# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17751126
_cell_length_b   14.42105296
_cell_length_c   46.24752723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.63445764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr30 Ni90'
_cell_volume   3396.72446224
_cell_formula_units_Z   30
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  0.594716  0.815078  0.346256  1
  Zr  Zr2  1  0.291047  0.422327  0.285428  1
  Zr  Zr3  1  0.945108  0.114226  0.314703  1
  Zr  Zr4  1  0.070836  0.862949  0.289340  1
  Zr  Zr5  1  0.721524  0.561702  0.316404  1
  Zr  Zr6  1  0.369705  0.265363  0.351572  1
  Zr  Zr7  1  0.546224  0.912188  0.436533  1
  Zr  Zr8  1  0.244993  0.514542  0.375765  1
  Zr  Zr9  1  0.895617  0.213339  0.406116  1
  Zr  Zr10  1  0.020177  0.964499  0.380721  1
  Zr  Zr11  1  0.671474  0.661954  0.410894  1
  Zr  Zr12  1  0.321891  0.361122  0.441880  1
  Zr  Zr13  1  0.499002  0.006744  0.527726  1
  Zr  Zr14  1  0.197411  0.609876  0.466595  1
  Zr  Zr15  1  0.848029  0.308639  0.497371  1
  Zr  Zr16  1  0.972955  0.059034  0.471812  1
  Zr  Zr17  1  0.623928  0.757139  0.502167  1
  Zr  Zr18  1  0.274547  0.455903  0.532943  1
  Zr  Zr19  1  0.451781  0.101279  0.618816  1
  Zr  Zr20  1  0.150066  0.704656  0.557657  1
  Zr  Zr21  1  0.800484  0.403825  0.588644  1
  Zr  Zr22  1  0.925733  0.153590  0.563005  1
  Zr  Zr23  1  0.576341  0.852440  0.593421  1
  Zr  Zr24  1  0.226964  0.551237  0.623773  1
  Zr  Zr25  1  0.401121  0.202829  0.710198  1
  Zr  Zr26  1  0.102252  0.800415  0.647966  1
  Zr  Zr27  1  0.750433  0.504076  0.683134  1
  Zr  Zr28  1  0.877242  0.250701  0.653282  1
  Zr  Zr29  1  0.526850  0.951552  0.684835  1
  Zr  Zr30  1  0.180910  0.643451  0.714110  1
  Ni  Ni31  1  0.769307  0.964216  0.329262  1
  Ni  Ni32  1  0.419110  0.664039  0.359685  1
  Ni  Ni33  1  0.126328  0.264390  0.301360  1
  Ni  Ni34  1  0.569559  0.865510  0.291104  1
  Ni  Ni35  1  0.219374  0.566070  0.321474  1
  Ni  Ni36  1  0.868905  0.266988  0.349919  1
  Ni  Ni37  1  0.896261  0.716682  0.306897  1
  Ni  Ni38  1  0.547565  0.413652  0.335105  1
  Ni  Ni39  1  0.248960  0.016107  0.276975  1
  Ni  Ni40  1  0.095499  0.813486  0.345452  1
  Ni  Ni41  1  0.800501  0.403377  0.287145  1
  Ni  Ni42  1  0.446055  0.112310  0.315473  1
  Ni  Ni43  1  0.270926  0.964212  0.329260  1
  Ni  Ni44  1  0.921343  0.664032  0.359682  1
  Ni  Ni45  1  0.613751  0.264382  0.301356  1
  Ni  Ni46  1  0.391831  0.716694  0.306899  1
  Ni  Ni47  1  0.043570  0.413663  0.335107  1
  Ni  Ni48  1  0.739431  0.016118  0.276978  1
  Ni  Ni49  1  0.717566  0.063141  0.421025  1
  Ni  Ni50  1  0.368652  0.761368  0.451414  1
  Ni  Ni51  1  0.064737  0.365522  0.391137  1
  Ni  Ni52  1  0.519289  0.966299  0.380250  1
  Ni  Ni53  1  0.170517  0.663899  0.410801  1
  Ni  Ni54  1  0.821382  0.362170  0.441718  1
  Ni  Ni55  1  0.850042  0.812752  0.396317  1
  Ni  Ni56  1  0.501021  0.510931  0.426175  1
  Ni  Ni57  1  0.196819  0.114114  0.365105  1
