# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32430648
_cell_length_b   23.21134838
_cell_length_c   48.71035728
_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   6019.8369972
_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  0.002217  0.549186  0.364988  1
  Zr  Zr2  1  0.002217  0.319734  0.293041  1
  Zr  Zr3  1  0.002217  0.934480  0.324730  1
  Zr  Zr4  1  0.502217  0.855462  0.303982  1
  Zr  Zr5  1  0.502217  0.470754  0.340460  1
  Zr  Zr6  1  0.502217  0.088453  0.376635  1
  Zr  Zr7  1  0.002217  0.792284  0.309919  1
  Zr  Zr8  1  0.002217  0.409231  0.346888  1
  Zr  Zr9  1  0.002217  0.024775  0.382364  1
  Zr  Zr10  1  0.502217  0.713152  0.285010  1
  Zr  Zr11  1  0.502217  0.330823  0.322318  1
  Zr  Zr12  1  0.502217  0.947280  0.357401  1
  Zr  Zr13  1  0.502217  0.741619  0.346108  1
  Zr  Zr14  1  0.502217  0.357750  0.384424  1
  Zr  Zr15  1  0.502217  0.130362  0.308533  1
  Zr  Zr16  1  0.002217  0.662932  0.321650  1
  Zr  Zr17  1  0.002217  0.279875  0.359233  1
  Zr  Zr18  1  0.002217  0.056900  0.287001  1
  Zr  Zr19  1  0.502217  0.600287  0.328026  1
  Zr  Zr20  1  0.502217  0.217846  0.364691  1
  Zr  Zr21  1  0.502217  0.990147  0.292303  1
  Zr  Zr22  1  0.002217  0.754505  0.376748  1
  Zr  Zr23  1  0.002217  0.520268  0.302365  1
  Zr  Zr24  1  0.002217  0.142231  0.339689  1
  Zr  Zr25  1  0.002217  0.396682  0.476789  1
  Zr  Zr26  1  0.002217  0.165359  0.402238  1
  Zr  Zr27  1  0.002217  0.781401  0.439103  1
  Zr  Zr28  1  0.502217  0.703299  0.414209  1
  Zr  Zr29  1  0.502217  0.318647  0.451940  1
  Zr  Zr30  1  0.502217  0.933644  0.487986  1
  Zr  Zr31  1  0.002217  0.640396  0.420589  1
  Zr  Zr32  1  0.002217  0.255480  0.457732  1
  Zr  Zr33  1  0.002217  0.871053  0.494539  1
  Zr  Zr34  1  0.502217  0.562329  0.395617  1
  Zr  Zr35  1  0.502217  0.177660  0.432406  1
  Zr  Zr36  1  0.502217  0.793210  0.469552  1
  Zr  Zr37  1  0.502217  0.589282  0.458201  1
  Zr  Zr38  1  0.502217  0.203330  0.494817  1
  Zr  Zr39  1  0.502217  0.973341  0.420048  1
  Zr  Zr40  1  0.002217  0.511232  0.433234  1
  Zr  Zr41  1  0.002217  0.125622  0.469659  1
  Zr  Zr42  1  0.002217  0.895813  0.394776  1
  Zr  Zr43  1  0.502217  0.448401  0.439541  1
  Zr  Zr44  1  0.502217  0.062949  0.475676  1
  Zr  Zr45  1  0.502217  0.832706  0.401587  1
  Zr  Zr46  1  0.002217  0.601518  0.488560  1
  Zr  Zr47  1  0.002217  0.370433  0.414538  1
  Zr  Zr48  1  0.002217  0.985203  0.450456  1
  Zr  Zr49  1  0.002217  0.242178  0.587271  1
  Zr  Zr50  1  0.002217  0.011379  0.513168  1
  Zr  Zr51  1  0.002217  0.627705  0.551222  1
  Zr  Zr52  1  0.502217  0.549901  0.526050  1
  Zr  Zr53  1  0.502217  0.164247  0.562318  1
  Zr  Zr54  1  0.502217  0.780328  0.600126  1
  Zr  Zr55  1  0.002217  0.487158  0.532068  1
  Zr  Zr56  1  0.002217  0.101478  0.568740  1
  Zr  Zr57  1  0.002217  0.717174  0.606888  1
  Zr  Zr58  1  0.502217  0.409339  0.506981  1
  Zr  Zr59  1  0.502217  0.023624  0.543557  1
  Zr  Zr60  1  0.502217  0.639632  0.581613  1
  Zr  Zr61  1  0.502217  0.435116  0.569320  1
  Zr  Zr62  1  0.502217  0.050282  0.606292  1
  Zr  Zr63  1  0.502217  0.819600  0.532084  1
  Zr  Zr64  1  0.002217  0.357207  0.544066  1
  Zr  Zr65  1  0.002217  0.972394  0.581022  1
  Zr  Zr66  1  0.002217  0.741771  0.507100  1
  Zr  Zr67  1  0.502217  0.293982  0.549883  1
  Zr  Zr68  1  0.502217  0.909527  0.587272  1
  Zr  Zr69  1  0.502217  0.679244  0.513678  1
  Zr  Zr70  1  0.002217  0.447504  0.599439  1
