# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.78755328
_cell_length_b   11.58274174
_cell_length_c   48.69462177
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr96 Cu48'
_cell_volume   6084.36589738
_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  0.658539  0.263138  0.323199  1
  Zr  Zr2  1  0.656674  0.024271  0.287255  1
  Zr  Zr3  1  0.653535  0.644418  0.305568  1
  Zr  Zr4  1  0.857799  0.455140  0.311560  1
  Zr  Zr5  1  0.863233  0.211585  0.279773  1
  Zr  Zr6  1  0.854545  0.832884  0.295570  1
  Zr  Zr7  1  0.156850  0.455140  0.311560  1
  Zr  Zr8  1  0.151416  0.211585  0.279773  1
  Zr  Zr9  1  0.160103  0.832884  0.295570  1
  Zr  Zr10  1  0.356110  0.263138  0.323199  1
  Zr  Zr11  1  0.357974  0.024271  0.287255  1
  Zr  Zr12  1  0.361114  0.644418  0.305568  1
  Zr  Zr13  1  0.653502  0.104454  0.378956  1
  Zr  Zr14  1  0.653517  0.878155  0.342530  1
  Zr  Zr15  1  0.650346  0.491774  0.359693  1
  Zr  Zr16  1  0.857786  0.301297  0.369408  1
  Zr  Zr17  1  0.863548  0.067819  0.333423  1
  Zr  Zr18  1  0.859949  0.681782  0.351578  1
  Zr  Zr19  1  0.156862  0.301297  0.369408  1
  Zr  Zr20  1  0.151100  0.067819  0.333423  1
  Zr  Zr21  1  0.154700  0.681782  0.351578  1
  Zr  Zr22  1  0.361146  0.104454  0.378956  1
  Zr  Zr23  1  0.361131  0.878155  0.342530  1
  Zr  Zr24  1  0.364302  0.491774  0.359693  1
  Zr  Zr25  1  0.654616  0.950196  0.435005  1
  Zr  Zr26  1  0.656970  0.720073  0.397489  1
  Zr  Zr27  1  0.653120  0.336552  0.415663  1
  Zr  Zr28  1  0.857537  0.142965  0.425628  1
  Zr  Zr29  1  0.862802  0.914139  0.387832  1
  Zr  Zr30  1  0.862594  0.526613  0.406072  1
  Zr  Zr31  1  0.157111  0.142965  0.425628  1
  Zr  Zr32  1  0.151847  0.914139  0.387832  1
  Zr  Zr33  1  0.152055  0.526613  0.406072  1
  Zr  Zr34  1  0.360033  0.950196  0.435005  1
  Zr  Zr35  1  0.357678  0.720073  0.397489  1
  Zr  Zr36  1  0.361528  0.336552  0.415663  1
  Zr  Zr37  1  0.653137  0.795654  0.490138  1
  Zr  Zr38  1  0.656335  0.566415  0.453134  1
  Zr  Zr39  1  0.653734  0.182181  0.471890  1
  Zr  Zr40  1  0.859974  0.989010  0.481209  1
  Zr  Zr41  1  0.860621  0.759179  0.444227  1
  Zr  Zr42  1  0.860215  0.373786  0.462069  1
  Zr  Zr43  1  0.154675  0.989010  0.481209  1
  Zr  Zr44  1  0.154027  0.759179  0.444227  1
  Zr  Zr45  1  0.154433  0.373786  0.462069  1
  Zr  Zr46  1  0.361512  0.795654  0.490138  1
  Zr  Zr47  1  0.358313  0.566415  0.453134  1
  Zr  Zr48  1  0.360914  0.182181  0.471890  1
  Zr  Zr49  1  0.654027  0.640173  0.545721  1
  Zr  Zr50  1  0.654675  0.410343  0.508738  1
  Zr  Zr51  1  0.654433  0.025566  0.527879  1
  Zr  Zr52  1  0.858313  0.832937  0.536814  1
  Zr  Zr53  1  0.861512  0.603699  0.499810  1
  Zr  Zr54  1  0.860914  0.217171  0.518058  1
  Zr  Zr55  1  0.156335  0.832937  0.536814  1
  Zr  Zr56  1  0.153137  0.603699  0.499810  1
  Zr  Zr57  1  0.153734  0.217171  0.518058  1
  Zr  Zr58  1  0.360621  0.640173  0.545721  1
  Zr  Zr59  1  0.359974  0.410343  0.508738  1
  Zr  Zr60  1  0.360215  0.025566  0.527879  1
  Zr  Zr61  1  0.651847  0.485213  0.602116  1
  Zr  Zr62  1  0.657111  0.256387  0.564319  1
  Zr  Zr63  1  0.652055  0.872739  0.583876  1
  Zr  Zr64  1  0.857678  0.679280  0.592459  1
  Zr  Zr65  1  0.860033  0.449156  0.554942  1
  Zr  Zr66  1  0.861528  0.062800  0.574284  1
  Zr  Zr67  1  0.156970  0.679280  0.592459  1
  Zr  Zr68  1  0.154616  0.449156  0.554942  1
  Zr  Zr69  1  0.153120  0.062800  0.574284  1
  Zr  Zr70  1  0.362802  0.485213  0.602116  1
