# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.78775006
_cell_length_b   10.16622066
_cell_length_c   49.39007250
_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   5416.64123324
_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  0.649696  0.031630  0.288681  1
  Zr  Zr2  1  0.659697  0.636601  0.327805  1
  Zr  Zr3  1  0.655468  0.334931  0.305245  1
  Zr  Zr4  1  0.854933  0.136601  0.327805  1
  Zr  Zr5  1  0.859162  0.834931  0.305245  1
  Zr  Zr6  1  0.864934  0.531630  0.288681  1
  Zr  Zr7  1  0.159697  0.136601  0.327805  1
  Zr  Zr8  1  0.155468  0.834931  0.305245  1
  Zr  Zr9  1  0.149696  0.531630  0.288681  1
  Zr  Zr10  1  0.364934  0.031630  0.288681  1
  Zr  Zr11  1  0.354933  0.636601  0.327805  1
  Zr  Zr12  1  0.359162  0.334931  0.305245  1
  Zr  Zr13  1  0.649753  0.936411  0.348165  1
  Zr  Zr14  1  0.652806  0.533463  0.389979  1
  Zr  Zr15  1  0.655947  0.239925  0.369217  1
  Zr  Zr16  1  0.861824  0.033463  0.389979  1
  Zr  Zr17  1  0.858683  0.739925  0.369217  1
  Zr  Zr18  1  0.864877  0.436411  0.348165  1
  Zr  Zr19  1  0.152806  0.033463  0.389979  1
  Zr  Zr20  1  0.155947  0.739925  0.369217  1
  Zr  Zr21  1  0.149753  0.436411  0.348165  1
  Zr  Zr22  1  0.364877  0.936411  0.348165  1
  Zr  Zr23  1  0.361824  0.533463  0.389979  1
  Zr  Zr24  1  0.358683  0.239925  0.369217  1
  Zr  Zr25  1  0.652339  0.836671  0.410761  1
  Zr  Zr26  1  0.654354  0.434068  0.452825  1
  Zr  Zr27  1  0.657641  0.135043  0.431891  1
  Zr  Zr28  1  0.860276  0.934068  0.452825  1
  Zr  Zr29  1  0.856989  0.635043  0.431891  1
  Zr  Zr30  1  0.862291  0.336671  0.410761  1
  Zr  Zr31  1  0.154354  0.934068  0.452825  1
  Zr  Zr32  1  0.157641  0.635043  0.431891  1
  Zr  Zr33  1  0.152339  0.336671  0.410761  1
  Zr  Zr34  1  0.362291  0.836671  0.410761  1
  Zr  Zr35  1  0.360276  0.434068  0.452825  1
  Zr  Zr36  1  0.356989  0.135043  0.431891  1
  Zr  Zr37  1  0.652914  0.735891  0.473864  1
  Zr  Zr38  1  0.652914  0.331955  0.515310  1
  Zr  Zr39  1  0.655464  0.033923  0.494587  1
  Zr  Zr40  1  0.861716  0.831955  0.515310  1
  Zr  Zr41  1  0.859166  0.533923  0.494587  1
  Zr  Zr42  1  0.861716  0.235891  0.473864  1
  Zr  Zr43  1  0.152914  0.831955  0.515310  1
  Zr  Zr44  1  0.155464  0.533923  0.494587  1
  Zr  Zr45  1  0.152914  0.235891  0.473864  1
  Zr  Zr46  1  0.361716  0.735891  0.473864  1
  Zr  Zr47  1  0.361716  0.331955  0.515310  1
  Zr  Zr48  1  0.359166  0.033923  0.494587  1
  Zr  Zr49  1  0.654354  0.633778  0.536349  1
  Zr  Zr50  1  0.652339  0.231174  0.578413  1
  Zr  Zr51  1  0.657641  0.932803  0.557283  1
  Zr  Zr52  1  0.862291  0.731174  0.578413  1
  Zr  Zr53  1  0.856989  0.432803  0.557283  1
  Zr  Zr54  1  0.860276  0.133778  0.536349  1
  Zr  Zr55  1  0.152339  0.731174  0.578413  1
  Zr  Zr56  1  0.157641  0.432803  0.557283  1
  Zr  Zr57  1  0.154354  0.133778  0.536349  1
  Zr  Zr58  1  0.360276  0.633778  0.536349  1
  Zr  Zr59  1  0.362291  0.231174  0.578413  1
  Zr  Zr60  1  0.356989  0.932803  0.557283  1
  Zr  Zr61  1  0.652806  0.534382  0.599195  1
