# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.54247256
_cell_length_b   15.15981826
_cell_length_c   55.52280086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.76212556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr144 Ni144'
_cell_volume   11023.984234
_cell_formula_units_Z   144
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  0.112971  0.110986  0.319140  1
  Zr  Zr2  1  0.779637  0.777653  0.319140  1
  Zr  Zr3  1  0.891486  0.021469  0.357138  1
  Zr  Zr4  1  0.338287  0.217324  0.287314  1
  Zr  Zr5  1  0.446304  0.444320  0.319140  1
  Zr  Zr6  1  0.558153  0.688136  0.357138  1
  Zr  Zr7  1  0.004954  0.883991  0.287314  1
  Zr  Zr8  1  0.224820  0.354803  0.357138  1
  Zr  Zr9  1  0.671620  0.550657  0.287314  1
  Zr  Zr10  1  0.249413  0.981909  0.308724  1
  Zr  Zr11  1  0.916080  0.648575  0.308724  1
  Zr  Zr12  1  0.021434  0.883573  0.344716  1
  Zr  Zr13  1  0.797590  0.790446  0.381682  1
  Zr  Zr14  1  0.582747  0.315242  0.308724  1
  Zr  Zr15  1  0.688101  0.550240  0.344716  1
  Zr  Zr16  1  0.464257  0.457113  0.381682  1
  Zr  Zr17  1  0.354768  0.216906  0.344716  1
  Zr  Zr18  1  0.130924  0.123779  0.381682  1
  Zr  Zr19  1  0.391486  0.021469  0.357138  1
  Zr  Zr20  1  0.058153  0.688136  0.357138  1
  Zr  Zr21  1  0.838287  0.217324  0.287314  1
  Zr  Zr22  1  0.612971  0.110986  0.319140  1
  Zr  Zr23  1  0.724820  0.354803  0.357138  1
  Zr  Zr24  1  0.504954  0.883991  0.287314  1
  Zr  Zr25  1  0.279637  0.777653  0.319140  1
  Zr  Zr26  1  0.171620  0.550657  0.287314  1
  Zr  Zr27  1  0.946304  0.444320  0.319140  1
  Zr  Zr28  1  0.297590  0.790446  0.381682  1
  Zr  Zr29  1  0.964257  0.457113  0.381682  1
  Zr  Zr30  1  0.749413  0.981909  0.308724  1
  Zr  Zr31  1  0.521434  0.883573  0.344716  1
  Zr  Zr32  1  0.630924  0.123779  0.381682  1
  Zr  Zr33  1  0.416080  0.648575  0.308724  1
  Zr  Zr34  1  0.188101  0.550240  0.344716  1
  Zr  Zr35  1  0.082747  0.315242  0.308724  1
  Zr  Zr36  1  0.854768  0.216906  0.344716  1
  Zr  Zr37  1  0.441533  0.832533  0.431383  1
  Zr  Zr38  1  0.108199  0.499199  0.431383  1
  Zr  Zr39  1  0.216989  0.738422  0.468441  1
  Zr  Zr40  1  0.665940  0.925288  0.393992  1
  Zr  Zr41  1  0.774866  0.165866  0.431383  1
  Zr  Zr42  1  0.883655  0.405088  0.468441  1
  Zr  Zr43  1  0.332606  0.591955  0.393992  1
  Zr  Zr44  1  0.550322  0.071755  0.468441  1
  Zr  Zr45  1  0.999273  0.258621  0.393992  1
  Zr  Zr46  1  0.572727  0.696658  0.419176  1
  Zr  Zr47  1  0.239394  0.363324  0.419176  1
  Zr  Zr48  1  0.348312  0.602557  0.456211  1
  Zr  Zr49  1  0.123713  0.508912  0.493446  1
  Zr  Zr50  1  0.906061  0.029991  0.419176  1
  Zr  Zr51  1  0.014979  0.269224  0.456211  1
  Zr  Zr52  1  0.790380  0.175578  0.493446  1
  Zr  Zr53  1  0.681645  0.935890  0.456211  1
