# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09160784
_cell_length_b   13.90572880
_cell_length_c   46.83862302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.09246794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr48 Ni144'
_cell_volume   5595.85772224
_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  0.784904  0.892222  0.280897  1
  Zr  Zr2  1  0.945821  0.202082  0.297338  1
  Zr  Zr3  1  0.100615  0.525794  0.315694  1
  Zr  Zr4  1  0.182567  0.048996  0.288533  1
  Zr  Zr5  1  0.342215  0.358687  0.304835  1
  Zr  Zr6  1  0.512418  0.686408  0.323209  1
  Zr  Zr7  1  0.258695  0.843959  0.335342  1
  Zr  Zr8  1  0.417581  0.163277  0.353276  1
  Zr  Zr9  1  0.578298  0.482793  0.372303  1
  Zr  Zr10  1  0.672618  0.003379  0.343892  1
  Zr  Zr11  1  0.830957  0.322719  0.363026  1
  Zr  Zr12  1  0.989956  0.641855  0.381562  1
  Zr  Zr13  1  0.738042  0.801773  0.390873  1
  Zr  Zr14  1  0.898649  0.122972  0.409346  1
  Zr  Zr15  1  0.059217  0.443200  0.427100  1
  Zr  Zr16  1  0.150424  0.962113  0.400376  1
  Zr  Zr17  1  0.310231  0.283348  0.418117  1
  Zr  Zr18  1  0.470146  0.602984  0.436408  1
  Zr  Zr19  1  0.218835  0.762706  0.445947  1
  Zr  Zr20  1  0.378398  0.082821  0.464671  1
  Zr  Zr21  1  0.538287  0.403171  0.483143  1
  Zr  Zr22  1  0.630246  0.922728  0.455393  1
  Zr  Zr23  1  0.790715  0.242957  0.473916  1
  Zr  Zr24  1  0.951067  0.563275  0.492478  1
  Zr  Zr25  1  0.698317  0.723352  0.501774  1
  Zr  Zr26  1  0.858670  0.043670  0.520336  1
  Zr  Zr27  1  0.019138  0.363898  0.538859  1
  Zr  Zr28  1  0.111097  0.883456  0.511109  1
  Zr  Zr29  1  0.270986  0.203805  0.529581  1
  Zr  Zr30  1  0.430549  0.523921  0.548305  1
  Zr  Zr31  1  0.179239  0.683643  0.557844  1
  Zr  Zr32  1  0.339154  0.003279  0.576135  1
  Zr  Zr33  1  0.498961  0.324514  0.593876  1
  Zr  Zr34  1  0.590168  0.843427  0.567152  1
  Zr  Zr35  1  0.750735  0.163655  0.584906  1
  Zr  Zr36  1  0.911343  0.484854  0.603379  1
  Zr  Zr37  1  0.659428  0.644772  0.612690  1
  Zr  Zr38  1  0.818428  0.963908  0.631226  1
  Zr  Zr39  1  0.976766  0.283248  0.650360  1
  Zr  Zr40  1  0.071086  0.803834  0.621949  1
  Zr  Zr41  1  0.231803  0.123350  0.640976  1
  Zr  Zr42  1  0.390690  0.442668  0.658911  1
  Zr  Zr43  1  0.136966  0.600218  0.671043  1
  Zr  Zr44  1  0.307169  0.927940  0.689417  1
  Zr  Zr45  1  0.466817  0.237631  0.705719  1
  Zr  Zr46  1  0.548770  0.760832  0.678558  1
  Zr  Zr47  1  0.703563  0.084545  0.696914  1
  Zr  Zr48  1  0.864480  0.394405  0.713355  1
  Ni  Ni49  1  0.516476  0.865982  0.307256  1
  Ni  Ni50  1  0.681689  0.185656  0.325325  1
  Ni  Ni51  1  0.360398  0.541149  0.289356  1
  Ni  Ni52  1  0.427793  0.025197  0.316315  1
  Ni  Ni53  1  0.097576  0.389366  0.280264  1
  Ni  Ni54  1  0.263176  0.705975  0.298050  1
  Ni  Ni55  1  0.932607  0.023468  0.318238  1
  Ni  Ni56  1  0.619247  0.386310  0.282226  1
  Ni  Ni57  1  0.781918  0.704434  0.299005  1
  Ni  Ni58  1  0.017117  0.863910  0.308483  1
  Ni  Ni59  1  0.177573  0.182700  0.326958  1
  Ni  Ni60  1  0.851911  0.542710  0.290667  1
