# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.95459311
_cell_length_b   6.79140489
_cell_length_c   48.60186425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   57.52663273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr48 Ni144'
_cell_volume   5278.1867218
_cell_formula_units_Z   48
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  0.918005  0.637952  0.284553  1
  Zr  Zr2  1  0.218021  0.485433  0.303703  1
  Zr  Zr3  1  0.623245  0.772089  0.266636  1
  Zr  Zr4  1  0.996196  0.018248  0.298946  1
  Zr  Zr5  1  0.299327  0.862437  0.321581  1
  Zr  Zr6  1  0.701307  0.157621  0.280939  1
  Zr  Zr7  1  0.812180  0.188691  0.343854  1
  Zr  Zr8  1  0.109008  0.044878  0.363168  1
  Zr  Zr9  1  0.515029  0.335388  0.324430  1
  Zr  Zr10  1  0.894182  0.566172  0.359873  1
  Zr  Zr11  1  0.190018  0.423367  0.379235  1
  Zr  Zr12  1  0.595269  0.711724  0.340345  1
  Zr  Zr13  1  0.704064  0.751043  0.402490  1
  Zr  Zr14  1  1.001372  0.606514  0.421770  1
  Zr  Zr15  1  0.406404  0.897552  0.382823  1
  Zr  Zr16  1  0.785359  0.129187  0.418833  1
  Zr  Zr17  1  0.082157  0.983811  0.438376  1
  Zr  Zr18  1  0.487382  0.274892  0.399214  1
  Zr  Zr19  1  0.595904  0.313526  0.461498  1
  Zr  Zr20  1  0.893322  0.167783  0.481022  1
  Zr  Zr21  1  0.298357  0.460196  0.441693  1
  Zr  Zr22  1  0.676998  0.691473  0.477886  1
  Zr  Zr23  1  0.974243  0.545572  0.497551  1
  Zr  Zr24  1  0.379295  0.837990  0.458230  1
  Zr  Zr25  1  0.487555  0.876433  0.520442  1
  Zr  Zr26  1  0.785258  0.729916  0.540097  1
  Zr  Zr27  1  0.190310  0.022334  0.500777  1
  Zr  Zr28  1  0.568649  0.254380  0.536829  1
  Zr  Zr29  1  0.866196  0.107709  0.556634  1
  Zr  Zr30  1  0.271231  0.400122  0.517306  1
  Zr  Zr31  1  0.379194  0.438718  0.579495  1
  Zr  Zr32  1  0.677171  0.293013  0.599114  1
  Zr  Zr33  1  0.082396  0.584095  0.559952  1
  Zr  Zr34  1  0.460489  0.816863  0.595838  1
  Zr  Zr35  1  0.758150  0.670354  0.615505  1
  Zr  Zr36  1  0.163182  0.961392  0.576558  1
  Zr  Zr37  1  0.270372  1.001734  0.638455  1
  Zr  Zr38  1  0.569285  0.856182  0.657982  1
  Zr  Zr39  1  0.974535  0.144539  0.619093  1
  Zr  Zr40  1  0.352374  0.379214  0.654474  1
  Zr  Zr41  1  0.649524  0.232517  0.673897  1
  Zr  Zr42  1  0.055546  0.523028  0.635159  1
  Zr  Zr43  1  0.168358  0.549658  0.699381  1
  Zr  Zr44  1  0.463246  0.410285  0.717389  1
  Zr  Zr45  1  0.865226  0.705469  0.676747  1
  Zr  Zr46  1  0.246549  0.929954  0.713774  1
  Zr  Zr47  1  0.541308  0.795817  0.731692  1
  Zr  Zr48  1  0.946532  0.082472  0.694625  1
  Ni  Ni49  1  0.865063  0.414238  0.314040  1
  Ni  Ni50  1  0.271466  0.715047  0.276851  1
  Ni  Ni51  1  0.567081  0.555429  0.294692  1
  Ni  Ni52  1  0.847486  0.083921  0.293327  1
  Ni  Ni53  1  0.148276  0.940241  0.310915  1
  Ni  Ni54  1  0.551376  0.223203  0.274046  1
  Ni  Ni55  1  0.061916  0.225536  0.273660  1
  Ni  Ni56  1  0.354539  0.073813  0.291457  1
  Ni  Ni57  1  0.650556  0.930870  0.311328  1
  Ni  Ni58  1  0.069689  0.554305  0.294576  1
  Ni  Ni59  1  0.368097  0.403035  0.313513  1
  Ni  Ni60  1  0.768820  0.702002  0.277806  1