  Zr  Zr54  1  0.457046  0.842245  0.493446  1
  Zr  Zr55  1  0.716989  0.738422  0.468441  1
  Zr  Zr56  1  0.383655  0.405088  0.468441  1
  Zr  Zr57  1  0.165940  0.925288  0.393992  1
  Zr  Zr58  1  0.941533  0.832533  0.431383  1
  Zr  Zr59  1  0.050322  0.071755  0.468441  1
  Zr  Zr60  1  0.832606  0.591955  0.393992  1
  Zr  Zr61  1  0.608199  0.499199  0.431383  1
  Zr  Zr62  1  0.499273  0.258621  0.393992  1
  Zr  Zr63  1  0.274866  0.165866  0.431383  1
  Zr  Zr64  1  0.623713  0.508912  0.493446  1
  Zr  Zr65  1  0.290380  0.175578  0.493446  1
  Zr  Zr66  1  0.072727  0.696658  0.419176  1
  Zr  Zr67  1  0.848312  0.602557  0.456211  1
  Zr  Zr68  1  0.957046  0.842245  0.493446  1
  Zr  Zr69  1  0.739394  0.363324  0.419176  1
  Zr  Zr70  1  0.514979  0.269224  0.456211  1
  Zr  Zr71  1  0.406061  0.029991  0.419176  1
  Zr  Zr72  1  0.181645  0.935890  0.456211  1
  Zr  Zr73  1  0.767896  0.551025  0.542807  1
  Zr  Zr74  1  0.434562  0.217691  0.542807  1
  Zr  Zr75  1  0.543481  0.456924  0.579843  1
  Zr  Zr76  1  0.992495  0.644670  0.505572  1
  Zr  Zr77  1  0.101229  0.884358  0.542807  1
  Zr  Zr78  1  0.210147  0.123591  0.579843  1
  Zr  Zr79  1  0.659161  0.311337  0.505572  1
  Zr  Zr80  1  0.876814  0.790258  0.579843  1
  Zr  Zr81  1  0.325828  0.978003  0.505572  1
  Zr  Zr82  1  0.899219  0.415160  0.530577  1
  Zr  Zr83  1  0.565886  0.081827  0.530577  1
  Zr  Zr84  1  0.674675  0.321049  0.567636  1
  Zr  Zr85  1  0.450268  0.228294  0.605027  1
  Zr  Zr86  1  0.232552  0.748493  0.530577  1
  Zr  Zr87  1  0.341342  0.987716  0.567636  1
  Zr  Zr88  1  0.116935  0.894961  0.605027  1
  Zr  Zr89  1  0.008009  0.654382  0.567636  1
  Zr  Zr90  1  0.783602  0.561627  0.605027  1
  Zr  Zr91  1  0.043481  0.456924  0.579843  1
  Zr  Zr92  1  0.710147  0.123591  0.579843  1
  Zr  Zr93  1  0.492495  0.644670  0.505572  1
  Zr  Zr94  1  0.267896  0.551025  0.542807  1
  Zr  Zr95  1  0.376814  0.790258  0.579843  1
  Zr  Zr96  1  0.159161  0.311337  0.505572  1
  Zr  Zr97  1  0.934562  0.217691  0.542807  1
  Zr  Zr98  1  0.825828  0.978003  0.505572  1
  Zr  Zr99  1  0.601229  0.884358  0.542807  1
  Zr  Zr100  1  0.950268  0.228294  0.605027  1
  Zr  Zr101  1  0.616935  0.894961  0.605027  1
  Zr  Zr102  1  0.399219  0.415160  0.530577  1
  Zr  Zr103  1  0.174675  0.321049  0.567636  1
  Zr  Zr104  1  0.283602  0.561627  0.605027  1
  Zr  Zr105  1  0.065886  0.081827  0.530577  1
  Zr  Zr106  1  0.841342  0.987716  0.567636  1
  Zr  Zr107  1  0.732552  0.748493  0.530577  1
  Zr  Zr108  1  0.508009  0.654382  0.567636  1
  Zr  Zr109  1  0.094773  0.270009  0.654303  1
  Zr  Zr110  1  0.761440  0.936675  0.654303  1
  Zr  Zr111  1  0.866795  0.171673  0.690294  1
  Zr  Zr112  1  0.318617  0.363136  0.617336  1