  Ni  Ni61  1  0.272095  0.886507  0.282233  1
  Ni  Ni62  1  0.447498  0.204721  0.298459  1
  Ni  Ni63  1  0.600511  0.523127  0.315966  1
  Ni  Ni64  1  0.687118  0.045338  0.290291  1
  Ni  Ni65  1  0.846153  0.362998  0.307575  1
  Ni  Ni66  1  0.008438  0.684463  0.325342  1
  Ni  Ni67  1  0.996658  0.822454  0.362199  1
  Ni  Ni68  1  0.157460  0.142828  0.380872  1
  Ni  Ni69  1  0.837010  0.503544  0.342988  1
  Ni  Ni70  1  0.912330  0.982899  0.371859  1
  Ni  Ni71  1  0.589052  0.345109  0.334287  1
  Ni  Ni72  1  0.750655  0.662854  0.352068  1
  Ni  Ni73  1  0.411354  0.982458  0.372587  1
  Ni  Ni74  1  0.090828  0.343026  0.334714  1
  Ni  Ni75  1  0.252965  0.662380  0.353258  1
  Ni  Ni76  1  0.497668  0.821748  0.362951  1
  Ni  Ni77  1  0.657488  0.142175  0.381790  1
  Ni  Ni78  1  0.337967  0.501802  0.343584  1
  Ni  Ni79  1  0.762080  0.843064  0.334748  1
  Ni  Ni80  1  0.921476  0.163996  0.352954  1
  Ni  Ni81  1  0.081699  0.483192  0.370972  1
  Ni  Ni82  1  0.168487  0.002959  0.343802  1
  Ni  Ni83  1  0.327701  0.323841  0.361663  1
  Ni  Ni84  1  0.488396  0.642678  0.379985  1
  Ni  Ni85  1  0.477856  0.782613  0.417582  1
  Ni  Ni86  1  0.637427  0.102916  0.436476  1
  Ni  Ni87  1  0.317762  0.463304  0.398709  1
  Ni  Ni88  1  0.391838  0.942735  0.427207  1
  Ni  Ni89  1  0.072244  0.303152  0.389668  1
  Ni  Ni90  1  0.232430  0.622877  0.408208  1
  Ni  Ni91  1  0.890991  0.942487  0.428202  1
  Ni  Ni92  1  0.570110  0.302126  0.391049  1
  Ni  Ni93  1  0.730584  0.622482  0.409533  1
  Ni  Ni94  1  0.977135  0.782383  0.419031  1
  Ni  Ni95  1  0.137544  0.102751  0.437415  1
  Ni  Ni96  1  0.817127  0.462022  0.400428  1
  Ni  Ni97  1  0.240863  0.802195  0.390230  1
  Ni  Ni98  1  0.400842  0.122653  0.409058  1
  Ni  Ni99  1  0.560792  0.442776  0.427690  1
  Ni  Ni100  1  0.648133  0.962523  0.399711  1
  Ni  Ni101  1  0.807797  0.282587  0.418417  1
  Ni  Ni102  1  0.967991  0.602765  0.437023  1
  Ni  Ni103  1  0.957982  0.743316  0.473705  1
  Ni  Ni104  1  0.118033  0.063724  0.492176  1
  Ni  Ni105  1  0.797970  0.423190  0.455036  1
  Ni  Ni106  1  0.871606  0.903476  0.482958  1
  Ni  Ni107  1  0.551394  0.263108  0.445733  1
  Ni  Ni108  1  0.711518  0.583315  0.464292  1
  Ni  Ni109  1  0.371321  0.902595  0.483767  1
  Ni  Ni110  1  0.051479  0.262985  0.446543  1
  Ni  Ni111  1  0.211371  0.582827  0.465065  1
  Ni  Ni112  1  0.457351  0.742713  0.474410  1
  Ni  Ni113  1  0.617365  0.062686  0.492951  1
  Ni  Ni114  1  0.297481  0.423011  0.455738  1
  Ni  Ni115  1  0.720897  0.762825  0.446344  1
  Ni  Ni116  1  0.881182  0.083052  0.464789  1
  Ni  Ni117  1  0.041451  0.403421  0.483069  1
  Ni  Ni118  1  0.127905  0.922859  0.455670  1
  Ni  Ni119  1  0.288033  0.243311  0.473870  1
  Ni  Ni120  1  0.447982  0.563409  0.492384  1
  Ni  Ni121  1  0.438013  0.703800  0.529187  1
  Ni  Ni122  1  0.597906  0.023641  0.547709  1
  Ni  Ni123  1  0.278063  0.384032  0.510485  1
  Ni  Ni124  1  0.351903  0.863616  0.538514  1
  Ni  Ni125  1  0.032019  0.223941  0.501301  1
  Ni  Ni126  1  0.192033  0.543914  0.519842  1
  Ni  Ni127  1  0.851414  0.863437  0.539216  1
