# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.94855673
_cell_length_b   12.48533581
_cell_length_c   50.47627049
_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   7530.13801955
_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  0.823273  0.552546  0.264912  1
  Zr  Zr2  1  0.498993  0.225291  0.264873  1
  Zr  Zr3  1  0.564472  0.793055  0.322472  1
  Zr  Zr4  1  0.750571  0.796764  0.279341  1
  Zr  Zr5  1  0.936669  0.800473  0.322472  1
  Zr  Zr6  1  0.000571  0.046764  0.334506  1
  Zr  Zr7  1  0.177868  0.540982  0.264912  1
  Zr  Zr8  1  0.372071  0.915473  0.354449  1
  Zr  Zr9  1  0.500571  0.046764  0.309786  1
  Zr  Zr10  1  0.748410  0.607919  0.322239  1
  Zr  Zr11  1  0.502148  0.868237  0.264873  1
  Zr  Zr12  1  0.752731  0.985609  0.322239  1
  Zr  Zr13  1  0.750571  0.796764  0.367823  1
  Zr  Zr14  1  0.124758  0.922778  0.286838  1
  Zr  Zr15  1  0.629071  0.178056  0.354449  1
  Zr  Zr16  1  0.876384  0.170750  0.286838  1
  Zr  Zr17  1  0.323273  0.052546  0.264912  1
  Zr  Zr18  1  0.998993  0.725291  0.264873  1
  Zr  Zr19  1  0.064472  0.293055  0.322472  1
  Zr  Zr20  1  0.250571  0.296764  0.279341  1
  Zr  Zr21  1  0.436669  0.300473  0.322472  1
  Zr  Zr22  1  0.500571  0.546764  0.334506  1
  Zr  Zr23  1  0.677868  0.040982  0.264912  1
  Zr  Zr24  1  0.872071  0.415473  0.354449  1
  Zr  Zr25  1  0.000571  0.546764  0.309786  1
  Zr  Zr26  1  0.248410  0.107919  0.322239  1
  Zr  Zr27  1  0.002148  0.368237  0.264873  1
  Zr  Zr28  1  0.252731  0.485609  0.322239  1
  Zr  Zr29  1  0.250571  0.296764  0.367823  1
  Zr  Zr30  1  0.624758  0.422778  0.286838  1
  Zr  Zr31  1  0.129071  0.678056  0.354449  1
  Zr  Zr32  1  0.376384  0.670750  0.286838  1
  Zr  Zr33  1  0.817705  0.046861  0.384528  1
  Zr  Zr34  1  0.500075  0.727324  0.384646  1
  Zr  Zr35  1  0.565935  0.296402  0.447252  1
  Zr  Zr36  1  0.750571  0.296764  0.402162  1
  Zr  Zr37  1  0.935207  0.297127  0.447252  1
  Zr  Zr38  1  0.000571  0.546764  0.462044  1
  Zr  Zr39  1  0.183437  0.046668  0.384528  1
  Zr  Zr40  1  0.374724  0.417718  0.479731  1
  Zr  Zr41  1  0.500571  0.546764  0.432938  1
  Zr  Zr42  1  0.750411  0.107981  0.447193  1
  Zr  Zr43  1  0.501067  0.366204  0.384646  1
  Zr  Zr44  1  0.750731  0.485547  0.447193  1
  Zr  Zr45  1  0.750571  0.296764  0.492866  1
  Zr  Zr46  1  0.125895  0.417881  0.414483  1
  Zr  Zr47  1  0.626418  0.675810  0.479731  1
  Zr  Zr48  1  0.875247  0.675647  0.414483  1
  Zr  Zr49  1  0.317705  0.546861  0.384528  1
  Zr  Zr50  1  1.000075  0.227324  0.384646  1
  Zr  Zr51  1  0.065935  0.796402  0.447252  1
  Zr  Zr52  1  0.250571  0.796764  0.402162  1
  Zr  Zr53  1  0.435207  0.797127  0.447252  1
  Zr  Zr54  1  0.500571  0.046764  0.462044  1
  Zr  Zr55  1  0.683437  0.546668  0.384528  1
  Zr  Zr56  1  0.874724  0.917718  0.479731  1
  Zr  Zr57  1  0.000571  0.046764  0.432938  1
  Zr  Zr58  1  0.250411  0.607981  0.447193  1
  Zr  Zr59  1  0.001067  0.866204  0.384646  1
  Zr  Zr60  1  0.250731  0.985547  0.447193  1
  Zr  Zr61  1  0.250571  0.796764  0.492866  1
