# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90957393
_cell_length_b   15.63559951
_cell_length_c   51.55556516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr80 Ni160'
_cell_volume   7578.2046053
_cell_formula_units_Z   80
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  0.462176  0.943266  0.353395  1
  Zr  Zr2  1  0.238286  0.495554  0.306868  1
  Zr  Zr3  1  0.545930  0.610890  0.319986  1
  Zr  Zr4  1  0.320263  0.159447  0.276666  1
  Zr  Zr5  1  0.130488  0.779798  0.287229  1
  Zr  Zr6  1  0.351440  0.221814  0.330928  1
  Zr  Zr7  1  0.439316  0.897581  0.297007  1
  Zr  Zr8  1  0.656945  0.332919  0.341942  1
  Zr  Zr9  1  0.630488  0.779798  0.287229  1
  Zr  Zr10  1  0.851440  0.221814  0.330928  1
  Zr  Zr11  1  0.939316  0.897581  0.297007  1
  Zr  Zr12  1  0.156945  0.332919  0.341942  1
  Zr  Zr13  1  0.962176  0.943266  0.353395  1
  Zr  Zr14  1  0.738286  0.495554  0.306868  1
  Zr  Zr15  1  0.045930  0.610890  0.319986  1
  Zr  Zr16  1  0.820263  0.159447  0.276666  1
  Zr  Zr17  1  0.906907  0.832759  0.444145  1
  Zr  Zr18  1  0.684970  0.388884  0.398708  1
  Zr  Zr19  1  0.990644  0.500320  0.409875  1
  Zr  Zr20  1  0.767848  0.054708  0.364940  1
  Zr  Zr21  1  0.573941  0.666809  0.375733  1
  Zr  Zr22  1  0.795860  0.110661  0.421679  1
  Zr  Zr23  1  0.878975  0.776963  0.387325  1
  Zr  Zr24  1  0.101553  0.222137  0.433068  1
  Zr  Zr25  1  0.073941  0.666809  0.375733  1
  Zr  Zr26  1  0.295860  0.110661  0.421679  1
  Zr  Zr27  1  0.378975  0.776963  0.387325  1
  Zr  Zr28  1  0.601553  0.222137  0.433068  1
  Zr  Zr29  1  0.406907  0.832759  0.444145  1
  Zr  Zr30  1  0.184970  0.388884  0.398708  1
  Zr  Zr31  1  0.490644  0.500320  0.409875  1
  Zr  Zr32  1  0.267848  0.054708  0.364940  1
  Zr  Zr33  1  0.351481  0.721931  0.535164  1
  Zr  Zr34  1  0.129194  0.277347  0.489835  1
  Zr  Zr35  1  0.434761  0.388570  0.501133  1
  Zr  Zr36  1  0.212464  0.943962  0.455765  1
  Zr  Zr37  1  0.018082  0.555118  0.466833  1
  Zr  Zr38  1  0.240355  0.999674  0.512601  1
  Zr  Zr39  1  0.323628  0.666298  0.478333  1
  Zr  Zr40  1  0.545886  0.110824  0.524138  1
  Zr  Zr41  1  0.518082  0.555118  0.466833  1
  Zr  Zr42  1  0.740355  0.999674  0.512601  1
  Zr  Zr43  1  0.823628  0.666298  0.478333  1
  Zr  Zr44  1  0.045886  0.110824  0.524138  1
  Zr  Zr45  1  0.851481  0.721931  0.535164  1
  Zr  Zr46  1  0.629194  0.277347  0.489835  1
  Zr  Zr47  1  0.934761  0.388570  0.501133  1
  Zr  Zr48  1  0.712464  0.943962  0.455765  1
  Zr  Zr49  1  0.796103  0.611194  0.625942  1
  Zr  Zr50  1  0.573429  0.165837  0.581114  1
  Zr  Zr51  1  0.878997  0.277063  0.592304  1
  Zr  Zr52  1  0.657068  0.833194  0.546756  1
  Zr  Zr53  1  0.462364  0.443703  0.557904  1
  Zr  Zr54  1  0.685009  0.889001  0.603573  1
  Zr  Zr55  1  0.768037  0.555137  0.569259  1
  Zr  Zr56  1  0.990141  0.999351  0.615043  1
