# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.06212505
_cell_length_b   12.06212505
_cell_length_c   62.25765806
_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   'Zr128 Cu64'
_cell_volume   9058.16929502
_cell_formula_units_Z   64
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  0.689128  0.506740  0.398643  1
  Zr  Zr2  1  0.006198  0.506198  0.337933  1
  Zr  Zr3  1  0.942576  0.755924  0.448634  1
  Zr  Zr4  1  0.756471  0.569820  0.448634  1
  Zr  Zr5  1  0.569820  0.756471  0.448634  1
  Zr  Zr6  1  1.005656  0.823268  0.398643  1
  Zr  Zr7  1  0.827164  0.504303  0.301414  1
  Zr  Zr8  1  0.633889  0.378506  0.474337  1
  Zr  Zr9  1  0.006740  0.189128  0.398643  1
  Zr  Zr10  1  0.756198  0.756198  0.413196  1
  Zr  Zr11  1  0.006198  0.506198  0.461437  1
  Zr  Zr12  1  0.756198  0.756198  0.484321  1
  Zr  Zr13  1  0.755924  0.942576  0.448634  1
  Zr  Zr14  1  0.874462  0.637934  0.373905  1
  Zr  Zr15  1  0.880276  0.380276  0.422444  1
  Zr  Zr16  1  0.628740  0.628740  0.320471  1
  Zr  Zr17  1  0.189128  0.006740  0.398643  1
  Zr  Zr18  1  0.506198  0.006198  0.337933  1
  Zr  Zr19  1  0.442576  0.255924  0.448634  1
  Zr  Zr20  1  0.256471  0.069820  0.448634  1
  Zr  Zr21  1  0.069820  0.256471  0.448634  1
  Zr  Zr22  1  0.505656  0.323268  0.398643  1
  Zr  Zr23  1  0.327164  1.004303  0.301414  1
  Zr  Zr24  1  0.133889  0.878506  0.474337  1
  Zr  Zr25  1  0.506740  0.689128  0.398643  1
  Zr  Zr26  1  0.256198  0.256198  0.413196  1
  Zr  Zr27  1  0.506198  0.006198  0.461437  1
  Zr  Zr28  1  0.256198  0.256198  0.484321  1
  Zr  Zr29  1  0.255924  0.442576  0.448634  1
  Zr  Zr30  1  0.374462  0.137934  0.373905  1
  Zr  Zr31  1  0.380276  0.880276  0.422444  1
  Zr  Zr32  1  0.128740  0.128740  0.320471  1
  Zr  Zr33  1  0.685231  0.008093  0.301414  1
  Zr  Zr34  1  0.006198  0.006198  0.436032  1
  Zr  Zr35  1  0.942942  0.254182  0.348608  1
  Zr  Zr36  1  0.758213  0.069454  0.348608  1
  Zr  Zr37  1  0.569454  0.258213  0.348608  1
  Zr  Zr38  1  1.004303  0.327164  0.301414  1
  Zr  Zr39  1  0.823268  1.005656  0.398643  1
  Zr  Zr40  1  0.637934  0.874462  0.373905  1
  Zr  Zr41  1  0.008093  0.685231  0.301414  1
  Zr  Zr42  1  0.756198  0.256198  0.313211  1
  Zr  Zr43  1  0.006198  0.006198  0.360801  1
  Zr  Zr44  1  0.756198  0.256198  0.384406  1
  Zr  Zr45  1  0.754182  0.442942  0.348608  1
  Zr  Zr46  1  0.878506  0.133889  0.474337  1
  Zr  Zr47  1  0.883655  0.883655  0.320471  1
  Zr  Zr48  1  0.632120  0.132120  0.422444  1
  Zr  Zr49  1  0.185231  0.508093  0.301414  1
  Zr  Zr50  1  0.506198  0.506198  0.436032  1
  Zr  Zr51  1  0.442942  0.754182  0.348608  1
  Zr  Zr52  1  0.258213  0.569454  0.348608  1
  Zr  Zr53  1  0.069454  0.758213  0.348608  1
  Zr  Zr54  1  0.504303  0.827164  0.301414  1
  Zr  Zr55  1  0.323268  0.505656  0.398643  1
  Zr  Zr56  1  0.137934  0.374462  0.373905  1
  Zr  Zr57  1  0.508093  0.185231  0.301414  1
  Zr  Zr58  1  0.256198  0.756198  0.313211  1
  Zr  Zr59  1  0.506198  0.506198  0.360801  1
  Zr  Zr60  1  0.256198  0.756198  0.384406  1
  Zr  Zr61  1  0.254182  0.942942  0.348608  1
