# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43895196
_cell_length_b   10.72570332
_cell_length_c   48.02561579
_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   5377.19295788
_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  0.154844  0.182631  0.325042  1
  Zr  Zr2  1  0.155740  0.874060  0.302391  1
  Zr  Zr3  1  0.153917  0.573375  0.284011  1
  Zr  Zr4  1  0.351612  0.073375  0.284011  1
  Zr  Zr5  1  0.350685  0.682631  0.325042  1
  Zr  Zr6  1  0.349789  0.374060  0.302391  1
  Zr  Zr7  1  0.653917  0.073375  0.284011  1
  Zr  Zr8  1  0.654844  0.682631  0.325042  1
  Zr  Zr9  1  0.655740  0.374060  0.302391  1
  Zr  Zr10  1  0.850685  0.182631  0.325042  1
  Zr  Zr11  1  0.849789  0.874060  0.302391  1
  Zr  Zr12  1  0.851612  0.573375  0.284011  1
  Zr  Zr13  1  0.150675  0.082431  0.391155  1
  Zr  Zr14  1  0.151013  0.784320  0.368610  1
  Zr  Zr15  1  0.150216  0.484064  0.346247  1
  Zr  Zr16  1  0.355313  0.984064  0.346247  1
  Zr  Zr17  1  0.354854  0.582431  0.391155  1
  Zr  Zr18  1  0.354516  0.284320  0.368610  1
  Zr  Zr19  1  0.650216  0.984064  0.346247  1
  Zr  Zr20  1  0.650675  0.582431  0.391155  1
  Zr  Zr21  1  0.651013  0.284320  0.368610  1
  Zr  Zr22  1  0.854854  0.082431  0.391155  1
  Zr  Zr23  1  0.854516  0.784320  0.368610  1
  Zr  Zr24  1  0.855313  0.484064  0.346247  1
  Zr  Zr25  1  0.151963  0.983580  0.458135  1
  Zr  Zr26  1  0.152210  0.683242  0.435850  1
  Zr  Zr27  1  0.151845  0.382285  0.413196  1
  Zr  Zr28  1  0.353684  0.882285  0.413196  1
  Zr  Zr29  1  0.353565  0.483580  0.458135  1
  Zr  Zr30  1  0.353319  0.183242  0.435850  1
  Zr  Zr31  1  0.651845  0.882285  0.413196  1
  Zr  Zr32  1  0.651963  0.483580  0.458135  1
  Zr  Zr33  1  0.652210  0.183242  0.435850  1
  Zr  Zr34  1  0.853565  0.983580  0.458135  1
  Zr  Zr35  1  0.853319  0.683242  0.435850  1
  Zr  Zr36  1  0.853684  0.382285  0.413196  1
  Zr  Zr37  1  0.152069  0.883829  0.525447  1
  Zr  Zr38  1  0.151891  0.583877  0.503045  1
  Zr  Zr39  1  0.152069  0.283925  0.480644  1
  Zr  Zr40  1  0.353460  0.783925  0.480644  1
  Zr  Zr41  1  0.353460  0.383829  0.525447  1
  Zr  Zr42  1  0.353638  0.083877  0.503045  1
  Zr  Zr43  1  0.652069  0.783925  0.480644  1
  Zr  Zr44  1  0.652069  0.383829  0.525447  1
  Zr  Zr45  1  0.651891  0.083877  0.503045  1
  Zr  Zr46  1  0.853460  0.883829  0.525447  1
  Zr  Zr47  1  0.853638  0.583877  0.503045  1
  Zr  Zr48  1  0.853460  0.283925  0.480644  1
  Zr  Zr49  1  0.151845  0.785469  0.592895  1
  Zr  Zr50  1  0.152210  0.484511  0.570241  1
  Zr  Zr51  1  0.151963  0.184174  0.547956  1
  Zr  Zr52  1  0.353565  0.684174  0.547956  1
  Zr  Zr53  1  0.353684  0.285469  0.592895  1
  Zr  Zr54  1  0.353319  0.984511  0.570241  1
  Zr  Zr55  1  0.651963  0.684174  0.547956  1
  Zr  Zr56  1  0.651845  0.285469  0.592895  1
  Zr  Zr57  1  0.652210  0.984511  0.570241  1
  Zr  Zr58  1  0.853684  0.785469  0.592895  1
  Zr  Zr59  1  0.853319  0.484511  0.570241  1
  Zr  Zr60  1  0.853565  0.184174  0.547956  1
  Zr  Zr61  1  0.150216  0.683690  0.659844  1