  Zr  Zr57  1  0.962364  0.443703  0.557904  1
  Zr  Zr58  1  0.185009  0.889001  0.603573  1
  Zr  Zr59  1  0.268037  0.555137  0.569259  1
  Zr  Zr60  1  0.490141  0.999351  0.615043  1
  Zr  Zr61  1  0.296103  0.611194  0.625942  1
  Zr  Zr62  1  0.073429  0.165837  0.581114  1
  Zr  Zr63  1  0.378997  0.277063  0.592304  1
  Zr  Zr64  1  0.157068  0.833194  0.546756  1
  Zr  Zr65  1  0.244093  0.507289  0.714359  1
  Zr  Zr66  1  0.018099  0.055193  0.671647  1
  Zr  Zr67  1  0.324829  0.168752  0.685673  1
  Zr  Zr68  1  0.101713  0.722504  0.637413  1
  Zr  Zr69  1  0.906853  0.332705  0.649111  1
  Zr  Zr70  1  0.124068  0.767141  0.693822  1
  Zr  Zr71  1  0.212593  0.444274  0.660026  1
  Zr  Zr72  1  0.435362  0.889803  0.704725  1
  Zr  Zr73  1  0.406853  0.332705  0.649111  1
  Zr  Zr74  1  0.624068  0.767141  0.693822  1
  Zr  Zr75  1  0.712593  0.444274  0.660026  1
  Zr  Zr76  1  0.935362  0.889803  0.704725  1
  Zr  Zr77  1  0.744093  0.507289  0.714359  1
  Zr  Zr78  1  0.518099  0.055193  0.671647  1
  Zr  Zr79  1  0.824829  0.168752  0.685673  1
  Zr  Zr80  1  0.601713  0.722504  0.637413  1
  Ni  Ni81  1  0.338103  0.695080  0.300281  1
  Ni  Ni82  1  0.559614  0.138197  0.347905  1
  Ni  Ni83  1  0.255271  0.777829  0.335342  1
  Ni  Ni84  1  0.029429  0.330468  0.291080  1
  Ni  Ni85  1  0.503614  0.777837  0.335342  1
  Ni  Ni86  1  0.282062  0.330461  0.291086  1
  Ni  Ni87  1  0.309530  0.638038  0.346440  1
  Ni  Ni88  1  0.087329  0.193613  0.301926  1
  Ni  Ni89  1  0.225066  0.969079  0.278760  1
  Ni  Ni90  1  0.448587  0.416166  0.324591  1
  Ni  Ni91  1  0.144705  0.055247  0.314024  1
  Ni  Ni92  1  0.364875  0.499804  0.358395  1
  Ni  Ni93  1  0.391585  0.055246  0.314027  1
  Ni  Ni94  1  0.615942  0.499805  0.358395  1
  Ni  Ni95  1  0.198689  0.916315  0.324372  1
  Ni  Ni96  1  0.979889  0.478814  0.281193  1
  Ni  Ni97  1  0.725066  0.969079  0.278760  1
  Ni  Ni98  1  0.948587  0.416166  0.324591  1
  Ni  Ni99  1  0.644705  0.055247  0.314024  1
  Ni  Ni100  1  0.864875  0.499804  0.358395  1
  Ni  Ni101  1  0.891585  0.055246  0.314027  1
  Ni  Ni102  1  0.115942  0.499805  0.358395  1
  Ni  Ni103  1  0.698689  0.916315  0.324372  1
  Ni  Ni104  1  0.479889  0.478814  0.281193  1
  Ni  Ni105  1  0.838103  0.695080  0.300281  1
  Ni  Ni106  1  0.059614  0.138197  0.347905  1
  Ni  Ni107  1  0.755271  0.777829  0.335342  1
  Ni  Ni108  1  0.529429  0.330468  0.291080  1
  Ni  Ni109  1  0.003614  0.777837  0.335342  1
  Ni  Ni110  1  0.782062  0.330461  0.291086  1
  Ni  Ni111  1  0.809530  0.638038  0.346440  1
  Ni  Ni112  1  0.587329  0.193613  0.301926  1
  Ni  Ni113  1  0.782126  0.583233  0.392651  1
  Ni  Ni114  1  0.004137  0.027260  0.438745  1
  Ni  Ni115  1  0.698666  0.666239  0.427075  1
  Ni  Ni116  1  0.476546  0.222068  0.382087  1
  Ni  Ni117  1  0.948587  0.666239  0.427075  1
  Ni  Ni118  1  0.726543  0.222067  0.382086  1
