# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93827313
_cell_length_b   10.21538967
_cell_length_c   50.45777723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.04942536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr36 Ni108'
_cell_volume   4139.1764269
_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  0.430111  0.697526  0.277204  1
  Zr  Zr2  1  0.663963  0.143296  0.298105  1
  Zr  Zr3  1  0.856420  0.919976  0.285968  1
  Zr  Zr4  1  0.101786  0.383230  0.311147  1
  Zr  Zr5  1  0.883563  0.601229  0.326999  1
  Zr  Zr6  1  0.114891  0.057465  0.351349  1
  Zr  Zr7  1  0.326067  0.831166  0.338161  1
  Zr  Zr8  1  0.558624  0.287788  0.363725  1
  Zr  Zr9  1  0.343586  0.515782  0.377042  1
  Zr  Zr10  1  0.577418  0.979099  0.400808  1
  Zr  Zr11  1  0.789034  0.748709  0.388377  1
  Zr  Zr12  1  0.021160  0.209618  0.412589  1
  Zr  Zr13  1  0.806976  0.438644  0.426139  1
  Zr  Zr14  1  0.037971  0.899329  0.451111  1
  Zr  Zr15  1  0.251836  0.669524  0.438156  1
  Zr  Zr16  1  0.483389  0.130265  0.463220  1
  Zr  Zr17  1  0.268392  0.359567  0.476363  1
  Zr  Zr18  1  0.499760  0.820624  0.500926  1
  Zr  Zr19  1  0.714162  0.590892  0.488247  1
  Zr  Zr20  1  0.945529  0.051949  0.512810  1
  Zr  Zr21  1  0.730532  0.281251  0.525953  1
  Zr  Zr22  1  0.962085  0.741992  0.551017  1
  Zr  Zr23  1  0.175950  0.512187  0.538063  1
  Zr  Zr24  1  0.406946  0.972872  0.563034  1
  Zr  Zr25  1  0.192761  0.201898  0.576584  1
  Zr  Zr26  1  0.424887  0.662807  0.600796  1
  Zr  Zr27  1  0.636503  0.432417  0.588365  1
  Zr  Zr28  1  0.870335  0.895734  0.612131  1
  Zr  Zr29  1  0.655297  0.123728  0.625448  1
  Zr  Zr30  1  0.887855  0.580350  0.651012  1
  Zr  Zr31  1  0.099031  0.354051  0.637825  1
  Zr  Zr32  1  0.330359  0.810287  0.662175  1
  Zr  Zr33  1  0.112135  0.028286  0.678026  1
  Zr  Zr34  1  0.357502  0.491540  0.703206  1
  Zr  Zr35  1  0.549958  0.268220  0.691069  1
  Zr  Zr36  1  0.783810  0.713990  0.711970  1
  Ni  Ni37  1  0.152323  0.650453  0.301109  1
  Ni  Ni38  1  0.952353  0.201564  0.275527  1
  Ni  Ni39  1  0.092620  0.878091  0.312043  1
  Ni  Ni40  1  0.857924  0.420209  0.287461  1
  Ni  Ni41  1  0.597376  0.874145  0.314408  1
  Ni  Ni42  1  0.380544  0.418981  0.289054  1
  Ni  Ni43  1  0.651186  0.643743  0.302381  1
  Ni  Ni44  1  0.425658  0.196134  0.278320  1
  Ni  Ni45  1  0.913898  0.685940  0.278380  1
  Ni  Ni46  1  0.162084  0.147111  0.300956  1
  Ni  Ni47  1  0.360913  0.922806  0.288561  1
  Ni  Ni48  1  0.598287  0.374988  0.312954  1
  Ni  Ni49  1  0.611187  0.558660  0.350765  1
  Ni  Ni50  1  0.390712  0.105487  0.325328  1
  Ni  Ni51  1  0.559348  0.789230  0.362743  1
  Ni  Ni52  1  0.329371  0.331581  0.336977  1
  Ni  Ni53  1  0.056916  0.787731  0.363731  1
  Ni  Ni54  1  0.828103  0.328379  0.337556  1
  Ni  Ni55  1  0.113096  0.556509  0.351756  1
  Ni  Ni56  1  0.888473  0.102831  0.325293  1
  Ni  Ni57  1  0.387537  0.602181  0.326217  1
  Ni  Ni58  1  0.620531  0.061797  0.349916  1
  Ni  Ni59  1  0.824389  0.832409  0.336925  1
  Ni  Ni60  1  0.057024  0.289614  0.361935  1
  Ni  Ni61  1  0.074555  0.478472  0.400782  1
  Ni  Ni62  1  0.844528  0.018942  0.375083  1
  Ni  Ni63  1  0.021794  0.709571  0.412942  1
  Ni  Ni64  1  0.792111  0.249495  0.387562  1
  Ni  Ni65  1  0.521335  0.708668  0.413643  1
  Ni  Ni66  1  0.289860  0.247834  0.388734  1
  Ni  Ni67  1  0.574681  0.477424  0.401908  1
  Ni  Ni68  1  0.345630  0.017012  0.376972  1
  Ni  Ni69  1  0.846120  0.516706  0.376169  1
