# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76372008
_cell_length_b   11.98879268
_cell_length_c   53.78135528
_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   5650.61462582
_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  0.508829  0.182195  0.347850  1
  Zr  Zr2  1  0.820079  0.497389  0.296927  1
  Zr  Zr3  1  1.008829  0.431477  0.348091  1
  Zr  Zr4  1  0.194362  0.248573  0.378915  1
  Zr  Zr5  1  1.008829  0.065586  0.347850  1
  Zr  Zr6  1  0.694362  -0.000792  0.378915  1
  Zr  Zr7  1  0.508829  0.816305  0.348091  1
  Zr  Zr8  1  0.758829  0.623891  0.348392  1
  Zr  Zr9  1  0.823939  0.498577  0.400316  1
  Zr  Zr10  1  0.196176  0.246308  0.315767  1
  Zr  Zr11  1  0.193719  0.498577  0.400316  1
  Zr  Zr12  1  0.823296  0.248573  0.378915  1
  Zr  Zr13  1  0.821483  0.246308  0.315767  1
  Zr  Zr14  1  1.008829  0.873898  0.389214  1
  Zr  Zr15  1  0.508829  0.373883  0.389214  1
  Zr  Zr16  1  0.758829  0.123891  0.263328  1
  Zr  Zr17  1  1.008829  0.683186  0.267659  1
  Zr  Zr18  1  0.323296  -0.000792  0.378915  1
  Zr  Zr19  1  0.508829  0.928441  0.268458  1
  Zr  Zr20  1  0.697579  0.750393  0.296927  1
  Zr  Zr21  1  0.508829  0.564596  0.267659  1
  Zr  Zr22  1  0.197579  0.497389  0.296927  1
  Zr  Zr23  1  1.008829  0.319341  0.268458  1
  Zr  Zr24  1  0.258829  0.123891  0.263328  1
  Zr  Zr25  1  0.321483  0.001473  0.315767  1
  Zr  Zr26  1  0.693719  0.749204  0.400316  1
  Zr  Zr27  1  0.696176  0.001473  0.315767  1
  Zr  Zr28  1  0.320079  0.750393  0.296927  1
  Zr  Zr29  1  0.323939  0.749204  0.400316  1
  Zr  Zr30  1  0.508829  0.368706  0.305638  1
  Zr  Zr31  1  1.008829  0.879075  0.305638  1
  Zr  Zr32  1  0.258829  0.623891  0.348392  1
  Zr  Zr33  1  0.508829  0.183172  0.514927  1
  Zr  Zr34  1  0.823933  0.498983  0.462582  1
  Zr  Zr35  1  1.008829  0.432909  0.514819  1
  Zr  Zr36  1  0.193793  0.248507  0.546200  1
  Zr  Zr37  1  1.008829  0.064610  0.514927  1
  Zr  Zr38  1  0.693793  -0.000725  0.546200  1
  Zr  Zr39  1  0.508829  0.814873  0.514819  1
  Zr  Zr40  1  0.758829  0.623891  0.514953  1
  Zr  Zr41  1  0.824047  0.498521  0.567103  1
  Zr  Zr42  1  0.193868  0.248681  0.483721  1
  Zr  Zr43  1  0.193611  0.498521  0.567103  1
  Zr  Zr44  1  0.823865  0.248507  0.546200  1
  Zr  Zr45  1  0.823790  0.248681  0.483721  1
  Zr  Zr46  1  1.008829  0.874506  0.556848  1
  Zr  Zr47  1  0.508829  0.373276  0.556848  1
  Zr  Zr48  1  0.758829  0.123891  0.431280  1
  Zr  Zr49  1  1.008829  0.683439  0.431315  1
  Zr  Zr50  1  0.323865  -0.000725  0.546200  1
  Zr  Zr51  1  0.508829  0.933313  0.431357  1
  Zr  Zr52  1  0.693725  0.748799  0.462582  1
  Zr  Zr53  1  0.508829  0.564343  0.431315  1
  Zr  Zr54  1  0.193725  0.498983  0.462582  1
  Zr  Zr55  1  1.008829  0.314468  0.431357  1
  Zr  Zr56  1  0.258829  0.123891  0.431280  1
  Zr  Zr57  1  0.323790  -0.000899  0.483721  1
  Zr  Zr58  1  0.693611  0.749260  0.567103  1
  Zr  Zr59  1  0.693868  -0.000899  0.483721  1
  Zr  Zr60  1  0.323933  0.748799  0.462582  1
  Zr  Zr61  1  0.324047  0.749260  0.567103  1
  Zr  Zr62  1  0.508829  0.373850  0.473179  1
  Zr  Zr63  1  1.008829  0.873932  0.473179  1
  Zr  Zr64  1  0.258829  0.623891  0.514953  1
  Zr  Zr65  1  0.508829  0.184476  0.682771  1
  Zr  Zr66  1  0.823065  0.498627  0.628951  1
  Zr  Zr67  1  1.008829  0.431943  0.679943  1
  Zr  Zr68  1  0.194547  0.245539  0.712734  1
  Zr  Zr69  1  1.008829  0.063306  0.682771  1
  Zr  Zr70  1  0.694547  0.002243  0.712734  1