  Zr  Zr62  1  0.649753  0.131435  0.641009  1
  Zr  Zr63  1  0.655947  0.827920  0.619957  1
  Zr  Zr64  1  0.864877  0.631435  0.641009  1
  Zr  Zr65  1  0.858683  0.327920  0.619957  1
  Zr  Zr66  1  0.861824  0.034382  0.599195  1
  Zr  Zr67  1  0.149753  0.631435  0.641009  1
  Zr  Zr68  1  0.155947  0.327920  0.619957  1
  Zr  Zr69  1  0.152806  0.034382  0.599195  1
  Zr  Zr70  1  0.361824  0.534382  0.599195  1
  Zr  Zr71  1  0.364877  0.131435  0.641009  1
  Zr  Zr72  1  0.358683  0.827920  0.619957  1
  Zr  Zr73  1  0.659697  0.431244  0.661369  1
  Zr  Zr74  1  0.649696  0.036215  0.700493  1
  Zr  Zr75  1  0.655468  0.732915  0.683929  1
  Zr  Zr76  1  0.864934  0.536215  0.700493  1
  Zr  Zr77  1  0.859162  0.232915  0.683929  1
  Zr  Zr78  1  0.854933  0.931244  0.661369  1
  Zr  Zr79  1  0.149696  0.536215  0.700493  1
  Zr  Zr80  1  0.155468  0.232915  0.683929  1
  Zr  Zr81  1  0.159697  0.931244  0.661369  1
  Zr  Zr82  1  0.354933  0.431244  0.661369  1
  Zr  Zr83  1  0.364934  0.036215  0.700493  1
  Zr  Zr84  1  0.359162  0.732915  0.683929  1
  Cu  Cu85  1  0.507315  0.146636  0.328947  1
  Cu  Cu86  1  0.507315  0.816833  0.304985  1
  Cu  Cu87  1  0.507315  0.543350  0.291053  1
  Cu  Cu88  1  0.007315  0.043350  0.291053  1
  Cu  Cu89  1  0.007315  0.646636  0.328947  1
  Cu  Cu90  1  0.007315  0.316833  0.304985  1
  Cu  Cu91  1  0.507315  0.044179  0.390458  1
  Cu  Cu92  1  0.507315  0.731842  0.368352  1
  Cu  Cu93  1  0.507315  0.437247  0.345847  1
  Cu  Cu94  1  0.007315  0.937247  0.345847  1
  Cu  Cu95  1  0.007315  0.544179  0.390458  1
  Cu  Cu96  1  0.007315  0.231842  0.368352  1
  Cu  Cu97  1  0.507315  0.939401  0.452839  1
  Cu  Cu98  1  0.507315  0.634345  0.432001  1
  Cu  Cu99  1  0.507315  0.330145  0.411695  1
  Cu  Cu100  1  0.007315  0.830145  0.411695  1
  Cu  Cu101  1  0.007315  0.439401  0.452839  1
  Cu  Cu102  1  0.007315  0.134345  0.432001  1
  Cu  Cu103  1  0.507315  0.836588  0.516376  1
  Cu  Cu104  1  0.507315  0.533923  0.494587  1
  Cu  Cu105  1  0.507315  0.231257  0.472798  1
  Cu  Cu106  1  0.007315  0.731257  0.472798  1
  Cu  Cu107  1  0.007315  0.336588  0.516376  1
  Cu  Cu108  1  0.007315  0.033923  0.494587  1
  Cu  Cu109  1  0.507315  0.737701  0.577480  1
  Cu  Cu110  1  0.507315  0.433500  0.557173  1
  Cu  Cu111  1  0.507315  0.128445  0.536335  1
  Cu  Cu112  1  0.007315  0.628445  0.536335  1
  Cu  Cu113  1  0.007315  0.237701  0.577480  1
  Cu  Cu114  1  0.007315  0.933500  0.557173  1
  Cu  Cu115  1  0.507315  0.630599  0.643327  1
  Cu  Cu116  1  0.507315  0.336003  0.620823  1
  Cu  Cu117  1  0.507315  0.023667  0.598716  1
  Cu  Cu118  1  0.007315  0.523667  0.598716  1
  Cu  Cu119  1  0.007315  0.130599  0.643327  1
  Cu  Cu120  1  0.007315  0.836003  0.620823  1
  Cu  Cu121  1  0.507315  0.524495  0.698121  1
  Cu  Cu122  1  0.507315  0.251013  0.684189  1
  Cu  Cu123  1  0.507315  0.921210  0.660227  1
  Cu  Cu124  1  0.007315  0.421210  0.660227  1
  Cu  Cu125  1  0.007315  0.024495  0.698121  1
  Cu  Cu126  1  0.007315  0.751013  0.684189  1