  Zr  Zr62  1  0.625895  0.917881  0.414483  1
  Zr  Zr63  1  0.126418  0.175810  0.479731  1
  Zr  Zr64  1  0.375247  0.175647  0.414483  1
  Zr  Zr65  1  0.816931  0.546697  0.510091  1
  Zr  Zr66  1  0.500535  0.228977  0.510093  1
  Zr  Zr67  1  0.565920  0.796880  0.572943  1
  Zr  Zr68  1  0.750571  0.796764  0.527360  1
  Zr  Zr69  1  0.935222  0.796649  0.572943  1
  Zr  Zr70  1  0.000571  0.046764  0.587176  1
  Zr  Zr71  1  0.184211  0.546832  0.510091  1
  Zr  Zr72  1  0.375037  0.916507  0.605880  1
  Zr  Zr73  1  0.500571  0.046764  0.558195  1
  Zr  Zr74  1  0.750526  0.607468  0.572958  1
  Zr  Zr75  1  0.500607  0.864551  0.510093  1
  Zr  Zr76  1  0.750616  0.986060  0.572958  1
  Zr  Zr77  1  0.750571  0.796764  0.617954  1
  Zr  Zr78  1  0.126277  0.917472  0.540362  1
  Zr  Zr79  1  0.626104  0.177021  0.605880  1
  Zr  Zr80  1  0.874864  0.176056  0.540362  1
  Zr  Zr81  1  0.316931  0.046697  0.510091  1
  Zr  Zr82  1  1.000535  0.728977  0.510093  1
  Zr  Zr83  1  0.065920  0.296880  0.572943  1
  Zr  Zr84  1  0.250571  0.296764  0.527360  1
  Zr  Zr85  1  0.435222  0.296649  0.572943  1
  Zr  Zr86  1  0.500571  0.546764  0.587176  1
  Zr  Zr87  1  0.684211  0.046832  0.510091  1
  Zr  Zr88  1  0.875037  0.416507  0.605880  1
  Zr  Zr89  1  0.000571  0.546764  0.558195  1
  Zr  Zr90  1  0.250526  0.107468  0.572958  1
  Zr  Zr91  1  0.000607  0.364551  0.510093  1
  Zr  Zr92  1  0.250616  0.486060  0.572958  1
  Zr  Zr93  1  0.250571  0.296764  0.617954  1
  Zr  Zr94  1  0.626277  0.417472  0.540362  1
  Zr  Zr95  1  0.126104  0.677021  0.605880  1
  Zr  Zr96  1  0.374864  0.676056  0.540362  1
  Zr  Zr97  1  0.817663  0.046964  0.635839  1
  Zr  Zr98  1  0.501138  0.726116  0.635540  1
  Zr  Zr99  1  0.561417  0.300383  0.697577  1
  Zr  Zr100  1  0.750571  0.296764  0.653432  1
  Zr  Zr101  1  0.939725  0.293146  0.697577  1
  Zr  Zr102  1  0.000571  0.546764  0.711170  1
  Zr  Zr103  1  0.183478  0.046564  0.635839  1
  Zr  Zr104  1  0.376513  0.419568  0.731658  1
  Zr  Zr105  1  0.500571  0.546764  0.686042  1
  Zr  Zr106  1  0.751133  0.103081  0.698341  1
  Zr  Zr107  1  0.500004  0.367412  0.635540  1
  Zr  Zr108  1  0.750009  0.490447  0.698341  1
  Zr  Zr109  1  0.750571  0.296764  0.736970  1
  Zr  Zr110  1  0.126700  0.415257  0.665405  1
  Zr  Zr111  1  0.624629  0.673960  0.731658  1
  Zr  Zr112  1  0.874442  0.678271  0.665405  1
  Zr  Zr113  1  0.317663  0.546964  0.635839  1
  Zr  Zr114  1  0.001138  0.226116  0.635540  1
  Zr  Zr115  1  0.061417  0.800383  0.697577  1
  Zr  Zr116  1  0.250571  0.796764  0.653432  1
  Zr  Zr117  1  0.439725  0.793146  0.697577  1
  Zr  Zr118  1  0.500571  0.046764  0.711170  1
  Zr  Zr119  1  0.683478  0.546564  0.635839  1
  Zr  Zr120  1  0.876513  0.919568  0.731658  1
  Zr  Zr121  1  0.000571  0.046764  0.686042  1
  Zr  Zr122  1  0.251133  0.603081  0.698341  1
  Zr  Zr123  1  1.000004  0.867412  0.635540  1
  Zr  Zr124  1  0.250009  0.990447  0.698341  1
  Zr  Zr125  1  0.250571  0.796764  0.736970  1
  Zr  Zr126  1  0.626700  0.915257  0.665405  1
  Zr  Zr127  1  0.124629  0.173960  0.731658  1
