# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.53832673
_cell_length_b   15.90612122
_cell_length_c   46.30095735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.66699005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr120 Ni120'
_cell_volume   9084.82935448
_cell_formula_units_Z   120
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  0.803789  0.278319  0.290984  1
  Zr  Zr2  1  0.803154  0.945883  0.291097  1
  Zr  Zr3  1  0.814771  0.611221  0.291141  1
  Zr  Zr4  1  0.952527  0.391094  0.315533  1
  Zr  Zr5  1  0.951357  0.059206  0.315289  1
  Zr  Zr6  1  0.949570  0.727880  0.316286  1
  Zr  Zr7  1  0.315173  0.277879  0.291038  1
  Zr  Zr8  1  0.315810  0.943569  0.290928  1
  Zr  Zr9  1  0.304165  0.611544  0.290882  1
  Zr  Zr10  1  0.449547  0.393909  0.316299  1
  Zr  Zr11  1  0.450733  0.058988  0.316591  1
  Zr  Zr12  1  0.452554  0.723764  0.315546  1
  Zr  Zr13  1  0.694897  0.182170  0.331058  1
  Zr  Zr14  1  0.693584  0.850179  0.331425  1
  Zr  Zr15  1  0.695912  0.515673  0.330911  1
  Zr  Zr16  1  0.831334  0.303653  0.360260  1
  Zr  Zr17  1  0.832646  0.969689  0.360392  1
  Zr  Zr18  1  0.830929  0.637012  0.360814  1
  Zr  Zr19  1  0.195122  0.184149  0.331110  1
  Zr  Zr20  1  0.196433  0.849470  0.330730  1
  Zr  Zr21  1  0.194074  0.517390  0.331263  1
  Zr  Zr22  1  0.330786  0.303512  0.360923  1
  Zr  Zr23  1  0.329507  0.970731  0.360767  1
  Zr  Zr24  1  0.331239  0.636847  0.360370  1
  Zr  Zr25  1  0.561232  0.120560  0.375211  1
  Zr  Zr26  1  0.561737  0.786513  0.375027  1
  Zr  Zr27  1  0.560973  0.454488  0.374640  1
  Zr  Zr28  1  0.700105  0.233496  0.403891  1
  Zr  Zr29  1  0.699162  0.900769  0.404212  1
  Zr  Zr30  1  0.699965  0.566459  0.403929  1
  Zr  Zr31  1  0.061495  0.121254  0.374325  1
  Zr  Zr32  1  0.061277  0.788468  0.374523  1
  Zr  Zr33  1  0.062001  0.453849  0.374905  1
  Zr  Zr34  1  0.198944  0.233794  0.404298  1
  Zr  Zr35  1  0.200056  0.899816  0.403968  1
  Zr  Zr36  1  0.199200  0.567420  0.404269  1
  Zr  Zr37  1  0.440262  0.036922  0.418993  1
  Zr  Zr38  1  0.440479  0.703518  0.418467  1
  Zr  Zr39  1  0.441210  0.370015  0.418834  1
  Zr  Zr40  1  0.579271  0.154607  0.448555  1
  Zr  Zr41  1  0.578461  0.821263  0.448531  1
  Zr  Zr42  1  0.578592  0.488229  0.448495  1
  Zr  Zr43  1  0.941325  0.036691  0.418310  1
  Zr  Zr44  1  0.941097  0.703532  0.418795  1
  Zr  Zr45  1  0.940317  0.370304  0.418441  1
  Zr  Zr46  1  0.077790  0.154799  0.448478  1
  Zr  Zr47  1  0.078618  0.821489  0.448510  1
  Zr  Zr48  1  0.078432  0.487884  0.448537  1
  Zr  Zr49  1  0.311982  0.967554  0.462449  1
  Zr  Zr50  1  0.312028  0.634624  0.462468  1
  Zr  Zr51  1  0.311712  0.301187  0.462598  1
  Zr  Zr52  1  0.450274  0.084014  0.492163  1
  Zr  Zr53  1  0.450783  0.750247  0.492227  1
  Zr  Zr54  1  0.451191  0.416896  0.492125  1
  Zr  Zr55  1  0.812231  0.968159  0.462480  1