  Zr  Zr62  1  0.378506  0.633889  0.474337  1
  Zr  Zr63  1  0.383655  0.383655  0.320471  1
  Zr  Zr64  1  0.132120  0.632120  0.422444  1
  Zr  Zr65  1  0.687572  0.505853  0.598964  1
  Zr  Zr66  1  0.006198  0.506198  0.536302  1
  Zr  Zr67  1  0.946314  0.756846  0.648688  1
  Zr  Zr68  1  0.755549  0.566081  0.648688  1
  Zr  Zr69  1  0.566081  0.755549  0.648688  1
  Zr  Zr70  1  0.006542  0.824823  0.598964  1
  Zr  Zr71  1  0.823095  0.506123  0.498768  1
  Zr  Zr72  1  0.633840  0.378556  0.676567  1
  Zr  Zr73  1  1.005853  0.187572  0.598964  1
  Zr  Zr74  1  0.756198  0.756198  0.613692  1
  Zr  Zr75  1  0.006198  0.506198  0.660672  1
  Zr  Zr76  1  0.756198  0.756198  0.681413  1
  Zr  Zr77  1  0.756846  0.946314  0.648688  1
  Zr  Zr78  1  0.878414  0.633982  0.575268  1
  Zr  Zr79  1  0.875524  0.375524  0.622731  1
  Zr  Zr80  1  0.633836  0.633836  0.522867  1
  Zr  Zr81  1  0.187572  1.005853  0.598964  1
  Zr  Zr82  1  0.506198  0.006198  0.536302  1
  Zr  Zr83  1  0.446314  0.256846  0.648688  1
  Zr  Zr84  1  0.255549  0.066081  0.648688  1
  Zr  Zr85  1  0.066081  0.255549  0.648688  1
  Zr  Zr86  1  0.506542  0.324823  0.598964  1
  Zr  Zr87  1  0.323095  1.006123  0.498768  1
  Zr  Zr88  1  0.133840  0.878556  0.676567  1
  Zr  Zr89  1  0.505853  0.687572  0.598964  1
  Zr  Zr90  1  0.256198  0.256198  0.613692  1
  Zr  Zr91  1  0.506198  0.006198  0.660672  1
  Zr  Zr92  1  0.256198  0.256198  0.681413  1
  Zr  Zr93  1  0.256846  0.446314  0.648688  1
  Zr  Zr94  1  0.378414  0.133982  0.575268  1
  Zr  Zr95  1  0.375524  0.875524  0.622731  1
  Zr  Zr96  1  0.133836  0.133836  0.522867  1
  Zr  Zr97  1  0.689301  0.006273  0.498768  1
  Zr  Zr98  1  0.006198  0.006198  0.638154  1
  Zr  Zr99  1  0.942902  0.256193  0.548880  1
  Zr  Zr100  1  0.756202  0.069494  0.548880  1
  Zr  Zr101  1  0.569494  0.256202  0.548880  1
  Zr  Zr102  1  1.006123  0.323095  0.498768  1
  Zr  Zr103  1  0.824823  0.006542  0.598964  1
  Zr  Zr104  1  0.633982  0.878414  0.575268  1
  Zr  Zr105  1  0.006273  0.689301  0.498768  1
  Zr  Zr106  1  0.756198  0.256198  0.513191  1
  Zr  Zr107  1  0.006198  0.006198  0.561116  1
  Zr  Zr108  1  0.756198  0.256198  0.584072  1
  Zr  Zr109  1  0.756193  0.442902  0.548880  1
  Zr  Zr110  1  0.878556  0.133840  0.676567  1
  Zr  Zr111  1  0.878559  0.878559  0.522867  1
  Zr  Zr112  1  0.636872  0.136872  0.622731  1
  Zr  Zr113  1  0.189301  0.506273  0.498768  1
  Zr  Zr114  1  0.506198  0.506198  0.638154  1
  Zr  Zr115  1  0.442902  0.756193  0.548880  1
  Zr  Zr116  1  0.256202  0.569494  0.548880  1
  Zr  Zr117  1  0.069494  0.756202  0.548880  1
  Zr  Zr118  1  0.506123  0.823095  0.498768  1
  Zr  Zr119  1  0.324823  0.506542  0.598964  1
  Zr  Zr120  1  0.133982  0.378414  0.575268  1
  Zr  Zr121  1  0.506273  0.189301  0.498768  1
  Zr  Zr122  1  0.256198  0.756198  0.513191  1
  Zr  Zr123  1  0.506198  0.506198  0.561116  1
  Zr  Zr124  1  0.256198  0.756198  0.584072  1
  Zr  Zr125  1  0.256193  0.942902  0.548880  1
  Zr  Zr126  1  0.378556  0.633840  0.676567  1
  Zr  Zr127  1  0.378559  0.378559  0.522867  1
