# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.98299947
_cell_length_b   8.50099315
_cell_length_c   48.25668071
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.67366675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr112 Ni112'
_cell_volume   8174.26155872
_cell_formula_units_Z   112
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  0.707143  0.172438  0.282248  1
  Zr  Zr2  1  0.207143  0.672438  0.282248  1
  Zr  Zr3  1  0.193493  0.074890  0.312623  1
  Zr  Zr4  1  0.693493  0.574890  0.312623  1
  Zr  Zr5  1  0.807618  0.850568  0.303626  1
  Zr  Zr6  1  0.307618  0.350568  0.303626  1
  Zr  Zr7  1  0.324018  0.940039  0.274136  1
  Zr  Zr8  1  0.824018  0.440039  0.274136  1
  Zr  Zr9  1  0.449676  0.123768  0.297715  1
  Zr  Zr10  1  0.949676  0.623768  0.297715  1
  Zr  Zr11  1  0.935575  0.036396  0.329176  1
  Zr  Zr12  1  0.435575  0.536396  0.329176  1
  Zr  Zr13  1  0.552496  0.809953  0.319677  1
  Zr  Zr14  1  0.052496  0.309953  0.319677  1
  Zr  Zr15  1  0.062961  0.896847  0.288622  1
  Zr  Zr16  1  0.562961  0.396847  0.288622  1
  Zr  Zr17  1  0.679875  0.992963  0.345178  1
  Zr  Zr18  1  0.179875  0.492963  0.345178  1
  Zr  Zr19  1  0.166342  0.906365  0.379046  1
  Zr  Zr20  1  0.666342  0.406365  0.379046  1
  Zr  Zr21  1  0.782442  0.679419  0.369644  1
  Zr  Zr22  1  0.282442  0.179419  0.369644  1
  Zr  Zr23  1  0.296375  0.767337  0.336523  1
  Zr  Zr24  1  0.796375  0.267337  0.336523  1
  Zr  Zr25  1  0.423572  0.947867  0.361790  1
  Zr  Zr26  1  0.923572  0.447867  0.361790  1
  Zr  Zr27  1  0.910016  0.861770  0.395903  1
  Zr  Zr28  1  0.410016  0.361770  0.395903  1
  Zr  Zr29  1  0.525485  0.636233  0.386639  1
  Zr  Zr30  1  0.025485  0.136233  0.386639  1
  Zr  Zr31  1  0.039538  0.722768  0.352795  1
  Zr  Zr32  1  0.539538  0.222768  0.352795  1
  Zr  Zr33  1  0.653196  0.817962  0.412387  1
  Zr  Zr34  1  0.153196  0.317962  0.412387  1
  Zr  Zr35  1  0.139811  0.732221  0.446024  1
  Zr  Zr36  1  0.639811  0.232221  0.446024  1
  Zr  Zr37  1  0.755385  0.506554  0.436862  1
  Zr  Zr38  1  0.255385  0.006554  0.436862  1
  Zr  Zr39  1  0.268720  0.592275  0.403290  1
  Zr  Zr40  1  0.768720  0.092275  0.403290  1
  Zr  Zr41  1  0.396511  0.775580  0.429391  1
  Zr  Zr42  1  0.896511  0.275580  0.429391  1
  Zr  Zr43  1  0.883198  0.688613  0.462664  1
  Zr  Zr44  1  0.383198  0.188613  0.462664  1
  Zr  Zr45  1  0.498873  0.462760  0.453471  1
  Zr  Zr46  1  0.998873  0.962760  0.453471  1
  Zr  Zr47  1  0.012209  0.548824  0.419911  1
  Zr  Zr48  1  0.512209  0.048824  0.419911  1
  Zr  Zr49  1  0.626361  0.645576  0.479456  1
  Zr  Zr50  1  0.126361  0.145576  0.479456  1
  Zr  Zr51  1  0.113065  0.558343  0.512799  1
