# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13863114
_cell_length_b   11.31605331
_cell_length_c   47.27695784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.88171876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr84 Cu42'
_cell_volume   5402.42424083
_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  0.736726  0.035458  0.284949  1
  Zr  Zr2  1  0.047994  0.009885  0.301235  1
  Zr  Zr3  1  0.355382  0.979857  0.320859  1
  Zr  Zr4  1  0.571980  0.803721  0.291859  1
  Zr  Zr5  1  0.870096  0.798060  0.310394  1
  Zr  Zr6  1  0.174651  0.774008  0.332662  1
  Zr  Zr7  1  0.503589  0.474879  0.330167  1
  Zr  Zr8  1  0.892121  0.528031  0.292833  1
  Zr  Zr9  1  0.196749  0.491817  0.311305  1
  Zr  Zr10  1  0.720657  0.302512  0.300915  1
  Zr  Zr11  1  0.020248  0.280105  0.319393  1
  Zr  Zr12  1  0.326464  0.262814  0.342419  1
  Zr  Zr13  1  0.651949  0.963334  0.343866  1
  Zr  Zr14  1  0.960583  0.937575  0.365021  1
  Zr  Zr15  1  0.258904  0.915477  0.386154  1
  Zr  Zr16  1  0.476339  0.746669  0.352675  1
  Zr  Zr17  1  0.781291  0.720639  0.372730  1
  Zr  Zr18  1  0.083175  0.694078  0.393701  1
  Zr  Zr19  1  0.411826  0.401934  0.395647  1
  Zr  Zr20  1  0.811359  0.445110  0.354571  1
  Zr  Zr21  1  0.108838  0.426866  0.375046  1
  Zr  Zr22  1  0.627716  0.232084  0.361605  1
  Zr  Zr23  1  0.935299  0.207953  0.383241  1
  Zr  Zr24  1  0.231343  0.183321  0.404091  1
  Zr  Zr25  1  0.561559  0.889855  0.406644  1
  Zr  Zr26  1  0.862923  0.860998  0.427326  1
  Zr  Zr27  1  0.166661  0.836311  0.448585  1
  Zr  Zr28  1  0.383222  0.670494  0.413814  1
  Zr  Zr29  1  0.682418  0.646193  0.434584  1
  Zr  Zr30  1  0.987262  0.622020  0.456624  1
  Zr  Zr31  1  0.318117  0.323546  0.458899  1
  Zr  Zr32  1  0.711547  0.374664  0.416659  1
  Zr  Zr33  1  0.015608  0.349129  0.438004  1
  Zr  Zr34  1  0.533577  0.158827  0.424203  1
  Zr  Zr35  1  0.834347  0.135785  0.445962  1
  Zr  Zr36  1  0.138188  0.109975  0.467276  1
  Zr  Zr37  1  0.469030  0.812452  0.469379  1
  Zr  Zr38  1  0.769457  0.788012  0.489786  1
  Zr  Zr39  1  0.071476  0.764829  0.511027  1
  Zr  Zr40  1  0.290017  0.598058  0.477530  1
  Zr  Zr41  1  0.592451  0.571527  0.498099  1
  Zr  Zr42  1  0.894600  0.548532  0.518932  1
  Zr  Zr43  1  0.223559  0.250671  0.521456  1
  Zr  Zr44  1  0.618763  0.301095  0.479710  1
  Zr  Zr45  1  0.921059  0.277128  0.500494  1
  Zr  Zr46  1  0.442220  0.084738  0.488061  1
  Zr  Zr47  1  0.743610  0.061570  0.508806  1
  Zr  Zr48  1  0.044178  0.036080  0.529450  1
  Zr  Zr49  1  0.376530  0.739051  0.531849  1
  Zr  Zr50  1  0.678267  0.712727  0.552758  1
  Zr  Zr51  1  0.978127  0.691265  0.574589  1
  Zr  Zr52  1  0.195219  0.525478  0.540003  1
  Zr  Zr53  1  0.498988  0.498241  0.560917  1
  Zr  Zr54  1  0.800908  0.473257  0.582035  1
  Zr  Zr55  1  0.130241  0.178314  0.584626  1
  Zr  Zr56  1  0.527110  0.227084  0.542529  1
  Zr  Zr57  1  0.829496  0.202821  0.564267  1
  Zr  Zr58  1  0.347444  0.012030  0.550509  1
  Zr  Zr59  1  0.649748  0.988699  0.571756  1
  Zr  Zr60  1  0.951144  0.958212  0.591913  1