  Zr  Zr62  1  0.151013  0.383434  0.637481  1
  Zr  Zr63  1  0.150675  0.085323  0.614936  1
  Zr  Zr64  1  0.354854  0.585323  0.614936  1
  Zr  Zr65  1  0.355313  0.183690  0.659844  1
  Zr  Zr66  1  0.354516  0.883434  0.637481  1
  Zr  Zr67  1  0.650675  0.585323  0.614936  1
  Zr  Zr68  1  0.650216  0.183690  0.659844  1
  Zr  Zr69  1  0.651013  0.883434  0.637481  1
  Zr  Zr70  1  0.855313  0.683690  0.659844  1
  Zr  Zr71  1  0.854516  0.383434  0.637481  1
  Zr  Zr72  1  0.854854  0.085323  0.614936  1
  Zr  Zr73  1  0.153917  0.594379  0.722080  1
  Zr  Zr74  1  0.155740  0.293693  0.703700  1
  Zr  Zr75  1  0.154844  0.985123  0.681049  1
  Zr  Zr76  1  0.350685  0.485123  0.681049  1
  Zr  Zr77  1  0.351612  0.094379  0.722080  1
  Zr  Zr78  1  0.349789  0.793693  0.703700  1
  Zr  Zr79  1  0.654844  0.485123  0.681049  1
  Zr  Zr80  1  0.653917  0.094379  0.722080  1
  Zr  Zr81  1  0.655740  0.793693  0.703700  1
  Zr  Zr82  1  0.851612  0.594379  0.722080  1
  Zr  Zr83  1  0.849789  0.293693  0.703700  1
  Zr  Zr84  1  0.850685  0.985123  0.681049  1
  Cu  Cu85  1  0.002764  0.067834  0.287211  1
  Cu  Cu86  1  0.002764  0.684320  0.324360  1
  Cu  Cu87  1  0.002764  0.372220  0.301591  1
  Cu  Cu88  1  0.502764  0.184320  0.324360  1
  Cu  Cu89  1  0.502764  0.872220  0.301591  1
  Cu  Cu90  1  0.502764  0.567834  0.287211  1
  Cu  Cu91  1  0.002764  0.986108  0.344511  1
  Cu  Cu92  1  0.002764  0.583382  0.391302  1
  Cu  Cu93  1  0.002764  0.284005  0.367948  1
  Cu  Cu94  1  0.502764  0.083382  0.391302  1
  Cu  Cu95  1  0.502764  0.784005  0.367948  1
  Cu  Cu96  1  0.502764  0.486108  0.344511  1
  Cu  Cu97  1  0.002764  0.881820  0.413679  1
  Cu  Cu98  1  0.002764  0.483344  0.458085  1
  Cu  Cu99  1  0.002764  0.183575  0.436102  1
  Cu  Cu100  1  0.502764  0.983344  0.458085  1
  Cu  Cu101  1  0.502764  0.683575  0.436102  1
  Cu  Cu102  1  0.502764  0.381820  0.413679  1
  Cu  Cu103  1  0.002764  0.783749  0.480631  1
  Cu  Cu104  1  0.002764  0.384005  0.525460  1
  Cu  Cu105  1  0.002764  0.083877  0.503045  1
  Cu  Cu106  1  0.502764  0.884005  0.525460  1
  Cu  Cu107  1  0.502764  0.583877  0.503045  1
  Cu  Cu108  1  0.502764  0.283749  0.480631  1
  Cu  Cu109  1  0.002764  0.684410  0.548006  1
  Cu  Cu110  1  0.002764  0.285934  0.592412  1
  Cu  Cu111  1  0.002764  0.984179  0.569989  1
  Cu  Cu112  1  0.502764  0.785934  0.592412  1
  Cu  Cu113  1  0.502764  0.484179  0.569989  1
  Cu  Cu114  1  0.502764  0.184410  0.548006  1
  Cu  Cu115  1  0.002764  0.584372  0.614789  1
  Cu  Cu116  1  0.002764  0.181646  0.661580  1
  Cu  Cu117  1  0.002764  0.883749  0.638142  1
  Cu  Cu118  1  0.502764  0.681646  0.661580  1
  Cu  Cu119  1  0.502764  0.383749  0.638142  1
  Cu  Cu120  1  0.502764  0.084372  0.614789  1
  Cu  Cu121  1  0.002764  0.483433  0.681731  1
  Cu  Cu122  1  0.002764  0.099920  0.718880  1
  Cu  Cu123  1  0.002764  0.795534  0.704500  1
  Cu  Cu124  1  0.502764  0.599920  0.718880  1
  Cu  Cu125  1  0.502764  0.295534  0.704500  1
  Cu  Cu126  1  0.502764  0.983433  0.681731  1