  Ni  Ni119  1  0.754260  0.527511  0.438405  1
  Ni  Ni120  1  0.532003  0.082982  0.393470  1
  Ni  Ni121  1  0.670415  0.859792  0.370234  1
  Ni  Ni122  1  0.893258  0.305505  0.415967  1
  Ni  Ni123  1  0.587465  0.943851  0.404565  1
  Ni  Ni124  1  0.809886  0.388753  0.449925  1
  Ni  Ni125  1  0.837410  0.943850  0.404565  1
  Ni  Ni126  1  0.059872  0.388753  0.449924  1
  Ni  Ni127  1  0.643064  0.805107  0.415837  1
  Ni  Ni128  1  0.421166  0.361318  0.370578  1
  Ni  Ni129  1  0.170415  0.859792  0.370234  1
  Ni  Ni130  1  0.393258  0.305505  0.415967  1
  Ni  Ni131  1  0.087465  0.943851  0.404565  1
  Ni  Ni132  1  0.309886  0.388753  0.449925  1
  Ni  Ni133  1  0.337410  0.943850  0.404565  1
  Ni  Ni134  1  0.559872  0.388753  0.449924  1
  Ni  Ni135  1  0.143064  0.805107  0.415837  1
  Ni  Ni136  1  0.921166  0.361318  0.370578  1
  Ni  Ni137  1  0.282126  0.583233  0.392651  1
  Ni  Ni138  1  0.504137  0.027260  0.438745  1
  Ni  Ni139  1  0.198666  0.666239  0.427075  1
  Ni  Ni140  1  0.976546  0.222068  0.382087  1
  Ni  Ni141  1  0.448587  0.666239  0.427075  1
  Ni  Ni142  1  0.226543  0.222067  0.382086  1
  Ni  Ni143  1  0.254260  0.527511  0.438405  1
  Ni  Ni144  1  0.032003  0.082982  0.393470  1
  Ni  Ni145  1  0.226457  0.471915  0.484005  1
  Ni  Ni146  1  0.448707  0.916425  0.529641  1
  Ni  Ni147  1  0.143061  0.555148  0.518103  1
  Ni  Ni148  1  0.920890  0.110754  0.472844  1
  Ni  Ni149  1  0.393078  0.555148  0.518103  1
  Ni  Ni150  1  0.170866  0.110753  0.472845  1
  Ni  Ni151  1  0.198577  0.416165  0.529538  1
  Ni  Ni152  1  0.976418  0.971835  0.484177  1
  Ni  Ni153  1  0.115279  0.749551  0.461289  1
  Ni  Ni154  1  0.337499  0.194002  0.506958  1
  Ni  Ni155  1  0.031981  0.832972  0.495463  1
  Ni  Ni156  1  0.254086  0.277196  0.541044  1
  Ni  Ni157  1  0.281990  0.832973  0.495463  1
  Ni  Ni158  1  0.504097  0.277195  0.541045  1
  Ni  Ni159  1  0.087546  0.694097  0.506753  1
  Ni  Ni160  1  0.865370  0.249737  0.461435  1
  Ni  Ni161  1  0.615279  0.749551  0.461289  1
  Ni  Ni162  1  0.837499  0.194002  0.506958  1
  Ni  Ni163  1  0.531981  0.832972  0.495463  1
  Ni  Ni164  1  0.754086  0.277196  0.541044  1
  Ni  Ni165  1  0.781990  0.832973  0.495463  1
  Ni  Ni166  1  0.004097  0.277195  0.541045  1
  Ni  Ni167  1  0.587546  0.694097  0.506753  1
  Ni  Ni168  1  0.365370  0.249737  0.461435  1
  Ni  Ni169  1  0.726457  0.471915  0.484005  1
  Ni  Ni170  1  0.948707  0.916425  0.529641  1
  Ni  Ni171  1  0.643061  0.555148  0.518103  1
  Ni  Ni172  1  0.420890  0.110754  0.472844  1
  Ni  Ni173  1  0.893078  0.555148  0.518103  1
  Ni  Ni174  1  0.670866  0.110753  0.472845  1
  Ni  Ni175  1  0.698577  0.416165  0.529538  1
  Ni  Ni176  1  0.476418  0.971835  0.484177  1
  Ni  Ni177  1  0.670649  0.360318  0.575051  1
  Ni  Ni178  1  0.893394  0.805817  0.620600  1
  Ni  Ni179  1  0.587271  0.443618  0.608931  1