  Zr  Zr113  1  0.428107  0.603342  0.654303  1
  Zr  Zr114  1  0.533461  0.838340  0.690294  1
  Zr  Zr115  1  0.985284  0.029802  0.617336  1
  Zr  Zr116  1  0.200128  0.505006  0.690294  1
  Zr  Zr117  1  0.651951  0.696469  0.617336  1
  Zr  Zr118  1  0.224721  0.132113  0.641880  1
  Zr  Zr119  1  0.891388  0.798779  0.641880  1
  Zr  Zr120  1  0.003237  0.042595  0.679879  1
  Zr  Zr121  1  0.777921  0.936258  0.711705  1
  Zr  Zr122  1  0.558055  0.465446  0.641880  1
  Zr  Zr123  1  0.669904  0.709262  0.679879  1
  Zr  Zr124  1  0.444588  0.602925  0.711705  1
  Zr  Zr125  1  0.336571  0.375929  0.679879  1
  Zr  Zr126  1  0.111254  0.269591  0.711705  1
  Zr  Zr127  1  0.366795  0.171673  0.690294  1
  Zr  Zr128  1  0.033461  0.838340  0.690294  1
  Zr  Zr129  1  0.818617  0.363136  0.617336  1
  Zr  Zr130  1  0.594773  0.270009  0.654303  1
  Zr  Zr131  1  0.700128  0.505006  0.690294  1
  Zr  Zr132  1  0.485284  0.029802  0.617336  1
  Zr  Zr133  1  0.261440  0.936675  0.654303  1
  Zr  Zr134  1  0.151951  0.696469  0.617336  1
  Zr  Zr135  1  0.928107  0.603342  0.654303  1
  Zr  Zr136  1  0.277921  0.936258  0.711705  1
  Zr  Zr137  1  0.944588  0.602925  0.711705  1
  Zr  Zr138  1  0.724721  0.132113  0.641880  1
  Zr  Zr139  1  0.503237  0.042595  0.679879  1
  Zr  Zr140  1  0.611254  0.269591  0.711705  1
  Zr  Zr141  1  0.391388  0.798779  0.641880  1
  Zr  Zr142  1  0.169904  0.709262  0.679879  1
  Zr  Zr143  1  0.058055  0.465446  0.641880  1
  Zr  Zr144  1  0.836571  0.375929  0.679879  1
  Ni  Ni145  1  0.206622  0.033656  0.351347  1
  Ni  Ni146  1  0.873288  0.700323  0.351347  1
  Ni  Ni147  1  0.656879  0.221003  0.278579  1
  Ni  Ni148  1  0.435985  0.131541  0.312580  1
  Ni  Ni149  1  0.539955  0.366989  0.351347  1
  Ni  Ni150  1  0.323545  0.887670  0.278579  1
  Ni  Ni151  1  0.102652  0.798208  0.312580  1
  Ni  Ni152  1  0.990212  0.554337  0.278579  1
  Ni  Ni153  1  0.769319  0.464875  0.312580  1
  Ni  Ni154  1  0.479077  0.775506  0.387865  1
  Ni  Ni155  1  0.145743  0.442173  0.387865  1
  Ni  Ni156  1  0.923880  0.963545  0.314839  1
  Ni  Ni157  1  0.706738  0.869966  0.349639  1
  Ni  Ni158  1  0.812410  0.108839  0.387865  1
  Ni  Ni159  1  0.590546  0.630211  0.314839  1
  Ni  Ni160  1  0.373405  0.536633  0.349639  1
  Ni  Ni161  1  0.257213  0.296878  0.314839  1
  Ni  Ni162  1  0.040072  0.203300  0.349639  1
  Ni  Ni163  1  0.156879  0.221003  0.278579  1
  Ni  Ni164  1  0.823545  0.887670  0.278579  1
  Ni  Ni165  1  0.935985  0.131541  0.312580  1
  Ni  Ni166  1  0.706622  0.033656  0.351347  1
  Ni  Ni167  1  0.490212  0.554337  0.278579  1
  Ni  Ni168  1  0.602652  0.798208  0.312580  1
  Ni  Ni169  1  0.373288  0.700323  0.351347  1
  Ni  Ni170  1  0.269319  0.464875  0.312580  1
  Ni  Ni171  1  0.039955  0.366989  0.351347  1