  Ni  Ni61  1  0.125014  0.786193  0.267166  1
  Ni  Ni62  1  0.419103  0.629798  0.285133  1
  Ni  Ni63  1  0.716416  0.484085  0.304893  1
  Ni  Ni64  1  0.797161  0.859057  0.320801  1
  Ni  Ni65  1  0.204438  0.150238  0.281840  1
  Ni  Ni66  1  0.499572  0.003864  0.301086  1
  Ni  Ni67  1  0.756879  0.971597  0.372714  1
  Ni  Ni68  1  0.161485  0.269621  0.332481  1
  Ni  Ni69  1  0.459371  0.117395  0.352737  1
  Ni  Ni70  1  0.744858  0.642332  0.349567  1
  Ni  Ni71  1  0.041986  0.498164  0.368692  1
  Ni  Ni72  1  0.446708  0.788789  0.330103  1
  Ni  Ni73  1  0.948563  0.784359  0.329991  1
  Ni  Ni74  1  0.245480  0.638731  0.349762  1
  Ni  Ni75  1  0.543441  0.490186  0.370332  1
  Ni  Ni76  1  0.961216  0.113778  0.352682  1
  Ni  Ni77  1  0.257616  0.970285  0.373419  1
  Ni  Ni78  1  0.664603  0.255160  0.333610  1
  Ni  Ni79  1  0.014667  0.340588  0.322903  1
  Ni  Ni80  1  0.312650  0.194250  0.342677  1
  Ni  Ni81  1  0.610414  0.042544  0.363068  1
  Ni  Ni82  1  0.689557  0.420287  0.379628  1
  Ni  Ni83  1  0.093508  0.718176  0.338997  1
  Ni  Ni84  1  0.391800  0.564963  0.359972  1
  Ni  Ni85  1  0.648903  0.533852  0.431735  1
  Ni  Ni86  1  0.054173  0.827383  0.391765  1
  Ni  Ni87  1  0.351406  0.680443  0.412045  1
  Ni  Ni88  1  0.636288  0.203904  0.408874  1
  Ni  Ni89  1  0.933704  0.058497  0.428280  1
  Ni  Ni90  1  0.338424  0.350496  0.388927  1
  Ni  Ni91  1  0.840646  0.346616  0.389496  1
  Ni  Ni92  1  0.137151  0.201980  0.409276  1
  Ni  Ni93  1  0.434436  0.054937  0.429041  1
  Ni  Ni94  1  0.852901  0.676526  0.412544  1
  Ni  Ni95  1  0.149965  0.531581  0.432140  1
  Ni  Ni96  1  0.555514  0.821484  0.393170  1
  Ni  Ni97  1  0.908057  0.898378  0.382301  1
  Ni  Ni98  1  0.204937  0.752895  0.402159  1
  Ni  Ni99  1  0.502158  0.605939  0.422141  1
  Ni  Ni100  1  0.581276  0.982730  0.438724  1
  Ni  Ni101  1  0.986838  0.274728  0.399132  1
  Ni  Ni102  1  0.283555  0.129750  0.419020  1
  Ni  Ni103  1  0.540616  0.096742  0.490715  1
  Ni  Ni104  1  0.946305  0.388839  0.451225  1
  Ni  Ni105  1  0.243132  0.243422  0.470997  1
  Ni  Ni106  1  0.527902  0.767202  0.467750  1
  Ni  Ni107  1  0.825513  0.620774  0.487379  1
  Ni  Ni108  1  0.230402  0.913408  0.448038  1
  Ni  Ni109  1  0.732223  0.908562  0.448654  1
  Ni  Ni110  1  0.029366  0.762743  0.468285  1
  Ni  Ni111  1  0.326364  0.617198  0.487979  1
  Ni  Ni112  1  0.744884  0.238139  0.471583  1
  Ni  Ni113  1  0.042069  0.092796  0.491186  1
  Ni  Ni114  1  0.447331  0.384366  0.451966  1
  Ni  Ni115  1  0.799752  0.460250  0.441613  1
  Ni  Ni116  1  0.096739  0.315318  0.461244  1
  Ni  Ni117  1  0.393873  0.169085  0.481014  1
  Ni  Ni118  1  0.472996  0.545426  0.497651  1
  Ni  Ni119  1  0.878870  0.836487  0.458304  1
  Ni  Ni120  1  0.175715  0.691172  0.478003  1
  Ni  Ni121  1  0.432330  0.659343  0.549674  1
  Ni  Ni122  1  0.838189  0.950708  0.510348  1
  Ni  Ni123  1  0.135187  0.805163  0.530043  1
  Ni  Ni124  1  0.419669  0.329766  0.526744  1
  Ni  Ni125  1  0.717222  0.183539  0.546362  1
  Ni  Ni126  1  0.122484  0.475109  0.507142  1