  Zr  Zr71  1  0.002217  0.215926  0.525041  1
  Zr  Zr72  1  0.002217  0.831473  0.562557  1
  Zr  Zr73  1  0.002217  0.093514  0.698555  1
  Zr  Zr74  1  0.002217  0.858601  0.624959  1
  Zr  Zr75  1  0.002217  0.470709  0.661959  1
  Zr  Zr76  1  0.502217  0.394973  0.636976  1
  Zr  Zr77  1  0.502217  0.012025  0.673953  1
  Zr  Zr78  1  0.502217  0.622848  0.709295  1
  Zr  Zr79  1  0.002217  0.333003  0.642403  1
  Zr  Zr80  1  0.002217  0.950182  0.680144  1
  Zr  Zr81  1  0.002217  0.556228  0.714612  1
  Zr  Zr82  1  0.502217  0.254696  0.617408  1
  Zr  Zr83  1  0.502217  0.872017  0.655623  1
  Zr  Zr84  1  0.502217  0.482634  0.693130  1
  Zr  Zr85  1  0.502217  0.282303  0.679357  1
  Zr  Zr86  1  0.502217  0.897380  0.715478  1
  Zr  Zr87  1  0.502217  0.665641  0.644199  1
  Zr  Zr88  1  0.002217  0.203664  0.654909  1
  Zr  Zr89  1  0.002217  0.821550  0.691884  1
  Zr  Zr90  1  0.002217  0.588164  0.619278  1
  Zr  Zr91  1  0.502217  0.141192  0.661748  1
  Zr  Zr92  1  0.502217  0.757282  0.697502  1
  Zr  Zr93  1  0.502217  0.524445  0.625011  1
  Zr  Zr94  1  0.002217  0.294126  0.708544  1
  Zr  Zr95  1  0.002217  0.063067  0.637285  1
  Zr  Zr96  1  0.002217  0.678656  0.676837  1
  Ni  Ni97  1  0.251149  0.845274  0.351825  1
  Ni  Ni98  1  0.252574  0.611392  0.279516  1
  Ni  Ni99  1  0.251104  0.230818  0.315725  1
  Ni  Ni100  1  0.753286  0.845274  0.351825  1
  Ni  Ni101  1  0.751861  0.611392  0.279516  1
  Ni  Ni102  1  0.753331  0.230818  0.315725  1
  Ni  Ni103  1  0.752339  0.651927  0.371280  1
  Ni  Ni104  1  0.753643  0.418960  0.298115  1
  Ni  Ni105  1  0.752152  0.038900  0.333302  1
  Ni  Ni106  1  0.252096  0.651927  0.371280  1
  Ni  Ni107  1  0.250792  0.418960  0.298115  1
  Ni  Ni108  1  0.252283  0.038900  0.333302  1
  Ni  Ni109  1  0.252136  0.691289  0.463840  1
  Ni  Ni110  1  0.252933  0.460297  0.390298  1
  Ni  Ni111  1  0.252064  0.075222  0.426059  1
  Ni  Ni112  1  0.752299  0.691289  0.463840  1
  Ni  Ni113  1  0.751502  0.460297  0.390298  1
  Ni  Ni114  1  0.752371  0.075222  0.426059  1
  Ni  Ni115  1  0.752244  0.499312  0.482670  1
  Ni  Ni116  1  0.752029  0.267930  0.408800  1
  Ni  Ni117  1  0.752403  0.883274  0.444676  1
  Ni  Ni118  1  0.252191  0.499312  0.482670  1
  Ni  Ni119  1  0.252406  0.267930  0.408800  1
  Ni  Ni120  1  0.252032  0.883274  0.444676  1
  Ni  Ni121  1  0.252080  0.537661  0.575616  1
  Ni  Ni122  1  0.252087  0.306312  0.500915  1
  Ni  Ni123  1  0.252098  0.921565  0.537771  1
  Ni  Ni124  1  0.752354  0.537661  0.575616  1
  Ni  Ni125  1  0.752348  0.306312  0.500915  1
  Ni  Ni126  1  0.752336  0.921565  0.537771  1
  Ni  Ni127  1  0.751906  0.344747  0.592942  1
  Ni  Ni128  1  0.752366  0.113454  0.519142  1
  Ni  Ni129  1  0.752376  0.729647  0.557001  1
  Ni  Ni130  1  0.252529  0.344747  0.592942  1
  Ni  Ni131  1  0.252069  0.113454  0.519142  1
  Ni  Ni132  1  0.252059  0.729647  0.557001  1
  Ni  Ni133  1  0.251273  0.382312  0.685875  1
  Ni  Ni134  1  0.252972  0.152163  0.611693  1
  Ni  Ni135  1  0.251076  0.767952  0.649833  1
  Ni  Ni136  1  0.753162  0.382312  0.685875  1
  Ni  Ni137  1  0.751463  0.152163  0.611693  1
  Ni  Ni138  1  0.753358  0.767952  0.649833  1
  Ni  Ni139  1  0.754059  0.193644  0.703726  1
  Ni  Ni140  1  0.752334  0.961061  0.630698  1
  Ni  Ni141  1  0.752201  0.574066  0.668320  1
  Ni  Ni142  1  0.250375  0.193644  0.703726  1
  Ni  Ni143  1  0.252101  0.961061  0.630698  1
  Ni  Ni144  1  0.252234  0.574066  0.668320  1
