# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24004419
_cell_length_b   23.04211885
_cell_length_c   49.27096535
_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   5949.06114545
_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  0.504292  0.746842  0.339243  1
  Zr  Zr2  1  0.504292  0.361293  0.378866  1
  Zr  Zr3  1  0.504292  0.133737  0.302865  1
  Zr  Zr4  1  0.504292  0.858297  0.295745  1
  Zr  Zr5  1  0.504292  0.473373  0.334865  1
  Zr  Zr6  1  0.504292  0.091198  0.370588  1
  Zr  Zr7  1  0.004292  0.795439  0.302950  1
  Zr  Zr8  1  0.004292  0.412718  0.341350  1
  Zr  Zr9  1  0.004292  0.027865  0.375795  1
  Zr  Zr10  1  0.004292  0.759010  0.369863  1
  Zr  Zr11  1  0.004292  0.522224  0.296495  1
  Zr  Zr12  1  0.004292  0.145070  0.334204  1
  Zr  Zr13  1  0.004292  0.553157  0.359077  1
  Zr  Zr14  1  0.004292  0.322229  0.287472  1
  Zr  Zr15  1  0.004292  0.938710  0.315099  1
  Zr  Zr16  1  0.004292  0.665760  0.315671  1
  Zr  Zr17  1  0.004292  0.282510  0.353385  1
  Zr  Zr18  1  1.004292  0.066134  0.280156  1
  Zr  Zr19  1  0.504292  0.603820  0.322637  1
  Zr  Zr20  1  0.504292  0.221574  0.358879  1
  Zr  Zr21  1  0.504292  0.995401  0.284527  1
  Zr  Zr22  1  0.504292  0.714839  0.278332  1
  Zr  Zr23  1  0.504292  0.333107  0.316785  1
  Zr  Zr24  1  0.504292  0.950505  0.349821  1
  Zr  Zr25  1  0.504292  0.593354  0.452124  1
  Zr  Zr26  1  0.504292  0.206279  0.488712  1
  Zr  Zr27  1  0.504292  0.976434  0.413308  1
  Zr  Zr28  1  0.504292  0.707317  0.407529  1
  Zr  Zr29  1  0.504292  0.321676  0.445981  1
  Zr  Zr30  1  0.504292  0.936227  0.481369  1
  Zr  Zr31  1  0.004292  0.644525  0.414406  1
  Zr  Zr32  1  0.004292  0.258901  0.451846  1
  Zr  Zr33  1  0.004292  0.874408  0.488403  1
  Zr  Zr34  1  0.004292  0.604797  0.482204  1
  Zr  Zr35  1  0.004292  0.373689  0.408495  1
  Zr  Zr36  1  0.004292  0.987803  0.443671  1
  Zr  Zr37  1  0.004292  0.400283  0.470781  1
  Zr  Zr38  1  0.004292  0.168686  0.396516  1
  Zr  Zr39  1  0.004292  0.785425  0.432607  1
  Zr  Zr40  1  0.004292  0.514780  0.427200  1
  Zr  Zr41  1  0.004292  0.127970  0.463405  1
  Zr  Zr42  1  0.004292  0.898910  0.387911  1
  Zr  Zr43  1  0.504292  0.452453  0.433685  1
  Zr  Zr44  1  0.504292  0.065920  0.469330  1
  Zr  Zr45  1  0.504292  0.837197  0.394908  1
  Zr  Zr46  1  0.504292  0.566096  0.389336  1
  Zr  Zr47  1  0.504292  0.180572  0.426227  1
  Zr  Zr48  1  0.504292  0.796151  0.463005  1
  Zr  Zr49  1  0.504292  0.438223  0.562928  1
  Zr  Zr50  1  0.504292  0.052298  0.600190  1
  Zr  Zr51  1  0.504292  0.822687  0.525875  1
  Zr  Zr52  1  0.504292  0.553126  0.519846  1
  Zr  Zr53  1  0.504292  0.165987  0.555833  1
  Zr  Zr54  1  0.504292  0.782375  0.594222  1
  Zr  Zr55  1  0.004292  0.490847  0.525749  1
  Zr  Zr56  1  0.004292  0.103791  0.562509  1
  Zr  Zr57  1  0.004292  0.720574  0.601176  1
  Zr  Zr58  1  0.004292  0.450371  0.592485  1
  Zr  Zr59  1  0.004292  0.218162  0.518617  1
  Zr  Zr60  1  0.004292  0.833621  0.556310  1
  Zr  Zr61  1  0.004292  0.244681  0.580867  1
  Zr  Zr62  1  0.004292  0.014245  0.506922  1
  Zr  Zr63  1  0.004292  0.631372  0.545336  1
  Zr  Zr64  1  0.004292  0.359689  0.537475  1
  Zr  Zr65  1  0.004292  0.974213  0.574629  1
  Zr  Zr66  1  0.004292  0.744438  0.500434  1
  Zr  Zr67  1  0.504292  0.296757  0.543373  1
  Zr  Zr68  1  0.504292  0.911787  0.581220  1
  Zr  Zr69  1  0.504292  0.682855  0.507526  1
  Zr  Zr70  1  0.504292  0.412304  0.500612  1
