# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13799533
_cell_length_b   16.08347295
_cell_length_c   48.84349383
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr36 Ni108'
_cell_volume   4036.27046699
_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  0.256289  0.191917  0.275154  1
  Zr  Zr2  1  0.256289  0.406632  0.329307  1
  Zr  Zr3  1  0.756289  0.800890  0.300549  1
  Zr  Zr4  1  0.756289  0.345604  0.278475  1
  Zr  Zr5  1  0.756289  0.568729  0.330571  1
  Zr  Zr6  1  0.256289  0.952883  0.302107  1
  Zr  Zr7  1  0.756289  0.018391  0.354086  1
  Zr  Zr8  1  0.756289  0.243402  0.405641  1
  Zr  Zr9  1  0.256289  0.631007  0.380174  1
  Zr  Zr10  1  0.256289  0.181095  0.356015  1
  Zr  Zr11  1  0.256289  0.407384  0.407178  1
  Zr  Zr12  1  0.756289  0.795569  0.380804  1
  Zr  Zr13  1  0.256289  0.857894  0.430633  1
  Zr  Zr14  1  0.256289  0.083233  0.482520  1
  Zr  Zr15  1  0.756289  0.470277  0.456964  1
  Zr  Zr16  1  0.756289  0.021101  0.432295  1
  Zr  Zr17  1  0.756289  0.246902  0.484005  1
  Zr  Zr18  1  0.256289  0.634864  0.458061  1
  Zr  Zr19  1  0.756289  0.697580  0.507941  1
  Zr  Zr20  1  0.756289  0.923381  0.559651  1
  Zr  Zr21  1  0.256289  0.309618  0.533884  1
  Zr  Zr22  1  0.256289  0.861249  0.509426  1
  Zr  Zr23  1  0.256289  0.086588  0.561313  1
  Zr  Zr24  1  0.756289  0.474206  0.534982  1
  Zr  Zr25  1  0.256289  0.537098  0.584768  1
  Zr  Zr26  1  0.256289  0.763387  0.635930  1
  Zr  Zr27  1  0.756289  0.148913  0.611141  1
  Zr  Zr28  1  0.756289  0.701080  0.586305  1
  Zr  Zr29  1  0.756289  0.926092  0.637859  1
  Zr  Zr30  1  0.256289  0.313475  0.611771  1
  Zr  Zr31  1  0.756289  0.375753  0.661375  1
  Zr  Zr32  1  0.756289  0.598878  0.713470  1
  Zr  Zr33  1  0.256289  0.991599  0.689839  1
  Zr  Zr34  1  0.256289  0.537850  0.662639  1
  Zr  Zr35  1  0.256289  0.752566  0.716792  1
  Zr  Zr36  1  0.756289  0.143592  0.691396  1
  Ni  Ni37  1  0.011535  0.101567  0.314645  1
  Ni  Ni38  1  0.508098  0.491589  0.290132  1
  Ni  Ni39  1  0.509124  0.713084  0.340286  1
  Ni  Ni40  1  0.256289  0.352369  0.281157  1
  Ni  Ni41  1  0.256289  0.572267  0.329309  1
  Ni  Ni42  1  0.756289  0.965284  0.304635  1
  Ni  Ni43  1  0.508555  0.263347  0.317173  1
  Ni  Ni44  1  0.006572  0.652710  0.292178  1
  Ni  Ni45  1  0.508654  0.048831  0.267552  1
  Ni  Ni46  1  0.756289  0.180236  0.280130  1
  Ni  Ni47  1  0.756289  0.403334  0.328655  1
  Ni  Ni48  1  0.256289  0.786701  0.305067  1
  Ni  Ni49  1  0.501043  0.101567  0.314645  1
  Ni  Ni50  1  1.004480  0.491589  0.290132  1
  Ni  Ni51  1  1.003454  0.713084  0.340286  1
  Ni  Ni52  1  1.004023  0.263347  0.317173  1
  Ni  Ni53  1  0.506006  0.652710  0.292178  1
  Ni  Ni54  1  1.003924  0.048831  0.267552  1
  Ni  Ni55  1  0.502564  0.938153  0.391892  1
  Ni  Ni56  1  1.003280  0.323922  0.367096  1
  Ni  Ni57  1  1.003250  0.550973  0.418429  1
  Ni  Ni58  1  0.756289  0.182911  0.354275  1
  Ni  Ni59  1  0.756289  0.408173  0.406776  1
  Ni  Ni60  1  0.256289  0.795811  0.379644  1
  Ni  Ni61  1  0.009101  0.100796  0.394015  1
  Ni  Ni62  1  0.510981  0.487335  0.369185  1
  Ni  Ni63  1  0.008201  0.875033  0.341921  1
  Ni  Ni64  1  0.256289  0.015989  0.353078  1
  Ni  Ni65  1  0.256289  0.242687  0.406194  1
  Ni  Ni66  1  0.756289  0.630772  0.380473  1
  Ni  Ni67  1  0.010014  0.938153  0.391892  1
  Ni  Ni68  1  0.509298  0.323922  0.367096  1
  Ni  Ni69  1  0.509327  0.550973  0.418429  1
  Ni  Ni70  1  0.503477  0.100796  0.394015  1
