# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41475210
_cell_length_b   20.35340919
_cell_length_c   45.38193347
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr96 Ni48'
_cell_volume   5925.15936713
_cell_formula_units_Z   48
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  0.342285  0.236704  0.330256  1
  Zr  Zr2  1  0.321648  0.633189  0.292096  1
  Zr  Zr3  1  0.332161  0.837103  0.365729  1
  Zr  Zr4  1  0.177154  0.137960  0.385649  1
  Zr  Zr5  1  0.171456  0.536255  0.348329  1
  Zr  Zr6  1  0.184792  0.935717  0.309408  1
  Zr  Zr7  1  0.340474  0.068635  0.330403  1
  Zr  Zr8  1  0.329583  0.463459  0.294075  1
  Zr  Zr9  1  0.332456  0.670731  0.366222  1
  Zr  Zr10  1  0.183027  0.159893  0.277191  1
  Zr  Zr11  1  0.173564  0.370004  0.348801  1
  Zr  Zr12  1  0.153467  0.770461  0.309529  1
  Zr  Zr13  1  0.838749  0.036863  0.348259  1
  Zr  Zr14  1  0.823601  0.434972  0.309669  1
  Zr  Zr15  1  0.829969  0.638188  0.385012  1
  Zr  Zr16  1  0.688241  0.134606  0.292105  1
  Zr  Zr17  1  0.677465  0.337320  0.366356  1
  Zr  Zr18  1  0.664206  0.736660  0.328190  1
  Zr  Zr19  1  0.853735  0.270728  0.310387  1
  Zr  Zr20  1  0.834576  0.655475  0.277282  1
  Zr  Zr21  1  0.834407  0.869521  0.348108  1
  Zr  Zr22  1  0.678220  0.170252  0.366997  1
  Zr  Zr23  1  0.666855  0.567760  0.330078  1
  Zr  Zr24  1  0.677084  0.964210  0.294202  1
  Zr  Zr25  1  0.333280  0.037326  0.441006  1
  Zr  Zr26  1  0.335476  0.437493  0.404107  1
  Zr  Zr27  1  0.332862  0.637176  0.478085  1
  Zr  Zr28  1  0.173860  0.936936  0.496480  1
  Zr  Zr29  1  0.175983  0.337520  0.459803  1
  Zr  Zr30  1  0.172450  0.737422  0.422048  1
  Zr  Zr31  1  0.332414  0.869667  0.441018  1
  Zr  Zr32  1  0.336526  0.270355  0.404445  1
  Zr  Zr33  1  0.334393  0.470083  0.478712  1
  Zr  Zr34  1  0.174293  0.969661  0.385495  1
  Zr  Zr35  1  0.175341  0.170045  0.460198  1
  Zr  Zr36  1  0.173527  0.570409  0.422579  1
  Zr  Zr37  1  0.832186  0.837055  0.459189  1
  Zr  Zr38  1  0.835031  0.237723  0.422553  1
  Zr  Zr39  1  0.834586  0.437309  0.496932  1
  Zr  Zr40  1  0.673624  0.937612  0.403830  1
  Zr  Zr41  1  0.675147  0.137361  0.478181  1
  Zr  Zr42  1  0.675221  0.537546  0.441042  1
  Zr  Zr43  1  0.834850  0.070007  0.422878  1
  Zr  Zr44  1  0.833618  0.469803  0.385552  1
  Zr  Zr45  1  0.832549  0.670148  0.459744  1
  Zr  Zr46  1  0.673924  0.969609  0.478451  1
  Zr  Zr47  1  0.676137  0.370151  0.441581  1
  Zr  Zr48  1  0.671747  0.770302  0.403439  1
  Zr  Zr49  1  0.332172  0.836811  0.552304  1
  Zr  Zr50  1  0.334384  0.237354  0.515434  1
  Zr  Zr51  1  0.336562  0.436661  0.590446  1
  Zr  Zr52  1  0.174691  0.737159  0.608334  1
  Zr  Zr53  1  0.173459  0.136955  0.571007  1
  Zr  Zr54  1  0.175759  0.536815  0.534141  1
  Zr  Zr55  1  0.333088  0.669417  0.552843  1
  Zr  Zr56  1  0.333162  0.069602  0.515704  1
  Zr  Zr57  1  0.334685  0.269351  0.590055  1
  Zr  Zr58  1  0.173723  0.769654  0.496953  1
  Zr  Zr59  1  0.173277  0.969239  0.571332  1
  Zr  Zr60  1  0.176123  0.369908  0.534696  1
  Zr  Zr61  1  0.834781  0.636554  0.571306  1
  Zr  Zr62  1  0.832968  0.036917  0.533687  1
  Zr  Zr63  1  0.834015  0.237301  0.608390  1
  Zr  Zr64  1  0.673916  0.736879  0.515173  1
  Zr  Zr65  1  0.671783  0.936608  0.589440  1
  Zr  Zr66  1  0.675894  0.337295  0.552867  1
  Zr  Zr67  1  0.832326  0.869442  0.534082  1
  Zr  Zr68  1  0.834448  0.270027  0.497405  1
  Zr  Zr69  1  0.835859  0.469541  0.571838  1
  Zr  Zr70  1  0.672832  0.769469  0.589779  1
