# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17060154
_cell_length_b   16.35488639
_cell_length_c   48.16065765
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.85123307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr36 Ni108'
_cell_volume   4020.87745835
_cell_formula_units_Z   36
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  0.494764  0.015140  0.295038  1
  Zr  Zr2  1  0.174029  0.657268  0.270211  1
  Zr  Zr3  1  0.797529  0.410771  0.319632  1
  Zr  Zr4  1  0.914989  0.175616  0.318774  1
  Zr  Zr5  1  0.603642  0.797954  0.290558  1
  Zr  Zr6  1  0.222349  0.561241  0.343859  1
  Zr  Zr7  1  0.414470  0.176533  0.372875  1
  Zr  Zr8  1  0.107036  0.791253  0.348275  1
  Zr  Zr9  1  0.724641  0.556428  0.398340  1
  Zr  Zr10  1  0.839277  0.327609  0.393825  1
  Zr  Zr11  1  0.531083  0.943566  0.369397  1
  Zr  Zr12  1  0.148328  0.709431  0.420511  1
  Zr  Zr13  1  0.340778  0.324246  0.449812  1
  Zr  Zr14  1  0.031826  0.942062  0.424549  1
  Zr  Zr15  1  0.649643  0.706601  0.475515  1
  Zr  Zr16  1  0.765534  0.475255  0.471485  1
  Zr  Zr17  1  0.456432  0.093349  0.446049  1
  Zr  Zr18  1  0.074112  0.858187  0.497340  1
  Zr  Zr19  1  0.266383  0.473294  0.527261  1
  Zr  Zr20  1  0.957805  0.090362  0.501406  1
  Zr  Zr21  1  0.575484  0.855200  0.552697  1
  Zr  Zr22  1  0.691139  0.624303  0.548934  1
  Zr  Zr23  1  0.382274  0.241948  0.523231  1
  Zr  Zr24  1  1.000091  0.006488  0.574197  1
  Zr  Zr25  1  0.192640  0.620940  0.604921  1
  Zr  Zr26  1  0.883589  0.239118  0.578235  1
  Zr  Zr27  1  0.500834  0.004983  0.629348  1
  Zr  Zr28  1  0.617447  0.772016  0.625871  1
  Zr  Zr29  1  0.307275  0.392121  0.600405  1
  Zr  Zr30  1  0.924881  0.157297  0.650471  1
  Zr  Zr31  1  0.116928  0.772934  0.679972  1
  Zr  Zr32  1  0.809568  0.387309  0.654886  1
  Zr  Zr33  1  0.428275  0.150595  0.708188  1
  Zr  Zr34  1  0.537153  0.933409  0.703707  1
  Zr  Zr35  1  0.234387  0.537778  0.679114  1
  Zr  Zr36  1  0.857888  0.291281  0.728534  1
  Ni  Ni37  1  0.682855  0.141018  0.273288  1
  Ni  Ni38  1  0.297879  0.907535  0.323161  1
  Ni  Ni39  1  0.992951  0.532118  0.296506  1
  Ni  Ni40  1  0.415899  0.173895  0.317287  1
  Ni  Ni41  1  0.103353  0.798600  0.294751  1
  Ni  Ni42  1  0.721313  0.563367  0.342082  1
  Ni  Ni43  1  0.723722  0.057701  0.342938  1
  Ni  Ni44  1  0.416901  0.678788  0.317579  1
  Ni  Ni45  1  0.113692  0.290184  0.291973  1
  Ni  Ni46  1  0.991158  0.022345  0.298054  1
  Ni  Ni47  1  0.681665  0.642011  0.273417  1
  Ni  Ni48  1  0.298357  0.409025  0.319912  1
  Ni  Ni49  1  0.180360  0.140995  0.273277  1
  Ni  Ni50  1  0.799576  0.907518  0.323155  1
  Ni  Ni51  1  0.480578  0.532100  0.296500  1
  Ni  Ni52  1  0.224213  0.057734  0.342944  1
  Ni  Ni53  1  0.910052  0.678808  0.317582  1
  Ni  Ni54  1  0.602939  0.290229  0.291966  1
  Ni  Ni55  1  0.601277  0.294756  0.345780  1
  Ni  Ni56  1  0.220025  0.059762  0.398483  1
  Ni  Ni57  1  0.910491  0.675336  0.373268  1
  Ni  Ni58  1  0.338800  0.328640  0.393484  1
  Ni  Ni59  1  0.030117  0.945561  0.368955  1
  Ni  Ni60  1  0.648063  0.710018  0.420151  1
  Ni  Ni61  1  0.651386  0.209958  0.420272  1
  Ni  Ni62  1  0.343790  0.826201  0.394947  1
  Ni  Ni63  1  0.032958  0.443176  0.367457  1
  Ni  Ni64  1  0.915388  0.174610  0.373217  1
  Ni  Ni65  1  0.607896  0.789493  0.347094  1
  Ni  Ni66  1  0.224775  0.556098  0.398959  1
  Ni  Ni67  1  0.109269  0.294699  0.345773  1
  Ni  Ni68  1  0.725676  0.059727  0.398477  1
  Ni  Ni69  1  0.419631  0.675306  0.373262  1