  Ni  Ni71  1  1.001597  0.487335  0.369185  1
  Ni  Ni72  1  0.504377  0.875033  0.341921  1
  Ni  Ni73  1  1.003726  0.778176  0.469298  1
  Ni  Ni74  1  0.503491  0.163656  0.443966  1
  Ni  Ni75  1  0.503512  0.390236  0.495291  1
  Ni  Ni76  1  0.256289  0.022098  0.431882  1
  Ni  Ni77  1  0.256289  0.247976  0.483544  1
  Ni  Ni78  1  0.756289  0.635871  0.457604  1
  Ni  Ni79  1  0.508975  0.940799  0.470973  1
  Ni  Ni80  1  0.009024  0.326913  0.445716  1
  Ni  Ni81  1  0.509145  0.715156  0.419730  1
  Ni  Ni82  1  0.756289  0.856988  0.431285  1
  Ni  Ni83  1  0.756289  0.082185  0.483016  1
  Ni  Ni84  1  0.256289  0.469393  0.457459  1
  Ni  Ni85  1  0.508852  0.778176  0.469298  1
  Ni  Ni86  1  0.009087  0.163656  0.443966  1
  Ni  Ni87  1  0.009065  0.390236  0.495291  1
  Ni  Ni88  1  1.003603  0.940799  0.470973  1
  Ni  Ni89  1  0.503554  0.326913  0.445716  1
  Ni  Ni90  1  1.003432  0.715156  0.419730  1
  Ni  Ni91  1  0.503554  0.617570  0.546230  1
  Ni  Ni92  1  1.003603  0.003683  0.520973  1
  Ni  Ni93  1  1.003432  0.229326  0.572216  1
  Ni  Ni94  1  0.756289  0.862297  0.508929  1
  Ni  Ni95  1  0.756289  0.087494  0.560660  1
  Ni  Ni96  1  0.256289  0.475089  0.534487  1
  Ni  Ni97  1  0.009087  0.780826  0.547980  1
  Ni  Ni98  1  0.508852  0.166307  0.522648  1
  Ni  Ni99  1  0.009065  0.554246  0.496654  1
  Ni  Ni100  1  0.256289  0.696506  0.508402  1
  Ni  Ni101  1  0.256289  0.922384  0.560063  1
  Ni  Ni102  1  0.756289  0.308612  0.534342  1
  Ni  Ni103  1  0.009024  0.617570  0.546230  1
  Ni  Ni104  1  0.508975  0.003683  0.520973  1
  Ni  Ni105  1  0.509145  0.229326  0.572216  1
  Ni  Ni106  1  0.503491  0.780826  0.547980  1
  Ni  Ni107  1  1.003726  0.166307  0.522648  1
  Ni  Ni108  1  0.503512  0.554246  0.496654  1
  Ni  Ni109  1  1.001597  0.457147  0.622761  1
  Ni  Ni110  1  0.503477  0.843686  0.597931  1
  Ni  Ni111  1  0.504377  0.069449  0.650025  1
  Ni  Ni112  1  0.256289  0.701795  0.585752  1
  Ni  Ni113  1  0.256289  0.928493  0.638867  1
  Ni  Ni114  1  0.756289  0.313710  0.611473  1
  Ni  Ni115  1  0.509298  0.620560  0.624850  1
  Ni  Ni116  1  0.010014  0.006329  0.600053  1
  Ni  Ni117  1  0.509327  0.393509  0.573517  1
  Ni  Ni118  1  0.756289  0.536309  0.585169  1
  Ni  Ni119  1  0.756289  0.761571  0.637670  1
  Ni  Ni120  1  0.256289  0.148671  0.612302  1
  Ni  Ni121  1  0.510981  0.457147  0.622761  1
  Ni  Ni122  1  0.009101  0.843686  0.597931  1
  Ni  Ni123  1  0.008201  0.069449  0.650025  1
  Ni  Ni124  1  1.003280  0.620560  0.624850  1
  Ni  Ni125  1  0.502564  0.006329  0.600053  1
  Ni  Ni126  1  1.003250  0.393509  0.573517  1
  Ni  Ni127  1  0.506006  0.291772  0.699768  1
  Ni  Ni128  1  1.004023  0.681135  0.674773  1
  Ni  Ni129  1  1.003924  0.895651  0.724394  1
  Ni  Ni130  1  0.756289  0.541148  0.663290  1
  Ni  Ni131  1  0.756289  0.764246  0.711816  1
  Ni  Ni132  1  0.256289  0.157781  0.686878  1
  Ni  Ni133  1  1.004480  0.452893  0.701813  1
  Ni  Ni134  1  0.501043  0.842915  0.677301  1
  Ni  Ni135  1  1.003454  0.231398  0.651660  1
  Ni  Ni136  1  0.256289  0.372215  0.662637  1
  Ni  Ni137  1  0.256289  0.592113  0.710789  1
  Ni  Ni138  1  0.756289  0.979199  0.687310  1
  Ni  Ni139  1  0.006572  0.291772  0.699768  1
  Ni  Ni140  1  0.508555  0.681135  0.674773  1
  Ni  Ni141  1  0.508654  0.895651  0.724394  1
  Ni  Ni142  1  0.508098  0.452893  0.701813  1
  Ni  Ni143  1  0.011535  0.842915  0.677301  1
  Ni  Ni144  1  0.509124  0.231398  0.651660  1
