# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19785500
_cell_length_b   32.67364329
_cell_length_c   48.51690682
_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   'Zr84 Cu42'
_cell_volume   5069.31683662
_cell_formula_units_Z   42
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  0.503248  0.078830  0.302940  1
  Zr  Zr2  1  0.503248  0.409900  0.324056  1
  Zr  Zr3  1  0.503248  0.750881  0.281501  1
  Zr  Zr4  1  1.003248  0.016605  0.267203  1
  Zr  Zr5  1  1.003248  0.345286  0.287757  1
  Zr  Zr6  1  1.003248  0.677436  0.308722  1
  Zr  Zr7  1  1.003248  0.250881  0.281501  1
  Zr  Zr8  1  1.003248  0.578830  0.302940  1
  Zr  Zr9  1  1.003248  0.909900  0.324056  1
  Zr  Zr10  1  0.503248  0.177436  0.308722  1
  Zr  Zr11  1  0.503248  0.516605  0.267203  1
  Zr  Zr12  1  0.503248  0.845286  0.287757  1
  Zr  Zr13  1  0.503248  0.070148  0.369441  1
  Zr  Zr14  1  0.503248  0.400541  0.391887  1
  Zr  Zr15  1  0.503248  0.738974  0.346988  1
  Zr  Zr16  1  1.003248  0.006150  0.330769  1
  Zr  Zr17  1  1.003248  0.338105  0.353426  1
  Zr  Zr18  1  1.003248  0.665690  0.375932  1
  Zr  Zr19  1  1.003248  0.238974  0.346988  1
  Zr  Zr20  1  1.003248  0.570148  0.369441  1
  Zr  Zr21  1  1.003248  0.900541  0.391887  1
  Zr  Zr22  1  0.503248  0.165690  0.375932  1
  Zr  Zr23  1  0.503248  0.506150  0.330769  1
  Zr  Zr24  1  0.503248  0.838105  0.353426  1
  Zr  Zr25  1  0.503248  0.058997  0.436023  1
  Zr  Zr26  1  0.503248  0.389305  0.458656  1
  Zr  Zr27  1  0.503248  0.730306  0.413201  1
  Zr  Zr28  1  1.003248  0.996254  0.397891  1
  Zr  Zr29  1  0.003248  0.326855  0.419951  1
  Zr  Zr30  1  1.003248  0.658066  0.442743  1
  Zr  Zr31  1  1.003248  0.230306  0.413201  1
  Zr  Zr32  1  1.003248  0.558997  0.436023  1
  Zr  Zr33  1  0.003248  0.889305  0.458656  1
  Zr  Zr34  1  0.503248  0.158066  0.442743  1
  Zr  Zr35  1  0.503248  0.496254  0.397891  1
  Zr  Zr36  1  0.503248  0.826855  0.419951  1
  Zr  Zr37  1  0.503248  0.050901  0.502916  1
  Zr  Zr38  1  0.503248  0.379970  0.524940  1
  Zr  Zr39  1  0.503248  0.720492  0.481097  1
  Zr  Zr40  1  1.003248  0.987093  0.465419  1
  Zr  Zr41  1  1.003248  0.316161  0.487443  1
  Zr  Zr42  1  1.003248  0.646570  0.509263  1
  Zr  Zr43  1  1.003248  0.220492  0.481097  1
  Zr  Zr44  1  1.003248  0.550901  0.502916  1
  Zr  Zr45  1  1.003248  0.879970  0.524940  1
  Zr  Zr46  1  0.503248  0.146570  0.509263  1
  Zr  Zr47  1  0.503248  0.487093  0.465419  1
  Zr  Zr48  1  0.503248  0.816161  0.487443  1
  Zr  Zr49  1  0.503248  0.040208  0.570409  1
  Zr  Zr50  1  0.503248  0.370808  0.592469  1
  Zr  Zr51  1  0.503248  0.708996  0.547617  1
  Zr  Zr52  1  1.003248  0.977757  0.531704  1
  Zr  Zr53  1  1.003248  0.308065  0.554337  1
  Zr  Zr54  1  1.003248  0.636756  0.577159  1
  Zr  Zr55  1  1.003248  0.208996  0.547617  1
  Zr  Zr56  1  1.003248  0.540208  0.570409  1
  Zr  Zr57  1  1.003248  0.870808  0.592469  1
  Zr  Zr58  1  0.503248  0.136756  0.577159  1
  Zr  Zr59  1  0.503248  0.477757  0.531704  1
  Zr  Zr60  1  0.503248  0.808065  0.554337  1