  Ni  Ni70  1  0.078488  0.977990  0.401306  1
  Ni  Ni71  1  0.286883  0.748274  0.388177  1
  Ni  Ni72  1  0.519127  0.209408  0.413500  1
  Ni  Ni73  1  0.537243  0.400257  0.451001  1
  Ni  Ni74  1  0.306898  0.939484  0.425845  1
  Ni  Ni75  1  0.484282  0.631191  0.462994  1
  Ni  Ni76  1  0.253244  0.170590  0.437945  1
  Ni  Ni77  1  0.983565  0.629361  0.463551  1
  Ni  Ni78  1  0.753268  0.169126  0.438421  1
  Ni  Ni79  1  0.036434  0.398257  0.451398  1
  Ni  Ni80  1  0.806165  0.938698  0.426260  1
  Ni  Ni81  1  0.308900  0.438360  0.426640  1
  Ni  Ni82  1  0.540814  0.899777  0.450920  1
  Ni  Ni83  1  0.749603  0.670004  0.438296  1
  Ni  Ni84  1  0.980995  0.130719  0.462852  1
  Ni  Ni85  1  0.999025  0.321484  0.500699  1
  Ni  Ni86  1  0.768481  0.861197  0.475620  1
  Ni  Ni87  1  0.946142  0.552407  0.512858  1
  Ni  Ni88  1  0.715564  0.091951  0.487728  1
  Ni  Ni89  1  0.445440  0.550319  0.513554  1
  Ni  Ni90  1  0.214897  0.090032  0.488474  1
  Ni  Ni91  1  0.498358  0.319565  0.501445  1
  Ni  Ni92  1  0.267779  0.859109  0.476316  1
  Ni  Ni93  1  0.771286  0.360018  0.476066  1
  Ni  Ni94  1  1.002540  0.820741  0.501041  1
  Ni  Ni95  1  0.211382  0.590775  0.488132  1
  Ni  Ni96  1  0.442635  0.051498  0.513107  1
  Ni  Ni97  1  0.460654  0.242390  0.550752  1
  Ni  Ni98  1  0.230356  0.782155  0.525622  1
  Ni  Ni99  1  0.407756  0.472818  0.562914  1
  Ni  Ni100  1  0.177487  0.013259  0.537776  1
  Ni  Ni101  1  0.907023  0.472032  0.563328  1
  Ni  Ni102  1  0.676679  0.011259  0.538172  1
  Ni  Ni103  1  0.960678  0.240926  0.551228  1
  Ni  Ni104  1  0.729640  0.780324  0.526179  1
  Ni  Ni105  1  0.232927  0.280797  0.526321  1
  Ni  Ni106  1  0.464318  0.741511  0.550877  1
  Ni  Ni107  1  0.673108  0.511739  0.538253  1
  Ni  Ni108  1  0.905021  0.973156  0.562533  1
  Ni  Ni109  1  0.924062  0.163682  0.600439  1
  Ni  Ni110  1  0.692586  0.702848  0.575530  1
  Ni  Ni111  1  0.868291  0.394504  0.612201  1
  Ni  Ni112  1  0.639240  0.934092  0.587266  1
  Ni  Ni113  1  0.369393  0.392574  0.614090  1
  Ni  Ni114  1  0.139366  0.933044  0.588392  1
  Ni  Ni115  1  0.421810  0.162021  0.601611  1
  Ni  Ni116  1  0.192128  0.701945  0.576231  1
  Ni  Ni117  1  0.694795  0.202108  0.575673  1
  Ni  Ni118  1  0.927038  0.663242  0.600996  1
  Ni  Ni119  1  0.135433  0.433526  0.587868  1
  Ni  Ni120  1  0.367801  0.894810  0.613004  1
  Ni  Ni121  1  0.385818  0.083137  0.651618  1
  Ni  Ni122  1  0.157005  0.623785  0.625442  1
  Ni  Ni123  1  0.325448  0.308685  0.663880  1
  Ni  Ni124  1  0.100826  0.855007  0.637417  1
  Ni  Ni125  1  0.823210  0.306029  0.663845  1
  Ni  Ni126  1  0.602735  0.852856  0.638408  1
  Ni  Ni127  1  0.884550  0.079935  0.652197  1
  Ni  Ni128  1  0.654574  0.622286  0.626430  1
  Ni  Ni129  1  0.156897  0.121902  0.627238  1
  Ni  Ni130  1  0.389532  0.579107  0.652248  1
  Ni  Ni131  1  0.593390  0.349719  0.639257  1
  Ni  Ni132  1  0.826384  0.809335  0.662957  1
  Ni  Ni133  1  0.833378  0.992535  0.700120  1
  Ni  Ni134  1  0.616546  0.537371  0.674765  1
  Ni  Ni135  1  0.788264  0.215382  0.710853  1
  Ni  Ni136  1  0.562736  0.767773  0.686792  1
  Ni  Ni137  1  0.261569  0.209952  0.713647  1
  Ni  Ni138  1  0.061598  0.761063  0.688065  1
  Ni  Ni139  1  0.355997  0.991307  0.701713  1
  Ni  Ni140  1  0.121301  0.533425  0.677130  1
  Ni  Ni141  1  0.615635  0.036528  0.676219  1
  Ni  Ni142  1  0.853009  0.488710  0.700612  1
  Ni  Ni143  1  0.051837  0.264405  0.688217  1
  Ni  Ni144  1  0.300024  0.725576  0.710794  1
