# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.39798636
_cell_length_b   12.46962865
_cell_length_c   45.99277060
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.60740078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr128 Ni64'
_cell_volume   8032.87490009
_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  0.416440  0.765963  0.358897  1
  Zr  Zr2  1  0.916440  0.265963  0.358897  1
  Zr  Zr3  1  0.992189  0.875310  0.302698  1
  Zr  Zr4  1  0.492189  0.375310  0.302698  1
  Zr  Zr5  1  0.096311  0.033826  0.349884  1
  Zr  Zr6  1  0.596311  0.533826  0.349884  1
  Zr  Zr7  1  0.679499  0.143523  0.296115  1
  Zr  Zr8  1  0.179499  0.643523  0.296115  1
  Zr  Zr9  1  0.229872  0.860257  0.313692  1
  Zr  Zr10  1  0.729872  0.360257  0.313692  1
  Zr  Zr11  1  0.652664  0.745465  0.368000  1
  Zr  Zr12  1  0.152664  0.245465  0.368000  1
  Zr  Zr13  1  0.333671  0.014491  0.359161  1
  Zr  Zr14  1  0.833671  0.514491  0.359161  1
  Zr  Zr15  1  0.910810  0.131281  0.303435  1
  Zr  Zr16  1  0.410810  0.631281  0.303435  1
  Zr  Zr17  1  0.242189  0.125310  0.302698  1
  Zr  Zr18  1  0.742189  0.625310  0.302698  1
  Zr  Zr19  1  0.666440  0.015963  0.358897  1
  Zr  Zr20  1  0.166440  0.515963  0.358897  1
  Zr  Zr21  1  0.429499  0.893523  0.296115  1
  Zr  Zr22  1  0.929499  0.393523  0.296115  1
  Zr  Zr23  1  0.846311  0.783826  0.349884  1
  Zr  Zr24  1  0.346311  0.283826  0.349884  1
  Zr  Zr25  1  0.479872  0.110257  0.313692  1
  Zr  Zr26  1  0.979872  0.610257  0.313692  1
  Zr  Zr27  1  0.902664  0.995465  0.368000  1
  Zr  Zr28  1  0.402664  0.495465  0.368000  1
  Zr  Zr29  1  0.083671  0.764491  0.359161  1
  Zr  Zr30  1  0.583671  0.264491  0.359161  1
  Zr  Zr31  1  0.660810  0.881281  0.303435  1
  Zr  Zr32  1  0.160810  0.381281  0.303435  1
  Zr  Zr33  1  0.261339  0.538237  0.470217  1
  Zr  Zr34  1  0.761339  0.038237  0.470217  1
  Zr  Zr35  1  0.838335  0.651822  0.414694  1
  Zr  Zr36  1  0.338335  0.151822  0.414694  1
  Zr  Zr37  1  0.942588  0.806699  0.461301  1
  Zr  Zr38  1  0.442588  0.306699  0.461301  1
  Zr  Zr39  1  0.520367  0.920042  0.405484  1
  Zr  Zr40  1  0.020367  0.420042  0.405484  1
  Zr  Zr41  1  0.075502  0.632424  0.424172  1
  Zr  Zr42  1  0.575502  0.132424  0.424172  1
  Zr  Zr43  1  0.497887  0.518781  0.479799  1
  Zr  Zr44  1  0.997887  0.018781  0.479799  1
  Zr  Zr45  1  0.179557  0.787055  0.470766  1
  Zr  Zr46  1  0.679557  0.287055  0.470766  1
  Zr  Zr47  1  0.756861  0.900598  0.415050  1
  Zr  Zr48  1  0.256861  0.400598  0.415050  1
  Zr  Zr49  1  0.088335  0.901822  0.414694  1
  Zr  Zr50  1  0.588335  0.401822  0.414694  1
  Zr  Zr51  1  0.511339  0.788237  0.470217  1
  Zr  Zr52  1  0.011339  0.288237  0.470217  1
  Zr  Zr53  1  0.270367  0.670042  0.405484  1
  Zr  Zr54  1  0.770367  0.170042  0.405484  1
  Zr  Zr55  1  0.692588  0.556699  0.461301  1
  Zr  Zr56  1  0.192588  0.056699  0.461301  1
  Zr  Zr57  1  0.325502  0.882424  0.424172  1
  Zr  Zr58  1  0.825502  0.382424  0.424172  1
  Zr  Zr59  1  0.747887  0.768781  0.479799  1
  Zr  Zr60  1  0.247887  0.268781  0.479799  1