  Zr  Zr61  1  0.503248  0.028958  0.636934  1
  Zr  Zr62  1  0.503248  0.360913  0.659591  1
  Zr  Zr63  1  0.503248  0.701372  0.614428  1
  Zr  Zr64  1  1.003248  0.966522  0.598473  1
  Zr  Zr65  1  1.003248  0.296914  0.620919  1
  Zr  Zr66  1  1.003248  0.628088  0.643372  1
  Zr  Zr67  1  1.003248  0.201372  0.614428  1
  Zr  Zr68  1  1.003248  0.528958  0.636934  1
  Zr  Zr69  1  1.003248  0.860913  0.659591  1
  Zr  Zr70  1  0.503248  0.128088  0.643372  1
  Zr  Zr71  1  0.503248  0.466522  0.598473  1
  Zr  Zr72  1  0.503248  0.796914  0.620919  1
  Zr  Zr73  1  0.503248  0.021776  0.702603  1
  Zr  Zr74  1  0.503248  0.350457  0.723157  1
  Zr  Zr75  1  0.503248  0.689626  0.681638  1
  Zr  Zr76  1  1.003248  0.957162  0.666304  1
  Zr  Zr77  1  1.003248  0.288232  0.687420  1
  Zr  Zr78  1  1.003248  0.616181  0.708859  1
  Zr  Zr79  1  1.003248  0.189626  0.681638  1
  Zr  Zr80  1  1.003248  0.521776  0.702603  1
  Zr  Zr81  1  1.003248  0.850457  0.723157  1
  Zr  Zr82  1  0.503248  0.116181  0.708859  1
  Zr  Zr83  1  0.503248  0.457162  0.666304  1
  Zr  Zr84  1  0.503248  0.788232  0.687420  1
  Cu  Cu85  1  1.003248  0.131622  0.276792  1
  Cu  Cu86  1  1.003248  0.461542  0.294085  1
  Cu  Cu87  1  1.003248  0.793047  0.318722  1
  Cu  Cu88  1  0.503248  0.961542  0.294085  1
  Cu  Cu89  1  0.503248  0.293047  0.318722  1
  Cu  Cu90  1  0.503248  0.631622  0.276792  1
  Cu  Cu91  1  1.003248  0.123758  0.337501  1
  Cu  Cu92  1  1.003248  0.452980  0.360403  1
  Cu  Cu93  1  1.003248  0.783939  0.382425  1
  Cu  Cu94  1  0.503248  0.952980  0.360403  1
  Cu  Cu95  1  0.503248  0.283939  0.382425  1
  Cu  Cu96  1  0.503248  0.623758  0.337501  1
  Cu  Cu97  1  0.003248  0.113044  0.407392  1
  Cu  Cu98  1  1.003248  0.443430  0.429335  1
  Cu  Cu99  1  1.003248  0.773351  0.450060  1
  Cu  Cu100  1  0.503248  0.943430  0.429335  1
  Cu  Cu101  1  0.503248  0.273351  0.450060  1
  Cu  Cu102  1  0.503248  0.613044  0.407392  1
  Cu  Cu103  1  1.003248  0.103735  0.471470  1
  Cu  Cu104  1  1.003248  0.433531  0.495180  1
  Cu  Cu105  1  1.003248  0.763327  0.518890  1
  Cu  Cu106  1  0.503248  0.933531  0.495180  1
  Cu  Cu107  1  0.503248  0.263327  0.518890  1
  Cu  Cu108  1  0.503248  0.603735  0.471470  1
  Cu  Cu109  1  1.003248  0.093711  0.540299  1
  Cu  Cu110  1  1.003248  0.423632  0.561025  1
  Cu  Cu111  1  1.003248  0.754018  0.582968  1
  Cu  Cu112  1  0.503248  0.923632  0.561025  1
  Cu  Cu113  1  0.503248  0.254018  0.582968  1
  Cu  Cu114  1  0.503248  0.593711  0.540299  1
  Cu  Cu115  1  1.003248  0.083124  0.607935  1
  Cu  Cu116  1  1.003248  0.414083  0.629957  1
  Cu  Cu117  1  1.003248  0.743305  0.652859  1
  Cu  Cu118  1  0.503248  0.914083  0.629957  1
  Cu  Cu119  1  0.503248  0.243305  0.652859  1
  Cu  Cu120  1  0.503248  0.583124  0.607935  1
  Cu  Cu121  1  1.003248  0.074015  0.671637  1
  Cu  Cu122  1  1.003248  0.405520  0.696274  1
  Cu  Cu123  1  1.003248  0.735440  0.713568  1
  Cu  Cu124  1  0.503248  0.905520  0.696274  1
  Cu  Cu125  1  0.503248  0.235440  0.713568  1
  Cu  Cu126  1  0.503248  0.574015  0.671637  1
