# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99878129
_cell_length_b   12.61559106
_cell_length_c   46.35875271
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.99415973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr80 Cu40'
_cell_volume   4913.12466357
_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  0.304148  0.863450  0.305752  1
  Zr  Zr2  1  0.807388  0.856779  0.304073  1
  Zr  Zr3  1  0.146591  0.685094  0.288828  1
  Zr  Zr4  1  0.640501  0.684992  0.288836  1
  Zr  Zr5  1  0.054258  0.363056  0.306241  1
  Zr  Zr6  1  0.557288  0.356909  0.304786  1
  Zr  Zr7  1  0.392734  0.178389  0.289522  1
  Zr  Zr8  1  0.900823  0.178402  0.289518  1
  Zr  Zr9  1  0.093211  0.785722  0.352234  1
  Zr  Zr10  1  0.592564  0.785721  0.352231  1
  Zr  Zr11  1  0.931531  0.608497  0.334909  1
  Zr  Zr12  1  0.431090  0.609404  0.334875  1
  Zr  Zr13  1  0.843762  0.286819  0.351422  1
  Zr  Zr14  1  0.340886  0.286867  0.351425  1
  Zr  Zr15  1  0.182574  0.106469  0.333575  1
  Zr  Zr16  1  0.679464  0.112744  0.335232  1
  Zr  Zr17  1  0.880308  0.710555  0.397672  1
  Zr  Zr18  1  0.381366  0.708351  0.398226  1
  Zr  Zr19  1  0.718655  0.533404  0.377264  1
  Zr  Zr20  1  0.219390  0.533352  0.377259  1
  Zr  Zr21  1  0.630210  0.210734  0.398465  1
  Zr  Zr22  1  0.131908  0.207317  0.397959  1
  Zr  Zr23  1  0.968893  0.033939  0.377931  1
  Zr  Zr24  1  0.468575  0.033975  0.377942  1
  Zr  Zr25  1  0.667502  0.634760  0.443207  1
  Zr  Zr26  1  0.168370  0.634729  0.443189  1
  Zr  Zr27  1  0.506242  0.458439  0.424254  1
  Zr  Zr28  1  0.004869  0.461201  0.424707  1
  Zr  Zr29  1  0.418305  0.135149  0.443063  1
  Zr  Zr30  1  0.917147  0.135204  0.443054  1
  Zr  Zr31  1  0.755376  0.960171  0.423709  1
  Zr  Zr32  1  0.255522  0.959859  0.424728  1
  Zr  Zr33  1  0.455268  0.559562  0.488635  1
  Zr  Zr34  1  0.954084  0.561921  0.488925  1
  Zr  Zr35  1  0.291970  0.385299  0.470068  1
  Zr  Zr36  1  0.793095  0.385294  0.470057  1
  Zr  Zr37  1  0.204534  0.061031  0.488839  1
  Zr  Zr38  1  0.704968  0.060102  0.489222  1
  Zr  Zr39  1  0.543263  0.885029  0.470326  1
  Zr  Zr40  1  0.042003  0.885121  0.470324  1
  Zr  Zr41  1  0.240962  0.486614  0.534696  1
  Zr  Zr42  1  0.742008  0.486526  0.534700  1
  Zr  Zr43  1  0.079240  0.311341  0.516084  1
  Zr  Zr44  1  0.579794  0.310185  0.516405  1
  Zr  Zr45  1  0.990869  0.986746  0.534379  1
  Zr  Zr46  1  0.491949  0.986726  0.534372  1
  Zr  Zr47  1  0.328846  0.812125  0.516038  1
  Zr  Zr48  1  0.830026  0.809767  0.515867  1
  Zr  Zr49  1  0.028522  0.411917  0.581250  1
  Zr  Zr50  1  0.528407  0.412190  0.580144  1
  Zr  Zr51  1  0.866454  0.237468  0.561554  1
  Zr  Zr52  1  0.365328  0.237528  0.561549  1
  Zr  Zr53  1  0.779409  0.910141  0.580767  1
  Zr  Zr54  1  0.278132  0.912698  0.581082  1
  Zr  Zr55  1  0.116462  0.736940  0.561653  1
  Zr  Zr56  1  0.615864  0.736960  0.561672  1
  Zr  Zr57  1  0.814548  0.338933  0.626993  1