  Ni  Ni128  1  0.531351  0.222903  0.502076  1
  Ni  Ni129  1  0.691402  0.543311  0.520547  1
  Ni  Ni130  1  0.937866  0.703312  0.529960  1
  Ni  Ni131  1  0.097990  0.023519  0.548519  1
  Ni  Ni132  1  0.777778  0.383151  0.511294  1
  Ni  Ni133  1  0.201403  0.723218  0.501868  1
  Ni  Ni134  1  0.361352  0.043316  0.520382  1
  Ni  Ni135  1  0.521479  0.363768  0.538582  1
  Ni  Ni136  1  0.607934  0.883205  0.511183  1
  Ni  Ni137  1  0.768203  0.203575  0.529463  1
  Ni  Ni138  1  0.928487  0.523801  0.547908  1
  Ni  Ni139  1  0.918801  0.664145  0.584719  1
  Ni  Ni140  1  0.079275  0.984500  0.603203  1
  Ni  Ni141  1  0.758393  0.344140  0.566050  1
  Ni  Ni142  1  0.832258  0.824605  0.593824  1
  Ni  Ni143  1  0.511840  0.183876  0.556837  1
  Ni  Ni144  1  0.672250  0.504244  0.575221  1
  Ni  Ni145  1  0.331622  0.823322  0.595543  1
  Ni  Ni146  1  0.011957  0.183711  0.557776  1
  Ni  Ni147  1  0.171529  0.504013  0.576670  1
  Ni  Ni148  1  0.416955  0.663750  0.586044  1
  Ni  Ni149  1  0.577140  0.983475  0.604584  1
  Ni  Ni150  1  0.257547  0.343891  0.567046  1
  Ni  Ni151  1  0.681393  0.683862  0.557230  1
  Ni  Ni152  1  0.841587  0.004040  0.575835  1
  Ni  Ni153  1  1.001251  0.324103  0.594541  1
  Ni  Ni154  1  0.088593  0.843850  0.566562  1
  Ni  Ni155  1  0.248542  0.163974  0.585194  1
  Ni  Ni156  1  0.408521  0.484432  0.604022  1
  Ni  Ni157  1  0.396419  0.624246  0.640994  1
  Ni  Ni158  1  0.558557  0.943601  0.659538  1
  Ni  Ni159  1  0.238030  0.304169  0.621665  1
  Ni  Ni160  1  0.311417  0.784825  0.650668  1
  Ni  Ni161  1  0.991896  0.144452  0.612462  1
  Ni  Ni162  1  0.151716  0.464879  0.631301  1
  Ni  Ni163  1  0.812374  0.783083  0.651264  1
  Ni  Ni164  1  0.491924  0.143799  0.613380  1
  Ni  Ni165  1  0.652727  0.464173  0.632053  1
  Ni  Ni166  1  0.898730  0.623773  0.642184  1
  Ni  Ni167  1  0.060332  0.941517  0.659965  1
  Ni  Ni168  1  0.737055  0.303728  0.622393  1
  Ni  Ni169  1  0.160988  0.643949  0.614267  1
  Ni  Ni170  1  0.321683  0.962786  0.632589  1
  Ni  Ni171  1  0.480898  0.283667  0.650450  1
  Ni  Ni172  1  0.567685  0.803435  0.623280  1
  Ni  Ni173  1  0.727908  0.122631  0.641298  1
  Ni  Ni174  1  0.887305  0.443563  0.659504  1
  Ni  Ni175  1  0.867466  0.582193  0.695247  1
  Ni  Ni176  1  0.030137  0.900317  0.712026  1
  Ni  Ni177  1  0.716777  0.263158  0.676014  1
  Ni  Ni178  1  0.797474  0.743917  0.703585  1
  Ni  Ni179  1  0.471811  0.103927  0.667294  1
  Ni  Ni180  1  0.632268  0.422717  0.685769  1
  Ni  Ni181  1  0.288986  0.745478  0.704896  1
  Ni  Ni182  1  0.967696  0.100971  0.668928  1
  Ni  Ni183  1  0.132908  0.420645  0.686996  1
  Ni  Ni184  1  0.386208  0.580651  0.696202  1
  Ni  Ni185  1  0.551809  0.897261  0.713988  1
  Ni  Ni186  1  0.221591  0.261430  0.677937  1
  Ni  Ni187  1  0.640946  0.602163  0.668910  1
  Ni  Ni188  1  0.803231  0.923628  0.686678  1
  Ni  Ni189  1  0.962266  0.241289  0.703961  1
  Ni  Ni190  1  0.048873  0.763499  0.678286  1
  Ni  Ni191  1  0.201887  0.081905  0.695793  1
  Ni  Ni192  1  0.377290  0.400120  0.712019  1