  Zr  Zr56  1  0.812210  0.634408  0.462483  1
  Zr  Zr57  1  0.812474  0.301202  0.462356  1
  Zr  Zr58  1  0.951066  0.083585  0.492298  1
  Zr  Zr59  1  0.950546  0.750704  0.492213  1
  Zr  Zr60  1  0.950160  0.417368  0.492334  1
  Zr  Zr61  1  0.189911  0.889701  0.506239  1
  Zr  Zr62  1  0.190420  0.555934  0.506303  1
  Zr  Zr63  1  0.189503  0.223051  0.506341  1
  Zr  Zr64  1  0.328666  0.005324  0.535998  1
  Zr  Zr65  1  0.328712  0.672393  0.536018  1
  Zr  Zr66  1  0.328982  0.338761  0.535868  1
  Zr  Zr67  1  0.690148  0.889244  0.506254  1
  Zr  Zr68  1  0.689628  0.556362  0.506169  1
  Zr  Zr69  1  0.690534  0.222579  0.506132  1
  Zr  Zr70  1  0.828485  0.005540  0.535984  1
  Zr  Zr71  1  0.828463  0.671789  0.535987  1
  Zr  Zr72  1  0.828220  0.338745  0.536111  1
  Zr  Zr73  1  0.062233  0.818685  0.549935  1
  Zr  Zr74  1  0.061424  0.485341  0.549911  1
  Zr  Zr75  1  0.062102  0.151718  0.549971  1
  Zr  Zr76  1  0.200216  0.936429  0.580000  1
  Zr  Zr77  1  0.200432  0.603026  0.579474  1
  Zr  Zr78  1  0.199484  0.269933  0.579633  1
  Zr  Zr79  1  0.562076  0.818459  0.549956  1
  Zr  Zr80  1  0.562904  0.485149  0.549988  1
  Zr  Zr81  1  0.562263  0.152063  0.549930  1
  Zr  Zr82  1  0.699597  0.936415  0.579671  1
  Zr  Zr83  1  0.699369  0.603256  0.580156  1
  Zr  Zr84  1  0.700377  0.269644  0.580025  1
  Zr  Zr85  1  0.941533  0.739178  0.594254  1
  Zr  Zr86  1  0.940589  0.406452  0.594576  1
  Zr  Zr87  1  0.940730  0.073488  0.594538  1
  Zr  Zr88  1  0.078958  0.853435  0.623440  1
  Zr  Zr89  1  0.079462  0.519387  0.623256  1
  Zr  Zr90  1  0.079721  0.185460  0.623827  1
  Zr  Zr91  1  0.440638  0.740132  0.594498  1
  Zr  Zr92  1  0.441750  0.406154  0.594169  1
  Zr  Zr93  1  0.441494  0.072527  0.594198  1
  Zr  Zr94  1  0.579417  0.851480  0.623944  1
  Zr  Zr95  1  0.579199  0.518694  0.624141  1
  Zr  Zr96  1  0.578693  0.186098  0.623562  1
  Zr  Zr97  1  0.808048  0.670259  0.638075  1
  Zr  Zr98  1  0.809360  0.336294  0.638206  1
  Zr  Zr99  1  0.809766  0.002936  0.637653  1
  Zr  Zr100  1  0.947110  0.789769  0.667042  1
  Zr  Zr101  1  0.945798  0.457778  0.667408  1
  Zr  Zr102  1  0.944783  0.124275  0.667555  1
  Zr  Zr103  1  0.311188  0.669217  0.637700  1
  Zr  Zr104  1  0.309908  0.336435  0.637543  1
  Zr  Zr105  1  0.309455  0.003101  0.638097  1
  Zr  Zr106  1  0.444261  0.790478  0.667737  1
  Zr  Zr107  1  0.445572  0.455798  0.667357  1
  Zr  Zr108  1  0.446620  0.122557  0.667203  1
  Zr  Zr109  1  0.689337  0.580742  0.683177  1
  Zr  Zr110  1  0.688167  0.248853  0.682933  1
  Zr  Zr111  1  0.691125  0.912068  0.682181  1
  Zr  Zr112  1  0.837540  0.694065  0.707369  1
  Zr  Zr113  1  0.836905  0.361628  0.707482  1
  Zr  Zr114  1  0.825923  0.028726  0.707326  1
  Zr  Zr115  1  0.189962  0.580959  0.681876  1
  Zr  Zr116  1  0.191147  0.246038  0.682167  1
  Zr  Zr117  1  0.188140  0.916184  0.682921  1
  Zr  Zr118  1  0.324884  0.696378  0.707538  1