  Zr  Zr52  1  0.613065  0.058343  0.512799  1
  Zr  Zr53  1  0.728843  0.332563  0.503621  1
  Zr  Zr54  1  0.228843  0.832563  0.503621  1
  Zr  Zr55  1  0.242169  0.419081  0.470108  1
  Zr  Zr56  1  0.742169  0.919081  0.470108  1
  Zr  Zr57  1  0.369737  0.601884  0.496124  1
  Zr  Zr58  1  0.869737  0.101884  0.496124  1
  Zr  Zr59  1  0.856411  0.515366  0.529637  1
  Zr  Zr60  1  0.356411  0.015366  0.529637  1
  Zr  Zr61  1  0.472219  0.288871  0.520289  1
  Zr  Zr62  1  0.972219  0.788871  0.520289  1
  Zr  Zr63  1  0.985515  0.376105  0.486946  1
  Zr  Zr64  1  0.485515  0.876105  0.486946  1
  Zr  Zr65  1  0.599707  0.471688  0.546273  1
  Zr  Zr66  1  0.099707  0.971688  0.546273  1
  Zr  Zr67  1  0.086371  0.385623  0.579834  1
  Zr  Zr68  1  0.586371  0.885623  0.579834  1
  Zr  Zr69  1  0.702069  0.158867  0.570354  1
  Zr  Zr70  1  0.202069  0.658867  0.570354  1
  Zr  Zr71  1  0.215383  0.245834  0.537081  1
  Zr  Zr72  1  0.715383  0.745834  0.537081  1
  Zr  Zr73  1  0.343195  0.427893  0.562883  1
  Zr  Zr74  1  0.843195  0.927893  0.562883  1
  Zr  Zr75  1  0.829860  0.342172  0.596455  1
  Zr  Zr76  1  0.329860  0.842172  0.596455  1
  Zr  Zr77  1  0.445384  0.116485  0.587357  1
  Zr  Zr78  1  0.945384  0.616485  0.587357  1
  Zr  Zr79  1  0.958769  0.202226  0.553721  1
  Zr  Zr80  1  0.458769  0.702226  0.553721  1
  Zr  Zr81  1  0.573095  0.298214  0.613106  1
  Zr  Zr82  1  0.073095  0.798214  0.613106  1
  Zr  Zr83  1  0.059043  0.211679  0.646950  1
  Zr  Zr84  1  0.559043  0.711679  0.646950  1
  Zr  Zr85  1  0.675008  0.986580  0.637955  1
  Zr  Zr86  1  0.175008  0.486580  0.637955  1
  Zr  Zr87  1  0.188564  0.072677  0.603842  1
  Zr  Zr88  1  0.688564  0.572677  0.603842  1
  Zr  Zr89  1  0.316138  0.255029  0.630101  1
  Zr  Zr90  1  0.816138  0.755029  0.630101  1
  Zr  Zr91  1  0.802205  0.167110  0.663222  1
  Zr  Zr92  1  0.302205  0.667110  0.663222  1
  Zr  Zr93  1  0.418705  0.941484  0.654567  1
  Zr  Zr94  1  0.918705  0.441484  0.654567  1
  Zr  Zr95  1  0.932238  0.028082  0.620699  1
  Zr  Zr96  1  0.432238  0.528082  0.620699  1
  Zr  Zr97  1  0.546084  0.124494  0.680068  1
  Zr  Zr98  1  0.046084  0.624494  0.680068  1
  Zr  Zr99  1  0.035620  0.037600  0.711122  1
  Zr  Zr100  1  0.535620  0.537600  0.711122  1
  Zr  Zr101  1  0.648904  0.810679  0.702030  1
  Zr  Zr102  1  0.148904  0.310679  0.702030  1
  Zr  Zr103  1  0.163005  0.898051  0.670569  1
  Zr  Zr104  1  0.663005  0.398051  0.670569  1
  Zr  Zr105  1  0.290962  0.083879  0.696119  1
  Zr  Zr106  1  0.790962  0.583879  0.696119  1
  Zr  Zr107  1  0.774563  0.994408  0.725609  1
  Zr  Zr108  1  0.274563  0.494408  0.725609  1
  Zr  Zr109  1  0.391437  0.762009  0.717496  1
  Zr  Zr110  1  0.891437  0.262009  0.717496  1