  Ni  Ni180  1  0.365328  0.999794  0.563877  1
  Ni  Ni181  1  0.837315  0.443619  0.608931  1
  Ni  Ni182  1  0.615448  0.999793  0.563877  1
  Ni  Ni183  1  0.642746  0.304525  0.620515  1
  Ni  Ni184  1  0.420928  0.860877  0.575084  1
  Ni  Ni185  1  0.559798  0.638613  0.552175  1
  Ni  Ni186  1  0.781956  0.082938  0.598321  1
  Ni  Ni187  1  0.476491  0.722031  0.586323  1
  Ni  Ni188  1  0.699267  0.166358  0.632632  1
  Ni  Ni189  1  0.726517  0.722032  0.586323  1
  Ni  Ni190  1  0.948056  0.166357  0.632631  1
  Ni  Ni191  1  0.531862  0.582750  0.597431  1
  Ni  Ni192  1  0.309737  0.138491  0.552577  1
  Ni  Ni193  1  0.059798  0.638613  0.552175  1
  Ni  Ni194  1  0.281956  0.082938  0.598321  1
  Ni  Ni195  1  0.976491  0.722031  0.586323  1
  Ni  Ni196  1  0.199267  0.166358  0.632632  1
  Ni  Ni197  1  0.226517  0.722032  0.586323  1
  Ni  Ni198  1  0.448056  0.166357  0.632631  1
  Ni  Ni199  1  0.031862  0.582750  0.597431  1
  Ni  Ni200  1  0.809737  0.138491  0.552577  1
  Ni  Ni201  1  0.170649  0.360318  0.575051  1
  Ni  Ni202  1  0.393394  0.805817  0.620600  1
  Ni  Ni203  1  0.087271  0.443618  0.608931  1
  Ni  Ni204  1  0.865328  0.999794  0.563877  1
  Ni  Ni205  1  0.337315  0.443619  0.608931  1
  Ni  Ni206  1  0.115448  0.999793  0.563877  1
  Ni  Ni207  1  0.142746  0.304525  0.620515  1
  Ni  Ni208  1  0.920928  0.860877  0.575084  1
  Ni  Ni209  1  0.115603  0.250253  0.666664  1
  Ni  Ni210  1  0.339269  0.697565  0.712197  1
  Ni  Ni211  1  0.035751  0.338233  0.699868  1
  Ni  Ni212  1  0.808725  0.887140  0.655234  1
  Ni  Ni213  1  0.283415  0.338235  0.699863  1
  Ni  Ni214  1  0.059381  0.887135  0.655236  1
  Ni  Ni215  1  0.086870  0.192827  0.711393  1
  Ni  Ni216  1  0.865464  0.749969  0.666696  1
  Ni  Ni217  1  0.004349  0.527738  0.643023  1
  Ni  Ni218  1  0.223391  0.965825  0.689730  1
  Ni  Ni219  1  0.919226  0.611005  0.676845  1
  Ni  Ni220  1  0.139243  0.051949  0.721341  1
  Ni  Ni221  1  0.172738  0.611004  0.676842  1
  Ni  Ni222  1  0.393647  0.051988  0.721337  1
  Ni  Ni223  1  0.977324  0.473721  0.688987  1
  Ni  Ni224  1  0.754251  0.027531  0.644275  1
  Ni  Ni225  1  0.504349  0.527738  0.643023  1
  Ni  Ni226  1  0.723391  0.965825  0.689730  1
  Ni  Ni227  1  0.419226  0.611005  0.676845  1
  Ni  Ni228  1  0.639243  0.051949  0.721341  1
  Ni  Ni229  1  0.672738  0.611004  0.676842  1
  Ni  Ni230  1  0.893647  0.051988  0.721337  1
  Ni  Ni231  1  0.477324  0.473721  0.688987  1
  Ni  Ni232  1  0.254251  0.027531  0.644275  1
  Ni  Ni233  1  0.615603  0.250253  0.666664  1
  Ni  Ni234  1  0.839269  0.697565  0.712197  1
  Ni  Ni235  1  0.535751  0.338233  0.699868  1
  Ni  Ni236  1  0.308725  0.887140  0.655234  1
  Ni  Ni237  1  0.783415  0.338235  0.699863  1
  Ni  Ni238  1  0.559381  0.887135  0.655236  1
  Ni  Ni239  1  0.586870  0.192827  0.711393  1
  Ni  Ni240  1  0.365464  0.749969  0.666696  1