  Zr  Zr119  1  0.325522  0.362068  0.707429  1
  Zr  Zr120  1  0.336529  0.028404  0.707585  1
  Ni  Ni121  1  0.107966  0.274245  0.285253  1
  Ni  Ni122  1  0.107754  0.940857  0.285133  1
  Ni  Ni123  1  0.095212  0.607268  0.285847  1
  Ni  Ni124  1  0.644934  0.364221  0.326684  1
  Ni  Ni125  1  0.645333  0.030344  0.327276  1
  Ni  Ni126  1  0.647778  0.697136  0.326694  1
  Ni  Ni127  1  0.595190  0.273384  0.285850  1
  Ni  Ni128  1  0.595540  0.939996  0.285978  1
  Ni  Ni129  1  0.607846  0.606982  0.285283  1
  Ni  Ni130  1  0.147914  0.364931  0.326468  1
  Ni  Ni131  1  0.147501  0.031971  0.325968  1
  Ni  Ni132  1  0.145045  0.698664  0.326471  1
  Ni  Ni133  1  0.995338  0.208302  0.320491  1
  Ni  Ni134  1  0.995932  0.875764  0.320300  1
  Ni  Ni135  1  0.994693  0.540086  0.322256  1
  Ni  Ni136  1  0.535018  0.300580  0.363436  1
  Ni  Ni137  1  0.533558  0.966858  0.363954  1
  Ni  Ni138  1  0.535893  0.633325  0.363044  1
  Ni  Ni139  1  0.494899  0.206673  0.322313  1
  Ni  Ni140  1  0.494264  0.872473  0.322526  1
  Ni  Ni141  1  0.495513  0.541481  0.320579  1
  Ni  Ni142  1  0.035603  0.300693  0.363039  1
  Ni  Ni143  1  0.037127  0.967584  0.362606  1
  Ni  Ni144  1  0.034781  0.634578  0.363436  1
  Ni  Ni145  1  0.863151  0.124193  0.369153  1
  Ni  Ni146  1  0.861127  0.791007  0.369984  1
  Ni  Ni147  1  0.863495  0.457809  0.369109  1
  Ni  Ni148  1  0.398311  0.216825  0.413328  1
  Ni  Ni149  1  0.399085  0.883738  0.412814  1
  Ni  Ni150  1  0.398576  0.550345  0.412966  1
  Ni  Ni151  1  0.361279  0.124275  0.370011  1
  Ni  Ni152  1  0.363474  0.790897  0.369115  1
  Ni  Ni153  1  0.361035  0.457431  0.370010  1
  Ni  Ni154  1  0.899056  0.216998  0.412640  1
  Ni  Ni155  1  0.898439  0.883530  0.413092  1
  Ni  Ni156  1  0.898893  0.550189  0.412974  1
  Ni  Ni157  1  0.739979  0.053202  0.410978  1
  Ni  Ni158  1  0.739445  0.719769  0.411251  1
  Ni  Ni159  1  0.738888  0.386338  0.411010  1
  Ni  Ni160  1  0.279228  0.147208  0.453753  1
  Ni  Ni161  1  0.280391  0.813781  0.453497  1
  Ni  Ni162  1  0.280306  0.480561  0.453635  1
  Ni  Ni163  1  0.238513  0.053210  0.411237  1
  Ni  Ni164  1  0.239046  0.719875  0.411027  1
  Ni  Ni165  1  0.239565  0.386655  0.411265  1
  Ni  Ni166  1  0.781571  0.147296  0.453276  1
  Ni  Ni167  1  0.780385  0.814029  0.453550  1
  Ni  Ni168  1  0.780460  0.480581  0.453419  1
  Ni  Ni169  1  0.611354  0.975530  0.456852  1
  Ni  Ni170  1  0.611598  0.642473  0.456491  1
  Ni  Ni171  1  0.612280  0.308900  0.456575  1
  Ni  Ni172  1  0.151825  0.069607  0.499399  1
  Ni  Ni173  1  0.151417  0.735972  0.499608  1
  Ni  Ni174  1  0.151076  0.402743  0.499612  1
  Ni  Ni175  1  0.111419  0.975715  0.456592  1
  Ni  Ni176  1  0.111167  0.642146  0.456931  1
  Ni  Ni177  1  0.110433  0.309049  0.456854  1
  Ni  Ni178  1  0.651087  0.069051  0.499666  1
  Ni  Ni179  1  0.651486  0.736011  0.499468  1