  Zr  Zr111  1  0.905087  0.859558  0.687121  1
  Zr  Zr112  1  0.405087  0.359558  0.687121  1
  Ni  Ni113  1  0.842108  0.138111  0.288454  1
  Ni  Ni114  1  0.342108  0.638111  0.288454  1
  Ni  Ni115  1  0.331518  0.053885  0.322203  1
  Ni  Ni116  1  0.831518  0.553885  0.322203  1
  Ni  Ni117  1  0.671683  0.875103  0.293621  1
  Ni  Ni118  1  0.171683  0.375103  0.293621  1
  Ni  Ni119  1  0.156515  0.790783  0.327467  1
  Ni  Ni120  1  0.656515  0.290783  0.327467  1
  Ni  Ni121  1  0.587571  0.094586  0.304020  1
  Ni  Ni122  1  0.087571  0.594586  0.304020  1
  Ni  Ni123  1  0.102718  0.174562  0.273327  1
  Ni  Ni124  1  0.602718  0.674562  0.273327  1
  Ni  Ni125  1  0.415772  0.830650  0.309537  1
  Ni  Ni126  1  0.915772  0.330650  0.309537  1
  Ni  Ni127  1  0.926660  0.915311  0.277711  1
  Ni  Ni128  1  0.426660  0.415311  0.277711  1
  Ni  Ni129  1  0.817396  0.968368  0.355023  1
  Ni  Ni130  1  0.317396  0.468368  0.355023  1
  Ni  Ni131  1  0.303906  0.881178  0.389085  1
  Ni  Ni132  1  0.803906  0.381178  0.389085  1
  Ni  Ni133  1  0.644814  0.705273  0.359902  1
  Ni  Ni134  1  0.144814  0.205273  0.359902  1
  Ni  Ni135  1  0.131357  0.616815  0.394094  1
  Ni  Ni136  1  0.631357  0.116815  0.394094  1
  Ni  Ni137  1  0.560745  0.923987  0.371717  1
  Ni  Ni138  1  0.060745  0.423987  0.371717  1
  Ni  Ni139  1  0.073719  0.016301  0.337777  1
  Ni  Ni140  1  0.573719  0.516301  0.337777  1
  Ni  Ni141  1  0.388118  0.660425  0.377609  1
  Ni  Ni142  1  0.888118  0.160425  0.377609  1
  Ni  Ni143  1  0.901465  0.750468  0.343305  1
  Ni  Ni144  1  0.401465  0.250468  0.343305  1
  Ni  Ni145  1  0.790795  0.793792  0.421916  1
  Ni  Ni146  1  0.290795  0.293792  0.421916  1
  Ni  Ni147  1  0.277376  0.707769  0.455356  1
  Ni  Ni148  1  0.777376  0.207769  0.455356  1
  Ni  Ni149  1  0.617924  0.530374  0.427351  1
  Ni  Ni150  1  0.117924  0.030374  0.427351  1
  Ni  Ni151  1  0.104692  0.443805  0.460580  1
  Ni  Ni152  1  0.604692  0.943805  0.460580  1
  Ni  Ni153  1  0.534055  0.750978  0.438701  1
  Ni  Ni154  1  0.034055  0.250978  0.438701  1
  Ni  Ni155  1  0.047396  0.837144  0.405403  1
  Ni  Ni156  1  0.547396  0.337144  0.405403  1
  Ni  Ni157  1  0.361242  0.487123  0.443949  1
  Ni  Ni158  1  0.861242  0.987123  0.443949  1
  Ni  Ni159  1  0.874840  0.573403  0.410586  1
  Ni  Ni160  1  0.374840  0.073403  0.410586  1
  Ni  Ni161  1  0.763972  0.620923  0.488912  1
  Ni  Ni162  1  0.263972  0.120923  0.488912  1
  Ni  Ni163  1  0.250662  0.533837  0.522257  1
  Ni  Ni164  1  0.750662  0.033837  0.522257  1
  Ni  Ni165  1  0.591256  0.356980  0.494158  1
  Ni  Ni166  1  0.091256  0.856980  0.494158  1
  Ni  Ni167  1  0.077841  0.270373  0.527711  1