  Zr  Zr61  1  0.929557  0.537055  0.470766  1
  Zr  Zr62  1  0.429557  0.037055  0.470766  1
  Zr  Zr63  1  0.506861  0.650598  0.415050  1
  Zr  Zr64  1  0.006861  0.150598  0.415050  1
  Zr  Zr65  1  0.106491  0.311270  0.581621  1
  Zr  Zr66  1  0.606491  0.811270  0.581621  1
  Zr  Zr67  1  0.683795  0.424813  0.525905  1
  Zr  Zr68  1  0.183795  0.924813  0.525905  1
  Zr  Zr69  1  0.787850  0.579445  0.572499  1
  Zr  Zr70  1  0.287850  0.079445  0.572499  1
  Zr  Zr71  1  0.365465  0.693087  0.516872  1
  Zr  Zr72  1  0.865465  0.193087  0.516872  1
  Zr  Zr73  1  0.920764  0.405170  0.535370  1
  Zr  Zr74  1  0.420764  0.905170  0.535370  1
  Zr  Zr75  1  0.342985  0.291827  0.591187  1
  Zr  Zr76  1  0.842985  0.791827  0.591187  1
  Zr  Zr77  1  0.025018  0.560046  0.581977  1
  Zr  Zr78  1  0.525018  0.060046  0.581977  1
  Zr  Zr79  1  0.602013  0.673631  0.526454  1
  Zr  Zr80  1  0.102013  0.173631  0.526454  1
  Zr  Zr81  1  0.933795  0.674813  0.525905  1
  Zr  Zr82  1  0.433795  0.174813  0.525905  1
  Zr  Zr83  1  0.356491  0.561270  0.581621  1
  Zr  Zr84  1  0.856491  0.061270  0.581621  1
  Zr  Zr85  1  0.115465  0.443087  0.516872  1
  Zr  Zr86  1  0.615465  0.943087  0.516872  1
  Zr  Zr87  1  0.537850  0.329445  0.572499  1
  Zr  Zr88  1  0.037850  0.829445  0.572499  1
  Zr  Zr89  1  0.170764  0.655170  0.535370  1
  Zr  Zr90  1  0.670764  0.155170  0.535370  1
  Zr  Zr91  1  0.592985  0.541827  0.591187  1
  Zr  Zr92  1  0.092985  0.041827  0.591187  1
  Zr  Zr93  1  0.775018  0.310046  0.581977  1
  Zr  Zr94  1  0.275018  0.810046  0.581977  1
  Zr  Zr95  1  0.352013  0.423631  0.526454  1
  Zr  Zr96  1  0.852013  0.923631  0.526454  1
  Zr  Zr97  1  0.952543  0.080587  0.693236  1
  Zr  Zr98  1  0.452543  0.580587  0.693236  1
  Zr  Zr99  1  0.529681  0.197378  0.637510  1
  Zr  Zr100  1  0.029681  0.697378  0.637510  1
  Zr  Zr101  1  0.633480  0.351611  0.682979  1
  Zr  Zr102  1  0.133480  0.851611  0.682979  1
  Zr  Zr103  1  0.210688  0.466403  0.628671  1
  Zr  Zr104  1  0.710688  0.966403  0.628671  1
  Zr  Zr105  1  0.767041  0.178043  0.646787  1
  Zr  Zr106  1  0.267041  0.678043  0.646787  1
  Zr  Zr107  1  0.183853  0.068345  0.700556  1
  Zr  Zr108  1  0.683853  0.568345  0.700556  1
  Zr  Zr109  1  0.871163  0.336558  0.693973  1
  Zr  Zr110  1  0.371163  0.836558  0.693973  1
  Zr  Zr111  1  0.446912  0.445905  0.637774  1
  Zr  Zr112  1  0.946912  0.945905  0.637774  1
  Zr  Zr113  1  0.779681  0.447378  0.637510  1
  Zr  Zr114  1  0.279681  0.947378  0.637510  1
  Zr  Zr115  1  0.202543  0.330587  0.693236  1
  Zr  Zr116  1  0.702543  0.830587  0.693236  1
  Zr  Zr117  1  0.960688  0.216403  0.628671  1
  Zr  Zr118  1  0.460688  0.716403  0.628671  1
  Zr  Zr119  1  0.383480  0.101611  0.682979  1
  Zr  Zr120  1  0.883480  0.601611  0.682979  1
  Zr  Zr121  1  0.017041  0.428043  0.646787  1
  Zr  Zr122  1  0.517041  0.928043  0.646787  1
  Zr  Zr123  1  0.433853  0.318345  0.700556  1
  Zr  Zr124  1  0.933853  0.818345  0.700556  1
  Zr  Zr125  1  0.621163  0.086558  0.693973  1
  Zr  Zr126  1  0.121163  0.586558  0.693973  1
  Zr  Zr127  1  0.196912  0.195905  0.637774  1