  Zr  Zr128  1  0.136872  0.636872  0.622731  1
  Cu  Cu129  1  0.925367  0.425367  0.381704  1
  Cu  Cu130  1  0.599075  0.413320  0.313381  1
  Cu  Cu131  1  0.840051  0.172345  0.433056  1
  Cu  Cu132  1  0.841478  0.341478  0.463780  1
  Cu  Cu133  1  0.672345  0.340051  0.433056  1
  Cu  Cu134  1  0.670917  0.170917  0.463780  1
  Cu  Cu135  1  0.588552  0.588552  0.482387  1
  Cu  Cu136  1  0.922290  0.590105  0.414293  1
  Cu  Cu137  1  0.425367  0.925367  0.381704  1
  Cu  Cu138  1  0.099075  0.913320  0.313381  1
  Cu  Cu139  1  0.340051  0.672345  0.433056  1
  Cu  Cu140  1  0.341478  0.841478  0.463780  1
  Cu  Cu141  1  0.172345  0.840051  0.433056  1
  Cu  Cu142  1  0.170917  0.670917  0.463780  1
  Cu  Cu143  1  0.088552  0.088552  0.482387  1
  Cu  Cu144  1  0.422290  0.090105  0.414293  1
  Cu  Cu145  1  0.923843  0.923843  0.482387  1
  Cu  Cu146  1  0.590105  0.922290  0.414293  1
  Cu  Cu147  1  0.837342  0.675053  0.333349  1
  Cu  Cu148  1  0.845706  0.845706  0.362547  1
  Cu  Cu149  1  0.675053  0.837342  0.333349  1
  Cu  Cu150  1  0.666689  0.666689  0.362547  1
  Cu  Cu151  1  0.587028  0.087028  0.381704  1
  Cu  Cu152  1  0.913320  0.099075  0.313381  1
  Cu  Cu153  1  0.423843  0.423843  0.482387  1
  Cu  Cu154  1  0.090105  0.422290  0.414293  1
  Cu  Cu155  1  0.337342  0.175053  0.333349  1
  Cu  Cu156  1  0.345706  0.345706  0.362547  1
  Cu  Cu157  1  0.175053  0.337342  0.333349  1
  Cu  Cu158  1  0.166689  0.166689  0.362547  1
  Cu  Cu159  1  0.087028  0.587028  0.381704  1
  Cu  Cu160  1  0.413320  0.599075  0.313381  1
  Cu  Cu161  1  0.923751  0.423751  0.582578  1
  Cu  Cu162  1  0.588832  0.423564  0.514925  1
  Cu  Cu163  1  0.843494  0.168901  0.634847  1
  Cu  Cu164  1  0.838247  0.338247  0.663376  1
  Cu  Cu165  1  0.668901  0.343494  0.634847  1
  Cu  Cu166  1  0.674148  0.174148  0.663376  1
  Cu  Cu167  1  0.590576  0.590576  0.680141  1
  Cu  Cu168  1  0.925334  0.587062  0.615655  1
  Cu  Cu169  1  0.423751  0.923751  0.582578  1
  Cu  Cu170  1  0.088832  0.923564  0.514925  1
  Cu  Cu171  1  0.343494  0.668901  0.634847  1
  Cu  Cu172  1  0.338247  0.838247  0.663376  1
  Cu  Cu173  1  0.168901  0.843494  0.634847  1
  Cu  Cu174  1  0.174148  0.674148  0.663376  1
  Cu  Cu175  1  0.090576  0.090576  0.680141  1
  Cu  Cu176  1  0.425334  0.087062  0.615655  1
  Cu  Cu177  1  0.921820  0.921820  0.680141  1
  Cu  Cu178  1  0.587062  0.925334  0.615655  1
  Cu  Cu179  1  0.841340  0.671055  0.533713  1
  Cu  Cu180  1  0.840918  0.840918  0.564124  1
  Cu  Cu181  1  0.671055  0.841340  0.533713  1
  Cu  Cu182  1  0.671477  0.671477  0.564124  1
  Cu  Cu183  1  0.588644  0.088644  0.582578  1
  Cu  Cu184  1  0.923564  0.088832  0.514925  1
  Cu  Cu185  1  0.421820  0.421820  0.680141  1
  Cu  Cu186  1  0.087062  0.425334  0.615655  1
  Cu  Cu187  1  0.341340  0.171055  0.533713  1
  Cu  Cu188  1  0.340918  0.340918  0.564124  1
  Cu  Cu189  1  0.171055  0.341340  0.533713  1
  Cu  Cu190  1  0.171477  0.171477  0.564124  1
  Cu  Cu191  1  0.088644  0.588644  0.582578  1
  Cu  Cu192  1  0.423564  0.588832  0.514925  1