  Ni  Ni168  1  0.577841  0.770373  0.527711  1
  Ni  Ni169  1  0.507324  0.577467  0.505587  1
  Ni  Ni170  1  0.007324  0.077467  0.505587  1
  Ni  Ni171  1  0.020740  0.664074  0.472034  1
  Ni  Ni172  1  0.520740  0.164074  0.472034  1
  Ni  Ni173  1  0.334608  0.313524  0.510833  1
  Ni  Ni174  1  0.834608  0.813524  0.510833  1
  Ni  Ni175  1  0.847918  0.400610  0.477488  1
  Ni  Ni176  1  0.347918  0.900610  0.477488  1
  Ni  Ni177  1  0.737338  0.447324  0.555796  1
  Ni  Ni178  1  0.237338  0.947324  0.555796  1
  Ni  Ni179  1  0.223740  0.361044  0.589159  1
  Ni  Ni180  1  0.723740  0.861044  0.589159  1
  Ni  Ni181  1  0.564525  0.183469  0.561044  1
  Ni  Ni182  1  0.064525  0.683469  0.561044  1
  Ni  Ni183  1  0.051184  0.097303  0.594342  1
  Ni  Ni184  1  0.551184  0.597303  0.594342  1
  Ni  Ni185  1  0.480656  0.404073  0.572394  1
  Ni  Ni186  1  0.980656  0.904073  0.572394  1
  Ni  Ni187  1  0.993889  0.490642  0.539165  1
  Ni  Ni188  1  0.493889  0.990642  0.539165  1
  Ni  Ni189  1  0.307785  0.140655  0.577828  1
  Ni  Ni190  1  0.807785  0.640655  0.577828  1
  Ni  Ni191  1  0.821205  0.226678  0.544389  1
  Ni  Ni192  1  0.321205  0.726678  0.544389  1
  Ni  Ni193  1  0.710462  0.274022  0.622136  1
  Ni  Ni194  1  0.210462  0.774022  0.622136  1
  Ni  Ni195  1  0.197115  0.183979  0.656440  1
  Ni  Ni196  1  0.697115  0.683979  0.656440  1
  Ni  Ni197  1  0.537835  0.010461  0.628028  1
  Ni  Ni198  1  0.037835  0.510461  0.628028  1
  Ni  Ni199  1  0.024861  0.918146  0.661968  1
  Ni  Ni200  1  0.524861  0.418146  0.661968  1
  Ni  Ni201  1  0.453766  0.229174  0.639843  1
  Ni  Ni202  1  0.953766  0.729174  0.639843  1
  Ni  Ni203  1  0.967223  0.317632  0.605651  1
  Ni  Ni204  1  0.467223  0.817632  0.605651  1
  Ni  Ni205  1  0.281185  0.966079  0.644721  1
  Ni  Ni206  1  0.781185  0.466079  0.644721  1
  Ni  Ni207  1  0.794674  0.053270  0.610660  1
  Ni  Ni208  1  0.294674  0.553270  0.610660  1
  Ni  Ni209  1  0.682808  0.103797  0.690208  1
  Ni  Ni210  1  0.182808  0.603797  0.690208  1
  Ni  Ni211  1  0.171920  0.019136  0.722034  1
  Ni  Ni212  1  0.671920  0.519136  0.722034  1
  Ni  Ni213  1  0.511009  0.839862  0.695724  1
  Ni  Ni214  1  0.011009  0.339862  0.695724  1
  Ni  Ni215  1  0.995862  0.759885  0.726418  1
  Ni  Ni216  1  0.495862  0.259885  0.726418  1
  Ni  Ni217  1  0.426897  0.059344  0.706124  1
  Ni  Ni218  1  0.926897  0.559344  0.706124  1
  Ni  Ni219  1  0.942065  0.143665  0.672278  1
  Ni  Ni220  1  0.442065  0.643665  0.672278  1
  Ni  Ni221  1  0.256472  0.796337  0.711291  1
  Ni  Ni222  1  0.756472  0.296337  0.711291  1
  Ni  Ni223  1  0.767062  0.880562  0.677542  1
  Ni  Ni224  1  0.267062  0.380562  0.677542  1