  Zr  Zr128  1  0.696912  0.695905  0.637774  1
  Ni  Ni129  1  0.059322  0.225725  0.317290  1
  Ni  Ni130  1  0.559322  0.725725  0.317290  1
  Ni  Ni131  1  0.480546  0.111738  0.373545  1
  Ni  Ni132  1  0.980546  0.611738  0.373545  1
  Ni  Ni133  1  0.093122  0.033778  0.291766  1
  Ni  Ni134  1  0.593122  0.533778  0.291766  1
  Ni  Ni135  1  0.520620  0.919035  0.345115  1
  Ni  Ni136  1  0.020620  0.419035  0.345115  1
  Ni  Ni137  1  0.230546  0.861738  0.373545  1
  Ni  Ni138  1  0.730546  0.361738  0.373545  1
  Ni  Ni139  1  0.809322  0.975725  0.317290  1
  Ni  Ni140  1  0.309322  0.475725  0.317290  1
  Ni  Ni141  1  0.343122  0.283778  0.291766  1
  Ni  Ni142  1  0.843122  0.783778  0.291766  1
  Ni  Ni143  1  0.770620  0.169035  0.345115  1
  Ni  Ni144  1  0.270620  0.669035  0.345115  1
  Ni  Ni145  1  0.903299  0.997952  0.428618  1
  Ni  Ni146  1  0.403299  0.497952  0.428618  1
  Ni  Ni147  1  0.326017  0.884303  0.484415  1
  Ni  Ni148  1  0.826017  0.384303  0.484415  1
  Ni  Ni149  1  0.941982  0.804714  0.401145  1
  Ni  Ni150  1  0.441982  0.304714  0.401145  1
  Ni  Ni151  1  0.364741  0.691089  0.456529  1
  Ni  Ni152  1  0.864741  0.191089  0.456529  1
  Ni  Ni153  1  0.076017  0.634303  0.484415  1
  Ni  Ni154  1  0.576017  0.134303  0.484415  1
  Ni  Ni155  1  0.653299  0.747952  0.428618  1
  Ni  Ni156  1  0.153299  0.247952  0.428618  1
  Ni  Ni157  1  0.191982  0.054714  0.401145  1
  Ni  Ni158  1  0.691982  0.554714  0.401145  1
  Ni  Ni159  1  0.614741  0.941089  0.456529  1
  Ni  Ni160  1  0.114741  0.441089  0.456529  1
  Ni  Ni161  1  0.748612  0.770779  0.540142  1
  Ni  Ni162  1  0.248612  0.270779  0.540142  1
  Ni  Ni163  1  0.171370  0.657154  0.595526  1
  Ni  Ni164  1  0.671370  0.157154  0.595526  1
  Ni  Ni165  1  0.787335  0.577565  0.512257  1
  Ni  Ni166  1  0.287335  0.077565  0.512257  1
  Ni  Ni167  1  0.210053  0.463916  0.568053  1
  Ni  Ni168  1  0.710053  0.963916  0.568053  1
  Ni  Ni169  1  0.921370  0.407154  0.595526  1
  Ni  Ni170  1  0.421370  0.907154  0.595526  1
  Ni  Ni171  1  0.498612  0.520779  0.540142  1
  Ni  Ni172  1  0.998612  0.020779  0.540142  1
  Ni  Ni173  1  0.037335  0.827565  0.512257  1
  Ni  Ni174  1  0.537335  0.327565  0.512257  1
  Ni  Ni175  1  0.460053  0.713916  0.568053  1
  Ni  Ni176  1  0.960053  0.213916  0.568053  1
  Ni  Ni177  1  0.592732  0.542833  0.651556  1
  Ni  Ni178  1  0.092732  0.042833  0.651556  1
  Ni  Ni179  1  0.020231  0.428090  0.704905  1
  Ni  Ni180  1  0.520231  0.928090  0.704905  1
  Ni  Ni181  1  0.632806  0.350130  0.623127  1
  Ni  Ni182  1  0.132806  0.850130  0.623127  1
  Ni  Ni183  1  0.054030  0.236144  0.679381  1
  Ni  Ni184  1  0.554030  0.736144  0.679381  1
  Ni  Ni185  1  0.770231  0.178090  0.704905  1
  Ni  Ni186  1  0.270231  0.678090  0.704905  1
  Ni  Ni187  1  0.342732  0.292833  0.651556  1
  Ni  Ni188  1  0.842732  0.792833  0.651556  1
  Ni  Ni189  1  0.882806  0.600130  0.623127  1
  Ni  Ni190  1  0.382806  0.100130  0.623127  1
  Ni  Ni191  1  0.304030  0.486144  0.679381  1
  Ni  Ni192  1  0.804030  0.986144  0.679381  1