  Ni  Ni172  1  0.206738  0.869966  0.349639  1
  Ni  Ni173  1  0.873405  0.536633  0.349639  1
  Ni  Ni174  1  0.979077  0.775506  0.387865  1
  Ni  Ni175  1  0.423880  0.963545  0.314839  1
  Ni  Ni176  1  0.540072  0.203300  0.349639  1
  Ni  Ni177  1  0.645743  0.442173  0.387865  1
  Ni  Ni178  1  0.090546  0.630211  0.314839  1
  Ni  Ni179  1  0.312410  0.108839  0.387865  1
  Ni  Ni180  1  0.757213  0.296878  0.314839  1
  Ni  Ni181  1  0.533880  0.752912  0.462842  1
  Ni  Ni182  1  0.200546  0.419579  0.462842  1
  Ni  Ni183  1  0.983063  0.940594  0.388739  1
  Ni  Ni184  1  0.758687  0.846606  0.425549  1
  Ni  Ni185  1  0.867213  0.086245  0.462842  1
  Ni  Ni186  1  0.649730  0.607261  0.388739  1
  Ni  Ni187  1  0.425353  0.513273  0.425549  1
  Ni  Ni188  1  0.316397  0.273928  0.388739  1
  Ni  Ni189  1  0.092020  0.179940  0.425549  1
  Ni  Ni190  1  0.806786  0.494536  0.499075  1
  Ni  Ni191  1  0.473453  0.161202  0.499075  1
  Ni  Ni192  1  0.256472  0.682347  0.424665  1
  Ni  Ni193  1  0.031173  0.588243  0.461894  1
  Ni  Ni194  1  0.140120  0.827869  0.499075  1
  Ni  Ni195  1  0.923139  0.349014  0.424665  1
  Ni  Ni196  1  0.697840  0.254909  0.461894  1
  Ni  Ni197  1  0.589806  0.015680  0.424665  1
  Ni  Ni198  1  0.364506  0.921576  0.461894  1
  Ni  Ni199  1  0.483063  0.940594  0.388739  1
  Ni  Ni200  1  0.149730  0.607261  0.388739  1
  Ni  Ni201  1  0.258687  0.846606  0.425549  1
  Ni  Ni202  1  0.033880  0.752912  0.462842  1
  Ni  Ni203  1  0.816397  0.273928  0.388739  1
  Ni  Ni204  1  0.925353  0.513273  0.425549  1
  Ni  Ni205  1  0.700546  0.419579  0.462842  1
  Ni  Ni206  1  0.592020  0.179940  0.425549  1
  Ni  Ni207  1  0.367213  0.086245  0.462842  1
  Ni  Ni208  1  0.531173  0.588243  0.461894  1
  Ni  Ni209  1  0.197840  0.254909  0.461894  1
  Ni  Ni210  1  0.306786  0.494536  0.499075  1
  Ni  Ni211  1  0.756472  0.682347  0.424665  1
  Ni  Ni212  1  0.864506  0.921576  0.461894  1
  Ni  Ni213  1  0.973453  0.161202  0.499075  1
  Ni  Ni214  1  0.423139  0.349014  0.424665  1
  Ni  Ni215  1  0.640120  0.827869  0.499075  1
  Ni  Ni216  1  0.089806  0.015680  0.424665  1
  Ni  Ni217  1  0.859736  0.471235  0.574354  1
  Ni  Ni218  1  0.526402  0.137902  0.574354  1
  Ni  Ni219  1  0.309421  0.659046  0.499944  1
  Ni  Ni220  1  0.085035  0.565339  0.537124  1
  Ni  Ni221  1  0.193069  0.804568  0.574354  1
  Ni  Ni222  1  0.976088  0.325713  0.499944  1
  Ni  Ni223  1  0.751702  0.232006  0.537124  1
  Ni  Ni224  1  0.642755  0.992380  0.499944  1
  Ni  Ni225  1  0.418368  0.898673  0.537124  1
  Ni  Ni226  1  0.133145  0.212988  0.610280  1
  Ni  Ni227  1  0.799811  0.879654  0.610280  1
  Ni  Ni228  1  0.582328  0.400670  0.536176  1
  Ni  Ni229  1  0.357521  0.306975  0.573469  1