  Ni  Ni70  1  0.144925  0.209986  0.420279  1
  Ni  Ni71  1  0.836047  0.826234  0.394960  1
  Ni  Ni72  1  0.530167  0.443214  0.367464  1
  Ni  Ni73  1  0.529062  0.440965  0.423906  1
  Ni  Ni74  1  0.145639  0.208260  0.475695  1
  Ni  Ni75  1  0.837069  0.824910  0.449944  1
  Ni  Ni76  1  0.264993  0.476411  0.471388  1
  Ni  Ni77  1  0.955922  0.094441  0.445795  1
  Ni  Ni78  1  0.573687  0.859092  0.497108  1
  Ni  Ni79  1  0.577139  0.358210  0.497477  1
  Ni  Ni80  1  0.268943  0.975265  0.471877  1
  Ni  Ni81  1  0.960555  0.591267  0.445885  1
  Ni  Ni82  1  0.841285  0.323172  0.450069  1
  Ni  Ni83  1  0.532391  0.940852  0.424719  1
  Ni  Ni84  1  0.150088  0.705655  0.475875  1
  Ni  Ni85  1  0.035627  0.440938  0.423898  1
  Ni  Ni86  1  0.651877  0.208231  0.475687  1
  Ni  Ni87  1  0.343723  0.824879  0.449933  1
  Ni  Ni88  1  0.071170  0.358241  0.497485  1
  Ni  Ni89  1  0.762206  0.975295  0.471886  1
  Ni  Ni90  1  0.454505  0.591297  0.445891  1
  Ni  Ni91  1  0.454778  0.590339  0.501269  1
  Ni  Ni92  1  0.071362  0.357282  0.552861  1
  Ni  Ni93  1  0.762974  0.973284  0.526869  1
  Ni  Ni94  1  0.190631  0.625377  0.548677  1
  Ni  Ni95  1  0.881829  0.242894  0.522871  1
  Ni  Ni96  1  0.499526  0.007697  0.574027  1
  Ni  Ni97  1  0.502855  0.507584  0.574839  1
  Ni  Ni98  1  0.194848  0.123639  0.548802  1
  Ni  Ni99  1  0.886278  0.740289  0.523051  1
  Ni  Ni100  1  0.766924  0.472138  0.527358  1
  Ni  Ni101  1  0.458229  0.089457  0.501638  1
  Ni  Ni102  1  0.075995  0.854108  0.552951  1
  Ni  Ni103  1  0.960747  0.590308  0.501261  1
  Ni  Ni104  1  0.577411  0.357252  0.552854  1
  Ni  Ni105  1  0.269711  0.973254  0.526860  1
  Ni  Ni106  1  0.996289  0.507611  0.574847  1
  Ni  Ni107  1  0.688194  0.123670  0.548813  1
  Ni  Ni108  1  0.380040  0.740318  0.523059  1
  Ni  Ni109  1  0.380531  0.738591  0.578474  1
  Ni  Ni110  1  0.998959  0.505373  0.631289  1
  Ni  Ni111  1  0.688127  0.122348  0.603799  1
  Ni  Ni112  1  0.116528  0.773939  0.625529  1
  Ni  Ni113  1  0.807142  0.392451  0.599787  1
  Ni  Ni114  1  0.424021  0.159056  0.651652  1
  Ni  Ni115  1  0.430640  0.653793  0.652966  1
  Ni  Ni116  1  0.121426  0.273213  0.625478  1
  Ni  Ni117  1  0.811892  0.888787  0.600263  1
  Ni  Ni118  1  0.693117  0.619909  0.605261  1
  Ni  Ni119  1  0.383854  0.238531  0.578595  1
  Ni  Ni120  1  1.001800  0.002988  0.629791  1
  Ni  Ni121  1  0.886992  0.738563  0.578467  1
  Ni  Ni122  1  0.501749  0.505335  0.631281  1
  Ni  Ni123  1  0.195870  0.122315  0.603785  1
  Ni  Ni124  1  0.922648  0.653850  0.652973  1
  Ni  Ni125  1  0.612286  0.273243  0.625484  1
  Ni  Ni126  1  0.306241  0.888822  0.600269  1
  Ni  Ni127  1  0.308195  0.890848  0.655808  1
  Ni  Ni128  1  0.918224  0.658365  0.706773  1
  Ni  Ni129  1  0.615016  0.269761  0.681167  1
  Ni  Ni130  1  0.040758  0.926204  0.700691  1
  Ni  Ni131  1  0.733559  0.539524  0.678834  1
  Ni  Ni132  1  0.350251  0.306539  0.725329  1
  Ni  Ni133  1  0.349062  0.807531  0.725458  1
  Ni  Ni134  1  0.038965  0.416431  0.702240  1
  Ni  Ni135  1  0.734038  0.041014  0.675584  1
  Ni  Ni136  1  0.616018  0.774654  0.681459  1
  Ni  Ni137  1  0.310604  0.385182  0.656664  1
  Ni  Ni138  1  0.928564  0.149949  0.703995  1
  Ni  Ni139  1  0.807704  0.890815  0.655802  1
  Ni  Ni140  1  0.428978  0.658320  0.706779  1
  Ni  Ni141  1  0.121864  0.269741  0.681164  1
  Ni  Ni142  1  0.851557  0.807554  0.725469  1
  Ni  Ni143  1  0.551339  0.416449  0.702246  1
  Ni  Ni144  1  0.232341  0.041031  0.675591  1
