  0.471440  1
  Cu  Cu212  1  0.392534  0.984393  0.490019  1
  Cu  Cu213  1  0.824147  0.837919  0.452829  1
  Cu  Cu214  1  0.775032  0.994468  0.471440  1
  Cu  Cu215  1  0.725867  0.151060  0.490019  1
  Cu  Cu216  1  0.059200  0.817726  0.490019  1
  Cu  Cu217  1  0.343444  0.641107  0.508533  1
  Cu  Cu218  1  0.010111  0.474440  0.508533  1
  Cu  Cu219  1  0.960946  0.631032  0.527112  1
  Cu  Cu220  1  0.343444  0.141107  0.508533  1
  Cu  Cu221  1  0.294280  0.297699  0.527112  1
  Cu  Cu222  1  0.245165  0.454247  0.545723  1
  Cu  Cu223  1  0.676778  0.307774  0.508533  1
  Cu  Cu224  1  0.627613  0.464365  0.527112  1
  Cu  Cu225  1  0.578498  0.620914  0.545723  1
  Cu  Cu226  1  0.010111  0.974440  0.508533  1
  Cu  Cu227  1  0.960946  0.131032  0.527112  1
  Cu  Cu228  1  0.911831  0.287581  0.545723  1
  Cu  Cu229  1  0.294280  0.797699  0.527112  1
  Cu  Cu230  1  0.245165  0.954247  0.545723  1
  Cu  Cu231  1  0.676778  0.807774  0.508533  1
  Cu  Cu232  1  0.627613  0.964365  0.527112  1
  Cu  Cu233  1  0.578498  0.120914  0.545723  1
  Cu  Cu234  1  0.911831  0.787581  0.545723  1
  Cu  Cu235  1  0.196269  0.610984  0.564516  1
  Cu  Cu236  1  0.862936  0.444317  0.564516  1
  Cu  Cu237  1  0.813915  0.600727  0.582948  1
  Cu  Cu238  1  0.196269  0.110984  0.564516  1
  Cu  Cu239  1  0.147248  0.267394  0.582948  1
  Cu  Cu240  1  0.097484  0.424109  0.601208  1
  Cu  Cu241  1  0.529602  0.277650  0.564516  1
  Cu  Cu242  1  0.480582  0.434060  0.582948  1
  Cu  Cu243  1  0.430818  0.590776  0.601208  1
  Cu  Cu244  1  0.862936  0.944317  0.564516  1
  Cu  Cu245  1  0.813915  0.100727  0.582948  1
  Cu  Cu246  1  0.764151  0.257442  0.601208  1
  Cu  Cu247  1  0.147248  0.767394  0.582948  1
  Cu  Cu248  1  0.097484  0.924109  0.601208  1
  Cu  Cu249  1  0.529602  0.777650  0.564516  1
  Cu  Cu250  1  0.480582  0.934060  0.582948  1
  Cu  Cu251  1  0.430818  0.090776  0.601208  1
  Cu  Cu252  1  0.764151  0.757442  0.601208  1
  Cu  Cu253  1  0.048251  0.580814  0.620091  1
  Cu  Cu254  1  0.714918  0.414148  0.620091  1
  Cu  Cu255  1  0.666013  0.569913  0.638997  1
  Cu  Cu256  1  0.048251  0.080814  0.620091  1
  Cu  Cu257  1  0.999346  0.236580  0.638997  1
  Cu  Cu258  1  0.950376  0.393562  0.657288  1
  Cu  Cu259  1  0.381584  0.247481  0.620091  1
  Cu  Cu260  1  0.332680  0.403247  0.638997  1
  Cu  Cu261  1  0.283709  0.560228  0.657288  1
  Cu  Cu262  1  0.714918  0.914148  0.620091  1
  Cu  Cu263  1  0.666013  0.069913  0.638997  1
  Cu  Cu264  1  0.617042  0.226895  0.657288  1
  Cu  Cu265  1  0.999346  0.736580  0.638997  1
  Cu  Cu266  1  0.950376  0.893562  0.657288  1
  Cu  Cu267  1  0.381584  0.747481  0.620091  1
  Cu  Cu268  1  0.332680  0.903247  0.638997  1
  Cu  Cu269  1  0.283709  0.060228  0.657288  1
  Cu  Cu270  1  0.617042  0.726895  0.657288  1
  Cu  Cu271  1  0.904964  0.551610  0.676857  1
  Cu  Cu272  1  0.571630  0.384943  0.676857  1
  Cu  Cu273  1  0.521512  0.541442  0.693333  1
  Cu  Cu274  1  0.904964  0.051610  0.676857  1
  Cu  Cu275  1  0.854845  0.208108  0.693333  1
  Cu  Cu276  1  0.805693  0.364718  0.710602  1
  Cu  Cu277  1  0.238297  0.218277  0.676857  1
  Cu  Cu278  1  0.188179  0.374775  0.693333  1
  Cu  Cu279  1  0.139026  0.531384  0.710602  1
  Cu  Cu280  1  0.571630  0.884943  0.676857  1
  Cu  Cu281  1  0.521512  0.041442  0.693333  1
  Cu  Cu282  1  0.472359  0.198051  0.710602  1
  Cu  Cu283  1  0.854845  0.708108  0.693333  1
  Cu  Cu284  1  0.805693  0.864718  0.710602  1
  Cu  Cu285  1  0.238297  0.718277  0.676857  1
  Cu  Cu286  1  0.188179  0.874775  0.693333  1
  Cu  Cu287  1  0.139026  0.031384  0.710602  1
  Cu  Cu288  1  0.472359  0.698051  0.710602  1