  Ni  Ni230  1  0.466478  0.546321  0.610280  1
  Ni  Ni231  1  0.248995  0.067336  0.536176  1
  Ni  Ni232  1  0.024188  0.973642  0.573469  1
  Ni  Ni233  1  0.915662  0.734003  0.536176  1
  Ni  Ni234  1  0.690854  0.640309  0.573469  1
  Ni  Ni235  1  0.809421  0.659046  0.499944  1
  Ni  Ni236  1  0.476088  0.325713  0.499944  1
  Ni  Ni237  1  0.585035  0.565339  0.537124  1
  Ni  Ni238  1  0.359736  0.471235  0.574354  1
  Ni  Ni239  1  0.142755  0.992380  0.499944  1
  Ni  Ni240  1  0.251702  0.232006  0.537124  1
  Ni  Ni241  1  0.026402  0.137902  0.574354  1
  Ni  Ni242  1  0.918368  0.898673  0.537124  1
  Ni  Ni243  1  0.693069  0.804568  0.574354  1
  Ni  Ni244  1  0.857521  0.306975  0.573469  1
  Ni  Ni245  1  0.524188  0.973642  0.573469  1
  Ni  Ni246  1  0.633145  0.212988  0.610280  1
  Ni  Ni247  1  0.082328  0.400670  0.536176  1
  Ni  Ni248  1  0.190854  0.640309  0.573469  1
  Ni  Ni249  1  0.299811  0.879654  0.610280  1
  Ni  Ni250  1  0.748995  0.067336  0.536176  1
  Ni  Ni251  1  0.966478  0.546321  0.610280  1
  Ni  Ni252  1  0.415662  0.734003  0.536176  1
  Ni  Ni253  1  0.192328  0.190037  0.684179  1
  Ni  Ni254  1  0.858995  0.856704  0.684179  1
  Ni  Ni255  1  0.637131  0.378076  0.611154  1
  Ni  Ni256  1  0.409469  0.283616  0.649380  1
  Ni  Ni257  1  0.525661  0.523371  0.684179  1
  Ni  Ni258  1  0.303798  0.044743  0.611154  1
  Ni  Ni259  1  0.076136  0.950282  0.649380  1
  Ni  Ni260  1  0.970465  0.711409  0.611154  1
  Ni  Ni261  1  0.742803  0.616949  0.649380  1
  Ni  Ni262  1  0.459329  0.932579  0.720440  1
  Ni  Ni263  1  0.125996  0.599245  0.720440  1
  Ni  Ni264  1  0.909586  0.119926  0.647672  1
  Ni  Ni265  1  0.680223  0.022041  0.686439  1
  Ni  Ni266  1  0.792662  0.265912  0.720440  1
  Ni  Ni267  1  0.576253  0.786593  0.647672  1
  Ni  Ni268  1  0.346889  0.688707  0.686439  1
  Ni  Ni269  1  0.242919  0.453259  0.647672  1
  Ni  Ni270  1  0.013556  0.355374  0.686439  1
  Ni  Ni271  1  0.137131  0.378076  0.611154  1
  Ni  Ni272  1  0.803798  0.044743  0.611154  1
  Ni  Ni273  1  0.909469  0.283616  0.649380  1
  Ni  Ni274  1  0.692328  0.190037  0.684179  1
  Ni  Ni275  1  0.470465  0.711409  0.611154  1
  Ni  Ni276  1  0.576136  0.950282  0.649380  1
  Ni  Ni277  1  0.358995  0.856704  0.684179  1
  Ni  Ni278  1  0.242803  0.616949  0.649380  1
  Ni  Ni279  1  0.025661  0.523371  0.684179  1
  Ni  Ni280  1  0.180223  0.022041  0.686439  1
  Ni  Ni281  1  0.846889  0.688707  0.686439  1
  Ni  Ni282  1  0.959329  0.932579  0.720440  1
  Ni  Ni283  1  0.409586  0.119926  0.647672  1
  Ni  Ni284  1  0.513556  0.355374  0.686439  1
  Ni  Ni285  1  0.625996  0.599245  0.720440  1
  Ni  Ni286  1  0.076253  0.786593  0.647672  1
  Ni  Ni287  1  0.292662  0.265912  0.720440  1
  Ni  Ni288  1  0.742919  0.453259  0.647672  1