  Zr  Zr128  1  0.374442  0.178271  0.665405  1
  Cu  Cu129  1  0.587159  0.968474  0.363141  1
  Cu  Cu130  1  0.413983  0.125054  0.363141  1
  Cu  Cu131  1  0.666382  0.217409  0.303701  1
  Cu  Cu132  1  0.659331  0.384308  0.339985  1
  Cu  Cu133  1  0.841811  0.209221  0.339985  1
  Cu  Cu134  1  0.834760  0.376119  0.303701  1
  Cu  Cu135  1  0.906370  0.957212  0.278654  1
  Cu  Cu136  1  0.094772  0.136316  0.278654  1
  Cu  Cu137  1  0.087159  0.468474  0.363141  1
  Cu  Cu138  1  0.913983  0.625054  0.363141  1
  Cu  Cu139  1  0.166382  0.717409  0.303701  1
  Cu  Cu140  1  0.159331  0.884308  0.339985  1
  Cu  Cu141  1  0.341811  0.709221  0.339985  1
  Cu  Cu142  1  0.334760  0.876119  0.303701  1
  Cu  Cu143  1  0.406370  0.457212  0.278654  1
  Cu  Cu144  1  0.594772  0.636316  0.278654  1
  Cu  Cu145  1  0.588613  0.467365  0.489380  1
  Cu  Cu146  1  0.412529  0.626164  0.489380  1
  Cu  Cu147  1  0.662698  0.713223  0.427918  1
  Cu  Cu148  1  0.661962  0.881007  0.466620  1
  Cu  Cu149  1  0.839179  0.712522  0.466620  1
  Cu  Cu150  1  0.838444  0.880306  0.427918  1
  Cu  Cu151  1  0.912488  0.467547  0.404962  1
  Cu  Cu152  1  0.088654  0.625981  0.404962  1
  Cu  Cu153  1  0.088613  0.967365  0.489380  1
  Cu  Cu154  1  0.912529  0.126164  0.489380  1
  Cu  Cu155  1  0.162698  0.213223  0.427918  1
  Cu  Cu156  1  0.161962  0.381007  0.466620  1
  Cu  Cu157  1  0.339179  0.212522  0.466620  1
  Cu  Cu158  1  0.338444  0.380306  0.427918  1
  Cu  Cu159  1  0.412488  0.967547  0.404962  1
  Cu  Cu160  1  0.588654  0.125981  0.404962  1
  Cu  Cu161  1  0.588635  0.968334  0.614738  1
  Cu  Cu162  1  0.412507  0.125195  0.614738  1
  Cu  Cu163  1  0.661992  0.212415  0.553601  1
  Cu  Cu164  1  0.662699  0.381182  0.592199  1
  Cu  Cu165  1  0.838443  0.212346  0.592199  1
  Cu  Cu166  1  0.839150  0.381114  0.553601  1
  Cu  Cu167  1  0.912435  0.967470  0.530738  1
  Cu  Cu168  1  0.088707  0.126058  0.530738  1
  Cu  Cu169  1  0.088635  0.468334  0.614738  1
  Cu  Cu170  1  0.912507  0.625195  0.614738  1
  Cu  Cu171  1  0.161992  0.712415  0.553601  1
  Cu  Cu172  1  0.162699  0.881182  0.592199  1
  Cu  Cu173  1  0.338443  0.712346  0.592199  1
  Cu  Cu174  1  0.339150  0.881114  0.553601  1
  Cu  Cu175  1  0.412435  0.467470  0.530738  1
  Cu  Cu176  1  0.588707  0.626058  0.530738  1
  Cu  Cu177  1  0.590351  0.464017  0.738724  1
  Cu  Cu178  1  0.410790  0.629512  0.738724  1
  Cu  Cu179  1  0.662948  0.710449  0.679867  1
  Cu  Cu180  1  0.664343  0.876283  0.716279  1
  Cu  Cu181  1  0.836799  0.717245  0.716279  1
  Cu  Cu182  1  0.838194  0.883080  0.679867  1
  Cu  Cu183  1  0.912962  0.468812  0.657052  1
  Cu  Cu184  1  0.088180  0.624716  0.657052  1
  Cu  Cu185  1  0.090351  0.964017  0.738724  1
  Cu  Cu186  1  0.910790  0.129512  0.738724  1
  Cu  Cu187  1  0.162948  0.210449  0.679867  1
  Cu  Cu188  1  0.164343  0.376283  0.716279  1
  Cu  Cu189  1  0.336799  0.217245  0.716279  1
  Cu  Cu190  1  0.338194  0.383080  0.679867  1
  Cu  Cu191  1  0.412962  0.968812  0.657052  1
  Cu  Cu192  1  0.588180  0.124716  0.657052  1
