# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03471948
_cell_length_b   12.33796743
_cell_length_c   46.65836938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.65870654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr80 Ni40'
_cell_volume   4833.81428096
_cell_formula_units_Z   40
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  0.637797  0.722984  0.299774  1
  Zr  Zr2  1  0.848801  0.144524  0.346159  1
  Zr  Zr3  1  0.280422  0.671601  0.331928  1
  Zr  Zr4  1  0.071137  0.241540  0.287393  1
  Zr  Zr5  1  0.334829  0.462413  0.309079  1
  Zr  Zr6  1  0.547001  0.879747  0.354049  1
  Zr  Zr7  1  0.978774  0.405104  0.338870  1
  Zr  Zr8  1  0.770441  0.988501  0.294166  1
  Zr  Zr9  1  0.028725  0.505177  0.277950  1
  Zr  Zr10  1  0.246001  0.939098  0.323787  1
  Zr  Zr11  1  0.679895  0.462239  0.309014  1
  Zr  Zr12  1  0.885680  0.879790  0.353983  1
  Zr  Zr13  1  0.943777  0.671577  0.331957  1
  Zr  Zr14  1  0.722817  0.241278  0.287431  1
  Zr  Zr15  1  0.161404  0.770528  0.274303  1
  Zr  Zr16  1  0.376851  0.201520  0.314581  1
  Zr  Zr17  1  0.058670  0.563878  0.392179  1
  Zr  Zr18  1  0.269605  0.985322  0.437032  1
  Zr  Zr19  1  0.700744  0.510147  0.422651  1
  Zr  Zr20  1  0.490791  0.090350  0.376422  1
  Zr  Zr21  1  0.757228  0.300035  0.399867  1
  Zr  Zr22  1  0.967946  0.720745  0.445756  1
  Zr  Zr23  1  0.399751  0.246181  0.430449  1
  Zr  Zr24  1  0.189517  0.826111  0.385155  1
  Zr  Zr25  1  0.454096  0.354984  0.368442  1
  Zr  Zr26  1  0.664129  0.774521  0.414376  1
  Zr  Zr27  1  0.096083  0.300079  0.399813  1
  Zr  Zr28  1  0.306533  0.720798  0.445699  1
  Zr  Zr29  1  0.362887  0.510097  0.422708  1
  Zr  Zr30  1  0.152632  0.090306  0.376463  1
  Zr  Zr31  1  0.584635  0.616518  0.361688  1
  Zr  Zr32  1  0.794522  0.035921  0.407671  1
  Zr  Zr33  1  0.479720  0.405147  0.482794  1
  Zr  Zr34  1  0.690498  0.826290  0.528246  1
  Zr  Zr35  1  0.122354  0.351472  0.513756  1
  Zr  Zr36  1  0.911994  0.931212  0.468045  1
  Zr  Zr37  1  0.178363  0.141199  0.490877  1
  Zr  Zr38  1  0.388569  0.561882  0.536385  1
  Zr  Zr39  1  0.820868  0.087611  0.521778  1
  Zr  Zr40  1  0.610326  0.666899  0.476252  1
  Zr  Zr41  1  0.874489  0.194893  0.459980  1
  Zr  Zr42  1  0.085130  0.615759  0.505827  1
  Zr  Zr43  1  0.516978  0.141248  0.490821  1
  Zr  Zr44  1  0.727888  0.561954  0.536333  1
  Zr  Zr45  1  0.783393  0.351427  0.513816  1
  Zr  Zr46  1  0.573114  0.931149  0.468111  1
  Zr  Zr47  1  1.004894  0.456247  0.453720  1
  Zr  Zr48  1  0.215693  0.877445  0.499151  1
  Zr  Zr49  1  0.900664  0.246324  0.574104  1
  Zr  Zr50  1  0.111080  0.666673  0.620242  1
  Zr  Zr51  1  0.542657  0.191743  0.604919  1
  Zr  Zr52  1  0.332382  0.772807  0.559490  1
  Zr  Zr53  1  0.599469  0.982551  0.582069  1
  Zr  Zr54  1  0.810521  0.402321  0.627842  1
  Zr  Zr55  1  0.242629  0.930228  0.614368  1
  Zr  Zr56  1  0.031249  0.507989  0.567655  1
  Zr  Zr57  1  0.295466  0.036040  0.551481  1