  Zr  Zr71  1  0.504292  0.025575  0.537089  1
  Zr  Zr72  1  0.504292  0.642956  0.575670  1
  Zr  Zr73  1  0.504292  0.286473  0.672261  1
  Zr  Zr74  1  0.504292  0.902874  0.709533  1
  Zr  Zr75  1  0.504292  0.669040  0.639020  1
  Zr  Zr76  1  0.504292  0.397495  0.630086  1
  Zr  Zr77  1  0.504292  0.014756  0.667534  1
  Zr  Zr78  1  0.504292  0.624000  0.704255  1
  Zr  Zr79  1  0.004292  0.336646  0.635542  1
  Zr  Zr80  1  0.004292  0.954164  0.674075  1
  Zr  Zr81  1  1.004292  0.553580  0.708596  1
  Zr  Zr82  1  0.004292  0.298296  0.701404  1
  Zr  Zr83  1  0.004292  0.065200  0.631103  1
  Zr  Zr84  1  0.004292  0.681147  0.673594  1
  Zr  Zr85  1  0.004292  0.096480  0.692510  1
  Zr  Zr86  1  0.004292  0.860601  0.619177  1
  Zr  Zr87  1  0.004292  0.474312  0.654691  1
  Zr  Zr88  1  0.004292  0.206490  0.647992  1
  Zr  Zr89  1  0.004292  0.825360  0.686355  1
  Zr  Zr90  1  0.004292  0.591450  0.613064  1
  Zr  Zr91  1  0.504292  0.144377  0.655088  1
  Zr  Zr92  1  0.504292  0.760615  0.693081  1
  Zr  Zr93  1  0.504292  0.528061  0.618314  1
  Zr  Zr94  1  0.504292  0.257012  0.610503  1
  Zr  Zr95  1  0.504292  0.873552  0.650063  1
  Zr  Zr96  1  0.504292  0.485695  0.686033  1
  Ni  Ni97  1  0.754508  0.656907  0.365396  1
  Ni  Ni98  1  0.754627  0.421793  0.292852  1
  Ni  Ni99  1  0.754608  0.041879  0.326701  1
  Ni  Ni100  1  0.254076  0.656907  0.365396  1
  Ni  Ni101  1  0.253957  0.421793  0.292852  1
  Ni  Ni102  1  0.253976  0.041879  0.326701  1
  Ni  Ni103  1  0.252120  0.850663  0.344325  1
  Ni  Ni104  1  0.255278  0.612382  0.274778  1
  Ni  Ni105  1  0.252125  0.232329  0.309668  1
  Ni  Ni106  1  0.756464  0.850663  0.344325  1
  Ni  Ni107  1  0.753306  0.612382  0.274778  1
  Ni  Ni108  1  0.756459  0.232329  0.309668  1
  Ni  Ni109  1  0.754105  0.502804  0.476608  1
  Ni  Ni110  1  0.754171  0.271348  0.403177  1
  Ni  Ni111  1  0.754588  0.886445  0.438325  1
  Ni  Ni112  1  0.254479  0.502804  0.476608  1
  Ni  Ni113  1  0.254413  0.271348  0.403177  1
  Ni  Ni114  1  0.253996  0.886445  0.438325  1
  Ni  Ni115  1  0.254290  0.694802  0.457274  1
  Ni  Ni116  1  0.255074  0.464110  0.384813  1
  Ni  Ni117  1  0.253937  0.078248  0.419831  1
  Ni  Ni118  1  0.754295  0.694802  0.457274  1
  Ni  Ni119  1  0.753510  0.464110  0.384813  1
  Ni  Ni120  1  0.754647  0.078248  0.419831  1
  Ni  Ni121  1  0.754049  0.347234  0.585992  1
  Ni  Ni122  1  0.754280  0.115984  0.512792  1
  Ni  Ni123  1  0.754524  0.732681  0.550673  1
  Ni  Ni124  1  0.254536  0.347234  0.585992  1
  Ni  Ni125  1  0.254304  0.115984  0.512792  1
  Ni  Ni126  1  0.254060  0.732681  0.550673  1
  Ni  Ni127  1  0.253993  0.540846  0.569151  1
  Ni  Ni128  1  0.254123  0.309258  0.494700  1
  Ni  Ni129  1  0.254256  0.924057  0.531442  1
  Ni  Ni130  1  0.754591  0.540846  0.569151  1
  Ni  Ni131  1  0.754462  0.309258  0.494700  1
  Ni  Ni132  1  0.754328  0.924057  0.531442  1
  Ni  Ni133  1  0.755599  0.196896  0.696473  1
  Ni  Ni134  1  0.754443  0.962484  0.624525  1
  Ni  Ni135  1  0.754613  0.577641  0.662067  1
  Ni  Ni136  1  0.252985  0.196896  0.696473  1
  Ni  Ni137  1  0.254141  0.962484  0.624525  1
  Ni  Ni138  1  0.253971  0.577641  0.662067  1
  Ni  Ni139  1  0.252330  0.387269  0.679118  1
  Ni  Ni140  1  0.255213  0.154117  0.604998  1
  Ni  Ni141  1  0.252026  0.769568  0.644828  1
  Ni  Ni142  1  0.756255  0.387269  0.679118  1
  Ni  Ni143  1  0.753371  0.154117  0.604998  1
  Ni  Ni144  1  0.756559  0.769568  0.644828  1