  Zr  Zr71  1  0.508829  0.815839  0.679943  1
  Zr  Zr72  1  0.758829  0.623891  0.681061  1
  Zr  Zr73  1  0.827217  0.497534  0.729864  1
  Zr  Zr74  1  0.195414  0.248169  0.650987  1
  Zr  Zr75  1  0.190441  0.497534  0.729864  1
  Zr  Zr76  1  0.823112  0.245539  0.712734  1
  Zr  Zr77  1  0.822244  0.248169  0.650987  1
  Zr  Zr78  1  1.008829  0.874288  0.727438  1
  Zr  Zr79  1  0.508829  0.373493  0.727438  1
  Zr  Zr80  1  0.758829  0.123891  0.598784  1
  Zr  Zr81  1  1.008829  0.683539  0.598220  1
  Zr  Zr82  1  0.323112  0.002243  0.712734  1
  Zr  Zr83  1  0.508829  0.933728  0.598703  1
  Zr  Zr84  1  0.694594  0.749155  0.628951  1
  Zr  Zr85  1  0.508829  0.564242  0.598220  1
  Zr  Zr86  1  0.194594  0.498627  0.628951  1
  Zr  Zr87  1  1.008829  0.314053  0.598703  1
  Zr  Zr88  1  0.258829  0.123891  0.598784  1
  Zr  Zr89  1  0.322244  -0.000387  0.650987  1
  Zr  Zr90  1  0.690441  0.750248  0.729864  1
  Zr  Zr91  1  0.695414  -0.000387  0.650987  1
  Zr  Zr92  1  0.323065  0.749155  0.628951  1
  Zr  Zr93  1  0.327217  0.750248  0.729864  1
  Zr  Zr94  1  0.508829  0.375162  0.640933  1
  Zr  Zr95  1  1.008829  0.872619  0.640933  1
  Zr  Zr96  1  0.258829  0.623891  0.681061  1
  Cu  Cu97  1  0.670935  0.408231  0.347146  1
  Cu  Cu98  1  0.508829  0.585689  0.375503  1
  Cu  Cu99  1  0.668179  0.344587  0.264408  1
  Cu  Cu100  1  0.349479  0.344587  0.264408  1
  Cu  Cu101  1  0.508829  0.162902  0.403954  1
  Cu  Cu102  1  0.508829  0.160945  0.290890  1
  Cu  Cu103  1  1.008829  0.084880  0.403954  1
  Cu  Cu104  1  0.849479  0.903195  0.264408  1
  Cu  Cu105  1  0.168179  0.903195  0.264408  1
  Cu  Cu106  1  1.008829  0.086837  0.290890  1
  Cu  Cu107  1  0.170935  0.839550  0.347146  1
  Cu  Cu108  1  0.846723  0.839550  0.347146  1
  Cu  Cu109  1  1.008829  0.664938  0.320764  1
  Cu  Cu110  1  1.008829  0.662092  0.375503  1
  Cu  Cu111  1  0.508829  0.582844  0.320764  1
  Cu  Cu112  1  0.346723  0.408231  0.347146  1
  Cu  Cu113  1  0.669677  0.409237  0.515027  1
  Cu  Cu114  1  0.508829  0.584900  0.542317  1
  Cu  Cu115  1  0.669069  0.338172  0.431321  1
  Cu  Cu116  1  0.348590  0.338172  0.431321  1
  Cu  Cu117  1  0.508829  0.161860  0.571253  1
  Cu  Cu118  1  0.508829  0.162500  0.458720  1
  Cu  Cu119  1  1.008829  0.085922  0.571253  1
  Cu  Cu120  1  0.848590  0.909610  0.431321  1
  Cu  Cu121  1  0.169069  0.909610  0.431321  1
  Cu  Cu122  1  1.008829  0.085282  0.458720  1
  Cu  Cu123  1  0.169677  0.838544  0.515027  1
  Cu  Cu124  1  0.847981  0.838544  0.515027  1
  Cu  Cu125  1  1.008829  0.662607  0.487508  1
  Cu  Cu126  1  1.008829  0.662882  0.542317  1
  Cu  Cu127  1  0.508829  0.585175  0.487508  1
  Cu  Cu128  1  0.347981  0.409237  0.515027  1
  Cu  Cu129  1  0.667806  0.408106  0.683744  1
  Cu  Cu130  1  0.508829  0.578981  0.708904  1
  Cu  Cu131  1  0.668576  0.337754  0.598772  1
  Cu  Cu132  1  0.349082  0.337754  0.598772  1
  Cu  Cu133  1  0.508829  0.159386  0.734898  1
  Cu  Cu134  1  0.508829  0.163833  0.626488  1
  Cu  Cu135  1  1.008829  0.088396  0.734898  1
  Cu  Cu136  1  0.849082  0.910028  0.598772  1
  Cu  Cu137  1  0.168576  0.910028  0.598772  1
  Cu  Cu138  1  1.008829  0.083948  0.626488  1
  Cu  Cu139  1  0.167806  0.839676  0.683744  1
  Cu  Cu140  1  0.849852  0.839676  0.683744  1
  Cu  Cu141  1  1.008829  0.660385  0.653589  1
  Cu  Cu142  1  1.008829  0.668800  0.708904  1
  Cu  Cu143  1  0.508829  0.587397  0.653589  1
  Cu  Cu144  1  0.349852  0.408106  0.683744  1