  Ni  Ni58  1  0.047103  0.910405  0.436592  1
  Ni  Ni59  1  0.745349  0.513797  0.374073  1
  Ni  Ni60  1  0.396388  0.211770  0.406534  1
  Ni  Ni61  1  0.223867  0.063134  0.421022  1
  Ni  Ni62  1  0.874601  0.761359  0.451411  1
  Ni  Ni63  1  0.574228  0.365508  0.391133  1
  Ni  Ni64  1  0.342105  0.812756  0.396320  1
  Ni  Ni65  1  0.993040  0.510943  0.426183  1
  Ni  Ni66  1  0.693891  0.114119  0.365107  1
  Ni  Ni67  1  0.670086  0.158234  0.512314  1
  Ni  Ni68  1  0.321043  0.856504  0.542630  1
  Ni  Ni69  1  0.018840  0.460164  0.482113  1
  Ni  Ni70  1  0.472231  0.060515  0.471884  1
  Ni  Ni71  1  0.123202  0.758620  0.502060  1
  Ni  Ni72  1  0.773900  0.457235  0.532890  1
  Ni  Ni73  1  0.801872  0.907544  0.487224  1
  Ni  Ni74  1  0.453117  0.605614  0.517425  1
  Ni  Ni75  1  0.150915  0.209274  0.456908  1
  Ni  Ni76  1  0.999727  0.005263  0.527654  1
  Ni  Ni77  1  0.698057  0.608543  0.466648  1
  Ni  Ni78  1  0.348756  0.307158  0.497477  1
  Ni  Ni79  1  0.176360  0.158225  0.512310  1
  Ni  Ni80  1  0.827185  0.856495  0.542627  1
  Ni  Ni81  1  0.525621  0.460153  0.482108  1
  Ni  Ni82  1  0.295598  0.907553  0.487227  1
  Ni  Ni83  1  0.946336  0.605625  0.517429  1
  Ni  Ni84  1  0.644773  0.209283  0.456911  1
  Ni  Ni85  1  0.621915  0.253026  0.603220  1
  Ni  Ni86  1  0.275139  0.951664  0.634433  1
  Ni  Ni87  1  0.970937  0.554847  0.573362  1
  Ni  Ni88  1  0.424854  0.155373  0.562946  1
  Ni  Ni89  1  0.075570  0.854009  0.593004  1
  Ni  Ni90  1  0.726609  0.551981  0.625464  1
  Ni  Ni91  1  0.754391  0.002637  0.578513  1
  Ni  Ni92  1  0.407221  0.700257  0.608400  1
  Ni  Ni93  1  0.103305  0.304410  0.548124  1
  Ni  Ni94  1  0.952669  0.099480  0.619288  1
  Ni  Ni95  1  0.650576  0.703608  0.557820  1
  Ni  Ni96  1  0.301440  0.401880  0.588737  1
  Ni  Ni97  1  0.129852  0.253023  0.603218  1
  Ni  Ni98  1  0.778067  0.951659  0.634431  1
  Ni  Ni99  1  0.478918  0.554836  0.573354  1
  Ni  Ni100  1  0.248090  0.002644  0.578516  1
  Ni  Ni101  1  0.897729  0.700271  0.608405  1
  Ni  Ni102  1  0.597357  0.304419  0.548127  1
  Ni  Ni103  1  0.575696  0.349096  0.692641  1
  Ni  Ni104  1  0.222997  0.049672  0.722563  1
  Ni  Ni105  1  0.924392  0.652126  0.664433  1
  Ni  Ni106  1  0.376458  0.252292  0.654085  1
  Ni  Ni107  1  0.025903  0.953468  0.684065  1
  Ni  Ni108  1  0.671457  0.662401  0.712393  1
  Ni  Ni109  1  0.702651  0.101563  0.670276  1
  Ni  Ni110  1  0.345629  0.801388  0.698178  1
  Ni  Ni111  1  0.052847  0.401739  0.639852  1
  Ni  Ni112  1  0.902399  0.200269  0.708434  1
  Ni  Ni113  1  0.603052  0.798791  0.649619  1
  Ni  Ni114  1  0.252583  0.499708  0.678064  1
  Ni  Ni115  1  0.080127  0.349085  0.692639  1
  Ni  Ni116  1  0.732526  0.049660  0.722560  1
  Ni  Ni117  1  0.428388  0.652116  0.664431  1
  Ni  Ni118  1  0.201031  0.101566  0.670278  1
  Ni  Ni119  1  0.858207  0.801397  0.698181  1
  Ni  Ni120  1  0.550614  0.401747  0.639855  1