  Zr  Zr58  1  0.314978  0.338908  0.626982  1
  Zr  Zr59  1  0.652908  0.162919  0.607339  1
  Zr  Zr60  1  0.154440  0.159829  0.606716  1
  Zr  Zr61  1  0.565261  0.837631  0.626363  1
  Zr  Zr62  1  0.065621  0.837580  0.626361  1
  Zr  Zr63  1  0.904031  0.660677  0.607294  1
  Zr  Zr64  1  0.403016  0.662777  0.606523  1
  Zr  Zr65  1  0.601540  0.265092  0.671370  1
  Zr  Zr66  1  0.104657  0.258797  0.669650  1
  Zr  Zr67  1  0.441593  0.088491  0.652235  1
  Zr  Zr68  1  0.938264  0.088502  0.652240  1
  Zr  Zr69  1  0.353372  0.761352  0.671133  1
  Zr  Zr70  1  0.853066  0.762001  0.671542  1
  Zr  Zr71  1  0.690070  0.587507  0.653265  1
  Zr  Zr72  1  0.190769  0.587486  0.653267  1
  Zr  Zr73  1  0.391339  0.190403  0.714912  1
  Zr  Zr74  1  0.886071  0.190431  0.714913  1
  Zr  Zr75  1  0.228379  0.011395  0.700584  1
  Zr  Zr76  1  0.730873  0.006377  0.699525  1
  Zr  Zr77  1  0.139456  0.697147  0.714597  1
  Zr  Zr78  1  0.631345  0.697126  0.714601  1
  Zr  Zr79  1  0.481139  0.505784  0.698908  1
  Zr  Zr80  1  0.977531  0.513160  0.700782  1
  Cu  Cu81  1  0.984277  0.980424  0.318142  1
  Cu  Cu82  1  0.703709  0.065123  0.280758  1
  Cu  Cu83  1  0.455146  0.562292  0.280254  1
  Cu  Cu84  1  0.953325  0.566290  0.280183  1
  Cu  Cu85  1  0.781137  0.909191  0.363534  1
  Cu  Cu86  1  0.506883  0.980505  0.318203  1
  Cu  Cu87  1  0.245841  0.484512  0.314665  1
  Cu  Cu88  1  0.741127  0.484414  0.314688  1
  Cu  Cu89  1  0.566614  0.835480  0.411460  1
  Cu  Cu90  1  0.282129  0.907301  0.366029  1
  Cu  Cu91  1  0.032628  0.406147  0.366824  1
  Cu  Cu92  1  0.532740  0.406140  0.365062  1
  Cu  Cu93  1  0.355070  0.760187  0.457074  1
  Cu  Cu94  1  0.068963  0.835495  0.411472  1
  Cu  Cu95  1  0.820644  0.336287  0.410550  1
  Cu  Cu96  1  0.314190  0.336216  0.410570  1
  Cu  Cu97  1  0.144456  0.685672  0.502534  1
  Cu  Cu98  1  0.854896  0.760822  0.456263  1
  Cu  Cu99  1  0.605498  0.259437  0.457865  1
  Cu  Cu100  1  0.105350  0.259857  0.456858  1
  Cu  Cu101  1  0.929130  0.611014  0.548354  1
  Cu  Cu102  1  0.639877  0.685585  0.502582  1
  Cu  Cu103  1  0.391518  0.186626  0.502057  1
  Cu  Cu104  1  0.891787  0.186632  0.502053  1
  Cu  Cu105  1  0.714970  0.536692  0.593898  1
  Cu  Cu106  1  0.428809  0.611920  0.547345  1
  Cu  Cu107  1  0.179363  0.110783  0.547915  1
  Cu  Cu108  1  0.679562  0.110207  0.549083  1
  Cu  Cu109  1  0.501407  0.465522  0.638814  1
  Cu  Cu110  1  0.217186  0.536706  0.593904  1
  Cu  Cu111  1  0.962980  0.037024  0.592912  1
  Cu  Cu112  1  0.468757  0.037091  0.592896  1
  Cu  Cu113  1  0.277332  0.390087  0.686723  1
  Cu  Cu114  1  1.002432  0.463493  0.641532  1
  Cu  Cu115  1  0.753385  0.961674  0.640252  1
  Cu  Cu116  1  0.252864  0.962589  0.641510  1
  Cu  Cu117  1  0.080587  0.306068  0.724174  1
  Cu  Cu118  1  0.800642  0.390220  0.686781  1
  Cu  Cu119  1  0.534365  0.894879  0.683574  1
  Cu  Cu120  1  0.038804  0.894902  0.683570  1