  Ni  Ni180  1  0.651808  0.402600  0.499456  1
  Ni  Ni181  1  0.489278  0.903975  0.498858  1
  Ni  Ni182  1  0.488869  0.570340  0.499067  1
  Ni  Ni183  1  0.489618  0.237205  0.498854  1
  Ni  Ni184  1  0.029096  0.997474  0.541976  1
  Ni  Ni185  1  0.029340  0.664418  0.541615  1
  Ni  Ni186  1  0.028415  0.331048  0.541892  1
  Ni  Ni187  1  0.989209  0.903936  0.498999  1
  Ni  Ni188  1  0.989608  0.570897  0.498801  1
  Ni  Ni189  1  0.988886  0.237348  0.499010  1
  Ni  Ni190  1  0.529527  0.997802  0.541536  1
  Ni  Ni191  1  0.529275  0.664233  0.541874  1
  Ni  Ni192  1  0.530262  0.330899  0.541613  1
  Ni  Ni193  1  0.360303  0.826167  0.544970  1
  Ni  Ni194  1  0.361466  0.492739  0.544714  1
  Ni  Ni195  1  0.360388  0.159386  0.544832  1
  Ni  Ni196  1  0.901250  0.920178  0.587216  1
  Ni  Ni197  1  0.900715  0.586745  0.587489  1
  Ni  Ni198  1  0.901806  0.253610  0.587456  1
  Ni  Ni199  1  0.860309  0.825919  0.544916  1
  Ni  Ni200  1  0.859124  0.492652  0.545191  1
  Ni  Ni201  1  0.860234  0.159367  0.545047  1
  Ni  Ni202  1  0.401648  0.920073  0.587439  1
  Ni  Ni203  1  0.402181  0.586738  0.587230  1
  Ni  Ni204  1  0.401129  0.253293  0.587202  1
  Ni  Ni205  1  0.241609  0.756210  0.585653  1
  Ni  Ni206  1  0.242383  0.423123  0.585139  1
  Ni  Ni207  1  0.242119  0.089603  0.585500  1
  Ni  Ni208  1  0.779568  0.848941  0.628483  1
  Ni  Ni209  1  0.777543  0.515755  0.629314  1
  Ni  Ni210  1  0.777199  0.182139  0.629357  1
  Ni  Ni211  1  0.742255  0.756418  0.585374  1
  Ni  Ni212  1  0.741638  0.422950  0.585827  1
  Ni  Ni213  1  0.741801  0.089759  0.585492  1
  Ni  Ni214  1  0.277221  0.849050  0.629351  1
  Ni  Ni215  1  0.279415  0.515673  0.628455  1
  Ni  Ni216  1  0.279659  0.182517  0.628457  1
  Ni  Ni217  1  0.107136  0.673090  0.634513  1
  Ni  Ni218  1  0.105676  0.339368  0.635030  1
  Ni  Ni219  1  0.104801  0.006622  0.635422  1
  Ni  Ni220  1  0.644762  0.764184  0.678167  1
  Ni  Ni221  1  0.645356  0.431646  0.677975  1
  Ni  Ni222  1  0.646002  0.099862  0.676210  1
  Ni  Ni223  1  0.603567  0.672364  0.635860  1
  Ni  Ni224  1  0.605091  0.339255  0.635427  1
  Ni  Ni225  1  0.605914  0.005369  0.635031  1
  Ni  Ni226  1  0.146430  0.767475  0.675940  1
  Ni  Ni227  1  0.145795  0.433274  0.676153  1
  Ni  Ni228  1  0.145181  0.098466  0.677887  1
  Ni  Ni229  1  0.995361  0.609603  0.671190  1
  Ni  Ni230  1  0.995761  0.275727  0.671783  1
  Ni  Ni231  1  0.992916  0.942812  0.671773  1
  Ni  Ni232  1  0.532940  0.699091  0.713333  1
  Ni  Ni233  1  0.532728  0.365703  0.713213  1
  Ni  Ni234  1  0.545482  0.032680  0.712619  1
  Ni  Ni235  1  0.493193  0.607977  0.672499  1
  Ni  Ni236  1  0.492781  0.275016  0.671999  1
  Ni  Ni237  1  0.495649  0.941284  0.671995  1
  Ni  Ni238  1  0.045154  0.699952  0.712488  1
  Ni  Ni239  1  0.045504  0.366564  0.712617  1
  Ni  Ni240  1  0.032848  0.032965  0.713183  1