  Zr  Zr71  1  0.357537  0.256387  0.564319  1
  Zr  Zr72  1  0.362594  0.872739  0.583876  1
  Zr  Zr73  1  0.651100  0.331534  0.656525  1
  Zr  Zr74  1  0.656862  0.098056  0.620540  1
  Zr  Zr75  1  0.654700  0.717570  0.638370  1
  Zr  Zr76  1  0.861131  0.521197  0.647417  1
  Zr  Zr77  1  0.861146  0.294898  0.610992  1
  Zr  Zr78  1  0.864302  0.907579  0.630255  1
  Zr  Zr79  1  0.153517  0.521197  0.647417  1
  Zr  Zr80  1  0.153502  0.294898  0.610992  1
  Zr  Zr81  1  0.150346  0.907579  0.630255  1
  Zr  Zr82  1  0.363548  0.331534  0.656525  1
  Zr  Zr83  1  0.357786  0.098056  0.620540  1
  Zr  Zr84  1  0.359949  0.717570  0.638370  1
  Zr  Zr85  1  0.651416  0.187767  0.710174  1
  Zr  Zr86  1  0.656850  0.944213  0.678388  1
  Zr  Zr87  1  0.660103  0.566468  0.694377  1
  Zr  Zr88  1  0.857974  0.375081  0.702693  1
  Zr  Zr89  1  0.856110  0.136214  0.666749  1
  Zr  Zr90  1  0.861114  0.754934  0.684380  1
  Zr  Zr91  1  0.156674  0.375081  0.702693  1
  Zr  Zr92  1  0.158539  0.136214  0.666749  1
  Zr  Zr93  1  0.153535  0.754934  0.684380  1
  Zr  Zr94  1  0.363233  0.187767  0.710174  1
  Zr  Zr95  1  0.357799  0.944213  0.678388  1
  Zr  Zr96  1  0.354545  0.566468  0.694377  1
  Cu  Cu97  1  0.507324  0.445429  0.311113  1
  Cu  Cu98  1  0.507324  0.212357  0.282443  1
  Cu  Cu99  1  0.507324  0.835908  0.297591  1
  Cu  Cu100  1  0.007324  0.268022  0.324781  1
  Cu  Cu101  1  0.007324  0.017486  0.288179  1
  Cu  Cu102  1  0.007324  0.648909  0.307207  1
  Cu  Cu103  1  0.507324  0.296144  0.368492  1
  Cu  Cu104  1  0.507324  0.075190  0.331261  1
  Cu  Cu105  1  0.507324  0.688813  0.351311  1
  Cu  Cu106  1  0.007324  0.113528  0.380396  1
  Cu  Cu107  1  0.007324  0.870216  0.339423  1
  Cu  Cu108  1  0.007324  0.488478  0.357109  1
  Cu  Cu109  1  0.507324  0.142075  0.425559  1
  Cu  Cu110  1  0.507324  0.909890  0.389391  1
  Cu  Cu111  1  0.507324  0.531346  0.407378  1
  Cu  Cu112  1  0.007324  0.952491  0.434787  1
  Cu  Cu113  1  0.007324  0.721638  0.398323  1
  Cu  Cu114  1  0.007324  0.330086  0.415715  1
  Cu  Cu115  1  0.507324  0.990466  0.481578  1
  Cu  Cu116  1  0.507324  0.756393  0.442948  1
  Cu  Cu117  1  0.507324  0.376550  0.462238  1
  Cu  Cu118  1  0.007324  0.797999  0.490916  1
  Cu  Cu119  1  0.007324  0.566615  0.452949  1
  Cu  Cu120  1  0.007324  0.181803  0.471314  1
  Cu  Cu121  1  0.507324  0.832737  0.536999  1
  Cu  Cu122  1  0.507324  0.601353  0.499032  1
  Cu  Cu123  1  0.507324  0.217549  0.518634  1
  Cu  Cu124  1  0.007324  0.642959  0.547000  1
  Cu  Cu125  1  0.007324  0.408886  0.508370  1
  Cu  Cu126  1  0.007324  0.022802  0.527710  1
  Cu  Cu127  1  0.507324  0.677714  0.591624  1
  Cu  Cu128  1  0.507324  0.446862  0.555161  1
  Cu  Cu129  1  0.507324  0.069266  0.574232  1
  Cu  Cu130  1  0.007324  0.489462  0.600557  1
  Cu  Cu131  1  0.007324  0.257277  0.564389  1
  Cu  Cu132  1  0.007324  0.868007  0.582570  1
  Cu  Cu133  1  0.507324  0.529136  0.650525  1
  Cu  Cu134  1  0.507324  0.285824  0.609551  1
  Cu  Cu135  1  0.507324  0.910874  0.632839  1
  Cu  Cu136  1  0.007324  0.324162  0.658687  1
  Cu  Cu137  1  0.007324  0.103209  0.621455  1
  Cu  Cu138  1  0.007324  0.710539  0.638637  1
  Cu  Cu139  1  0.507324  0.381866  0.701769  1
  Cu  Cu140  1  0.507324  0.131331  0.665167  1
  Cu  Cu141  1  0.507324  0.750443  0.682741  1
  Cu  Cu142  1  0.007324  0.186995  0.707505  1
  Cu  Cu143  1  0.007324  0.953923  0.678834  1
  Cu  Cu144  1  0.007324  0.563444  0.692356  1