  Zr  Zr58  1  0.505938  0.456580  0.596596  1
  Zr  Zr59  1  0.938025  0.982569  0.582008  1
  Zr  Zr60  1  0.147171  0.402374  0.627785  1
  Zr  Zr61  1  0.204064  0.191733  0.604934  1
  Zr  Zr62  1  0.995141  0.772761  0.559554  1
  Zr  Zr63  1  0.425825  0.297294  0.544709  1
  Zr  Zr64  1  0.636867  0.719012  0.589727  1
  Zr  Zr65  1  0.317581  0.079207  0.671505  1
  Zr  Zr66  1  0.532846  0.509646  0.708833  1
  Zr  Zr67  1  0.965683  0.033146  0.695457  1
  Zr  Zr68  1  0.752407  0.612669  0.649791  1
  Zr  Zr69  1  0.016037  0.818323  0.673113  1
  Zr  Zr70  1  0.231607  0.262126  0.716569  1
  Zr  Zr71  1  0.664941  0.773816  0.704280  1
  Zr  Zr72  1  0.449517  0.343758  0.657716  1
  Zr  Zr73  1  0.716255  0.876739  0.643071  1
  Zr  Zr74  1  0.923619  0.291440  0.688549  1
  Zr  Zr75  1  0.358198  0.818247  0.673054  1
  Zr  Zr76  1  0.586060  0.262242  0.716568  1
  Zr  Zr77  1  0.623216  0.033140  0.695554  1
  Zr  Zr78  1  0.415850  0.612649  0.649816  1
  Zr  Zr79  1  0.845803  0.136530  0.635833  1
  Zr  Zr80  1  0.057055  0.558459  0.682591  1
  Ni  Ni81  1  0.853378  0.651464  0.276876  1
  Ni  Ni82  1  0.061093  0.066142  0.320288  1
  Ni  Ni83  1  0.957386  0.860468  0.297844  1
  Ni  Ni84  1  0.168056  0.276045  0.342711  1
  Ni  Ni85  1  0.455511  0.860417  0.297902  1
  Ni  Ni86  1  0.660674  0.276004  0.342715  1
  Ni  Ni87  1  0.350159  0.651651  0.276864  1
  Ni  Ni88  1  0.557676  0.066091  0.320312  1
  Ni  Ni89  1  0.269238  0.485530  0.366211  1
  Ni  Ni90  1  0.479419  0.905288  0.411389  1
  Ni  Ni91  1  0.373779  0.694456  0.389504  1
  Ni  Ni92  1  0.584643  0.115590  0.433723  1
  Ni  Ni93  1  0.873938  0.694452  0.389502  1
  Ni  Ni94  1  0.084557  0.115585  0.433718  1
  Ni  Ni95  1  0.769290  0.485562  0.366195  1
  Ni  Ni96  1  0.979323  0.905336  0.411368  1
  Ni  Ni97  1  0.689557  0.325470  0.456821  1
  Ni  Ni98  1  0.900420  0.746496  0.502475  1
  Ni  Ni99  1  0.794976  0.535938  0.479634  1
  Ni  Ni100  1  1.005630  0.956870  0.524956  1
  Ni  Ni101  1  0.294985  0.535923  0.479640  1
  Ni  Ni102  1  0.505644  0.956855  0.524972  1
  Ni  Ni103  1  0.189737  0.325479  0.456811  1
  Ni  Ni104  1  0.400305  0.746506  0.502466  1
  Ni  Ni105  1  0.110712  0.167018  0.547786  1
  Ni  Ni106  1  0.321536  0.588263  0.592756  1
  Ni  Ni107  1  0.215825  0.377123  0.570658  1
  Ni  Ni108  1  0.426226  0.798906  0.615868  1
  Ni  Ni109  1  0.716068  0.377096  0.570673  1
  Ni  Ni110  1  0.927859  0.798856  0.615885  1
  Ni  Ni111  1  0.610892  0.167035  0.547789  1
  Ni  Ni112  1  0.821677  0.588263  0.592765  1
  Ni  Ni113  1  0.526856  0.006099  0.639746  1
  Ni  Ni114  1  0.744806  0.428493  0.682887  1
  Ni  Ni115  1  0.634711  0.214313  0.661716  1
  Ni  Ni116  1  0.844047  0.632341  0.705605  1
  Ni  Ni117  1  0.135096  0.214355  0.661689  1
  Ni  Ni118  1  0.344608  0.632245  0.705591  1
  Ni  Ni119  1  0.034836  0.006150  0.639716  1
  Ni  Ni120  1  0.239340  0.428458  0.682880  1