  Zr  Zr71  1  0.675029  0.169636  0.552879  1
  Zr  Zr72  1  0.675447  0.569786  0.515800  1
  Zr  Zr73  1  0.341454  0.639203  0.663807  1
  Zr  Zr74  1  0.330089  0.036711  0.626888  1
  Zr  Zr75  1  0.331224  0.242753  0.699683  1
  Zr  Zr76  1  0.173733  0.551488  0.716603  1
  Zr  Zr77  1  0.154574  0.936234  0.683498  1
  Zr  Zr78  1  0.173902  0.337442  0.645777  1
  Zr  Zr79  1  0.344102  0.470303  0.665695  1
  Zr  Zr80  1  0.330844  0.869642  0.627530  1
  Zr  Zr81  1  0.320068  0.072356  0.701780  1
  Zr  Zr82  1  0.178340  0.568774  0.608873  1
  Zr  Zr83  1  0.184708  0.771990  0.684216  1
  Zr  Zr84  1  0.169559  0.170100  0.645626  1
  Zr  Zr85  1  0.854842  0.436501  0.684356  1
  Zr  Zr86  1  0.834745  0.836958  0.645085  1
  Zr  Zr87  1  0.825281  0.047069  0.716694  1
  Zr  Zr88  1  0.675852  0.536232  0.627663  1
  Zr  Zr89  1  0.678725  0.743503  0.699810  1
  Zr  Zr90  1  0.667835  0.138327  0.663483  1
  Zr  Zr91  1  0.836853  0.670708  0.645556  1
  Zr  Zr92  1  0.831154  0.069003  0.608236  1
  Zr  Zr93  1  0.823517  0.271245  0.684477  1
  Zr  Zr94  1  0.686661  0.573773  0.701789  1
  Zr  Zr95  1  0.666024  0.970259  0.663629  1
  Zr  Zr96  1  0.676148  0.369860  0.628156  1
  Ni  Ni97  1  0.502395  0.253391  0.277951  1
  Ni  Ni98  1  0.504757  0.452957  0.348782  1
  Ni  Ni99  1  0.501412  0.853177  0.312989  1
  Ni  Ni100  1  0.505415  0.352178  0.312958  1
  Ni  Ni101  1  0.504528  0.554521  0.386078  1
  Ni  Ni102  1  0.503958  0.953606  0.348706  1
  Ni  Ni103  1  0.006125  0.255009  0.367571  1
  Ni  Ni104  1  1.001266  0.654369  0.330467  1
  Ni  Ni105  1  1.003034  0.050911  0.295834  1
  Ni  Ni106  1  0.007044  0.154647  0.330786  1
  Ni  Ni107  1  0.007721  0.549488  0.296116  1
  Ni  Ni108  1  1.000699  0.754880  0.366378  1
  Ni  Ni109  1  0.504352  0.054565  0.386195  1
  Ni  Ni110  1  0.505429  0.253945  0.460078  1
  Ni  Ni111  1  0.502330  0.654311  0.422517  1
  Ni  Ni112  1  0.505860  0.154187  0.422982  1
  Ni  Ni113  1  0.505093  0.353743  0.497231  1
  Ni  Ni114  1  0.502752  0.753650  0.459526  1
  Ni  Ni115  1  1.003967  0.053474  0.478356  1
  Ni  Ni116  1  0.005174  0.454100  0.441356  1
  Ni  Ni117  1  1.002424  0.853832  0.403761  1
  Ni  Ni118  1  1.003521  0.953546  0.441124  1
  Ni  Ni119  1  0.005967  0.354298  0.404470  1
  Ni  Ni120  1  0.004471  0.553714  0.478391  1
  Ni  Ni121  1  0.503216  0.853219  0.496654  1
  Ni  Ni122  1  0.502449  0.052775  0.570903  1
  Ni  Ni123  1  0.505557  0.453312  0.534359  1
  Ni  Ni124  1  0.502879  0.953017  0.533807  1
  Ni  Ni125  1  0.503957  0.152397  0.607691  1
  Ni  Ni126  1  0.505978  0.552651  0.571369  1
  Ni  Ni127  1  1.002341  0.852665  0.589415  1
  Ni  Ni128  1  0.004788  0.253417  0.552761  1
  Ni  Ni129  1  1.003838  0.653248  0.515494  1
  Ni  Ni130  1  1.003134  0.752862  0.552529  1
  Ni  Ni131  1  0.004342  0.153488  0.515530  1
  Ni  Ni132  1  0.005884  0.353131  0.590124  1
  Ni  Ni133  1  0.503781  0.652442  0.607807  1
  Ni  Ni134  1  0.502894  0.854784  0.680928  1
  Ni  Ni135  1  0.504351  0.253356  0.645179  1
  Ni  Ni136  1  0.503552  0.754005  0.645104  1
  Ni  Ni137  1  0.505914  0.953571  0.715934  1
  Ni  Ni138  1  0.506897  0.353786  0.680896  1
  Ni  Ni139  1  1.000588  0.657474  0.697769  1
  Ni  Ni140  1  1.001265  0.052315  0.663100  1
  Ni  Ni141  1  0.007610  0.452082  0.627507  1
  Ni  Ni142  1  0.007043  0.552594  0.663419  1
  Ni  Ni143  1  1.002184  0.951953  0.626314  1
  Ni  Ni144  1  0.005275  0.156051  0.698051  1