  Ni  Ni127  1  0.623938  0.471163  0.507613  1
  Ni  Ni128  1  0.921421  0.324483  0.527330  1
  Ni  Ni129  1  0.218248  0.179066  0.547103  1
  Ni  Ni130  1  0.636652  0.800703  0.530578  1
  Ni  Ni131  1  0.934151  0.654497  0.550289  1
  Ni  Ni132  1  0.339040  0.947131  0.510949  1
  Ni  Ni133  1  0.691557  0.022480  0.500677  1
  Ni  Ni134  1  0.988839  0.876734  0.520324  1
  Ni  Ni135  1  0.285684  0.731418  0.540024  1
  Ni  Ni136  1  0.364801  0.107655  0.556715  1
  Ni  Ni137  1  0.770681  0.398821  0.517313  1
  Ni  Ni138  1  0.067814  0.252588  0.537083  1
  Ni  Ni139  1  0.323908  0.221290  0.608832  1
  Ni  Ni140  1  0.730117  0.512969  0.569287  1
  Ni  Ni141  1  0.027402  0.365925  0.589052  1
  Ni  Ni142  1  0.311653  0.891379  0.585784  1
  Ni  Ni143  1  0.609039  0.746421  0.605158  1
  Ni  Ni144  1  0.014588  0.036325  0.566188  1
  Ni  Ni145  1  0.515650  0.034054  0.566593  1
  Ni  Ni146  1  0.813148  0.887463  0.586282  1
  Ni  Ni147  1  0.110381  0.740523  0.606563  1
  Ni  Ni148  1  0.528266  0.364001  0.589454  1
  Ni  Ni149  1  0.826129  0.217410  0.609400  1
  Ni  Ni150  1  0.230849  0.509409  0.570047  1
  Ni  Ni151  1  0.583277  0.585176  0.559604  1
  Ni  Ni152  1  0.880999  0.438156  0.579308  1
  Ni  Ni153  1  0.177715  0.293178  0.599196  1
  Ni  Ni154  1  0.256496  0.669528  0.616027  1
  Ni  Ni155  1  0.662395  0.961967  0.576187  1
  Ni  Ni156  1  0.959616  0.815011  0.596168  1
  Ni  Ni157  1  0.215991  0.783547  0.668336  1
  Ni  Ni158  1  0.621112  0.077719  0.627996  1
  Ni  Ni159  1  0.919074  0.929174  0.648565  1
  Ni  Ni160  1  0.203338  0.454128  0.645645  1
  Ni  Ni161  1  0.499951  0.312746  0.664717  1
  Ni  Ni162  1  0.906937  0.597620  0.624909  1
  Ni  Ni163  1  0.407674  0.596309  0.625614  1
  Ni  Ni164  1  0.705183  0.450511  0.645591  1
  Ni  Ni165  1  0.003068  0.298285  0.665846  1
  Ni  Ni166  1  0.419695  0.925574  0.648760  1
  Ni  Ni167  1  0.717845  0.779117  0.668225  1
  Ni  Ni168  1  0.122568  0.069741  0.629635  1
  Ni  Ni169  1  0.474997  0.147619  0.618699  1
  Ni  Ni170  1  0.772753  0.002943  0.638356  1
  Ni  Ni171  1  0.071046  0.849730  0.659331  1
  Ni  Ni172  1  0.149886  0.227318  0.675424  1
  Ni  Ni173  1  0.554140  0.525362  0.635259  1
  Ni  Ni174  1  0.851904  0.373655  0.655650  1
  Ni  Ni175  1  0.102638  0.342370  0.724667  1
  Ni  Ni176  1  0.513998  0.637036  0.687000  1
  Ni  Ni177  1  0.810015  0.494092  0.706870  1
  Ni  Ni178  1  0.094864  0.013601  0.703751  1
  Ni  Ni179  1  0.395733  0.865903  0.720521  1
  Ni  Ni180  1  0.796457  0.164871  0.684814  1
  Ni  Ni181  1  0.299490  0.153667  0.684287  1
  Ni  Ni182  1  0.597472  0.012476  0.703635  1
  Ni  Ni183  1  0.893087  0.852859  0.721476  1
  Ni  Ni184  1  0.317067  0.483984  0.705000  1
  Ni  Ni185  1  0.613178  0.344703  0.724281  1
  Ni  Ni186  1  0.016277  0.627665  0.687413  1
  Ni  Ni187  1  0.367392  0.708848  0.677526  1
  Ni  Ni188  1  0.664981  0.564042  0.697242  1
  Ni  Ni189  1  0.960115  0.417668  0.716487  1
  Ni  Ni190  1  0.039540  0.781713  0.731162  1
  Ni  Ni191  1  0.448137  0.083821  0.693434  1
  Ni  Ni192  1  0.745451  0.938108  0.713194  1