  Zr  Zr61  1  0.282401  0.665766  0.594522  1
  Zr  Zr62  1  0.578065  0.639588  0.615463  1
  Zr  Zr63  1  0.886554  0.618372  0.636637  1
  Zr  Zr64  1  0.102350  0.447186  0.602701  1
  Zr  Zr65  1  0.402420  0.423397  0.623773  1
  Zr  Zr66  1  0.705957  0.402800  0.644235  1
  Zr  Zr67  1  0.038309  0.099526  0.645311  1
  Zr  Zr68  1  0.428074  0.153100  0.605445  1
  Zr  Zr69  1  0.735438  0.127955  0.626787  1
  Zr  Zr70  1  0.256280  0.934582  0.613327  1
  Zr  Zr71  1  0.550486  0.914655  0.634899  1
  Zr  Zr72  1  0.860975  0.884406  0.654613  1
  Zr  Zr73  1  0.187731  0.586765  0.656314  1
  Zr  Zr74  1  0.492936  0.564322  0.679366  1
  Zr  Zr75  1  0.793780  0.548210  0.697569  1
  Zr  Zr76  1  0.010978  0.379721  0.667446  1
  Zr  Zr77  1  0.317768  0.351454  0.687452  1
  Zr  Zr78  1  0.626806  0.321375  0.704291  1
  Zr  Zr79  1  0.939870  0.036392  0.707100  1
  Zr  Zr80  1  0.338480  0.080104  0.669638  1
  Zr  Zr81  1  0.642228  0.055450  0.688280  1
  Zr  Zr82  1  0.161251  0.868783  0.677985  1
  Zr  Zr83  1  0.466459  0.831511  0.697251  1
  Zr  Zr84  1  0.772526  0.813585  0.713491  1
  Cu  Cu85  1  0.517504  0.153501  0.310126  1
  Cu  Cu86  1  0.842718  0.119114  0.333737  1
  Cu  Cu87  1  0.241407  0.173000  0.296029  1
  Cu  Cu88  1  0.690047  0.628777  0.324179  1
  Cu  Cu89  1  0.087392  0.685997  0.286385  1
  Cu  Cu90  1  0.365216  0.666764  0.302779  1
  Cu  Cu91  1  0.439090  0.073547  0.372231  1
  Cu  Cu92  1  0.750275  0.048760  0.394543  1
  Cu  Cu93  1  0.148764  0.097584  0.350496  1
  Cu  Cu94  1  0.596600  0.558960  0.381960  1
  Cu  Cu95  1  0.992805  0.612329  0.341027  1
  Cu  Cu96  1  0.295528  0.582825  0.360899  1
  Cu  Cu97  1  0.349570  0.998881  0.437646  1
  Cu  Cu98  1  0.652302  0.974419  0.457741  1
  Cu  Cu99  1  0.045615  0.022315  0.417349  1
  Cu  Cu100  1  0.498914  0.485758  0.447299  1
  Cu  Cu101  1  0.897135  0.534523  0.406058  1
  Cu  Cu102  1  0.200220  0.509574  0.427266  1
  Cu  Cu103  1  0.257398  0.924361  0.499540  1
  Cu  Cu104  1  0.561530  0.899704  0.520911  1
  Cu  Cu105  1  0.952828  0.949652  0.477853  1
  Cu  Cu106  1  0.405905  0.411903  0.510069  1
  Cu  Cu107  1  0.802600  0.462042  0.467299  1
  Cu  Cu108  1  0.107690  0.436468  0.488999  1
  Cu  Cu109  1  0.164930  0.850168  0.561563  1
  Cu  Cu110  1  0.469618  0.827276  0.582443  1
  Cu  Cu111  1  0.858204  0.875128  0.540703  1
  Cu  Cu112  1  0.314326  0.338945  0.571601  1
  Cu  Cu113  1  0.712034  0.387248  0.530971  1
  Cu  Cu114  1  0.012796  0.363131  0.551212  1
  Cu  Cu115  1  0.076861  0.776587  0.626478  1
  Cu  Cu116  1  0.366794  0.748877  0.648023  1
  Cu  Cu117  1  0.757369  0.801069  0.604358  1
  Cu  Cu118  1  0.217645  0.264206  0.637840  1
  Cu  Cu119  1  0.614198  0.312080  0.594080  1
  Cu  Cu120  1  0.919327  0.289404  0.616378  1
  Cu  Cu121  1  0.995789  0.698436  0.688500  1
  Cu  Cu122  1  0.271354  0.672958  0.702951  1
  Cu  Cu123  1  0.669428  0.728203  0.664327  1
  Cu  Cu124  1  0.120689  0.187629  0.693866  1
  Cu  Cu125  1  0.521298  0.239655  0.655148  1
  Cu  Cu126  1  0.838333  0.219348  0.675814  1
