# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77801312
_cell_length_b   24.46828265
_cell_length_c   50.78970359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr48 Ni240'
_cell_volume   8423.28649338
_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  0.748036  0.635992  0.327968  1
  Zr  Zr2  1  0.767053  0.250436  0.362652  1
  Zr  Zr3  1  0.707332  0.025025  0.301144  1
  Zr  Zr4  1  0.263448  0.750619  0.362591  1
  Zr  Zr5  1  0.207951  0.534338  0.299437  1
  Zr  Zr6  1  0.257062  0.138015  0.325633  1
  Zr  Zr7  1  0.247328  0.558783  0.381653  1
  Zr  Zr8  1  0.230802  0.333067  0.317273  1
  Zr  Zr9  1  0.260444  0.944004  0.343257  1
  Zr  Zr10  1  0.742026  0.826208  0.314781  1
  Zr  Zr11  1  0.755644  0.445571  0.343609  1
  Zr  Zr12  1  0.756838  0.060475  0.380711  1
  Zr  Zr13  1  0.753721  0.483175  0.437774  1
  Zr  Zr14  1  0.756381  0.098380  0.474438  1
  Zr  Zr15  1  0.755149  0.869482  0.399572  1
  Zr  Zr16  1  0.253232  0.598264  0.474384  1
  Zr  Zr17  1  0.254406  0.368338  0.400654  1
  Zr  Zr18  1  0.256216  0.983532  0.437248  1
  Zr  Zr19  1  0.255048  0.405959  0.493286  1
  Zr  Zr20  1  0.255967  0.176567  0.418407  1
  Zr  Zr21  1  0.256448  0.791046  0.455954  1
  Zr  Zr22  1  0.751942  0.675840  0.418490  1
  Zr  Zr23  1  0.757071  0.290123  0.456556  1
  Zr  Zr24  1  0.756572  0.906488  0.492690  1
  Zr  Zr25  1  0.756448  0.328951  0.549233  1
  Zr  Zr26  1  0.755967  0.943430  0.586780  1
  Zr  Zr27  1  0.755048  0.714038  0.511901  1
  Zr  Zr28  1  0.251942  0.444157  0.586697  1
  Zr  Zr29  1  0.256572  0.213509  0.512497  1
  Zr  Zr30  1  0.257071  0.829874  0.548631  1
  Zr  Zr31  1  0.255149  0.250515  0.605614  1
  Zr  Zr32  1  0.256381  0.021617  0.530748  1
  Zr  Zr33  1  0.253721  0.636822  0.567413  1
  Zr  Zr34  1  0.753232  0.521733  0.530803  1
  Zr  Zr35  1  0.756216  0.136465  0.567939  1
  Zr  Zr36  1  0.754406  0.751659  0.604533  1
  Zr  Zr37  1  0.760444  0.175993  0.661930  1
  Zr  Zr38  1  0.730802  0.786930  0.687913  1
  Zr  Zr39  1  0.747328  0.561214  0.623534  1
  Zr  Zr40  1  0.242026  0.293789  0.690406  1
  Zr  Zr41  1  0.256838  0.059522  0.624476  1
  Zr  Zr42  1  0.255644  0.674426  0.661578  1
  Zr  Zr43  1  0.207332  0.094972  0.704043  1
  Zr  Zr44  1  0.267053  0.869561  0.642535  1
  Zr  Zr45  1  0.248036  0.484005  0.677219  1
  Zr  Zr46  1  0.763448  0.369378  0.642596  1
  Zr  Zr47  1  0.757062  0.981982  0.679553  1
  Zr  Zr48  1  0.707951  0.585659  0.705750  1
  Ni  Ni49  1  0.502368  0.655203  0.372685  1
  Ni  Ni50  1  0.500222  0.423057  0.304841  1
  Ni  Ni51  1  0.477909  0.044262  0.337262  1
  Ni  Ni52  1  0.876278  0.703807  0.368030  1
  Ni  Ni53  1  0.867933  0.477485  0.292825  1
  Ni  Ni54  1  0.882372  0.091725  0.330140  1
  Ni  Ni55  1  0.684960  0.715838  0.293396  1
  Ni  Ni56  1  0.640103  0.338352  0.331497  1
  Ni  Ni57  1  0.623572  0.956545  0.364762  1
  Ni  Ni58  1  0.631353  0.741237  0.339521  1
  Ni  Ni59  1  0.635161  0.358554  0.377531  1
  Ni  Ni60  1  0.605281  0.134860  0.301126  1
  Ni  Ni61  1  0.877385  0.607153  0.378256  1
  Ni  Ni62  1  0.854256  0.378453  0.300209  1
  Ni  Ni63  1  0.890431  0.990658  0.340531  1
  Ni  Ni64  1  0.006903  0.920439  0.304282  1
  Ni  Ni65  1  0.978033  0.541837  0.337885  1
  Ni  Ni66  1  0.010497  0.155283  0.371294  1
  Ni  Ni67  1  0.371209  0.591868  0.332788  1
  Ni  Ni68  1  0.380920  0.203701  0.367419  1
  Ni  Ni69  1  0.370575  0.971275  0.291804  1
  Ni  Ni70  1  0.139436  0.836058  0.330885  1
  Ni  Ni71  1  0.117839  0.452701  0.365667  1
  Ni  Ni72  1  0.209249  0.232027  0.293865  1
  Ni  Ni73  1  0.107536  0.639238  0.299916  1
  Ni  Ni74  1  0.133105  0.241072  0.339711  1
  Ni  Ni75  1  0.137841  0.858384  0.376810  1
  Ni  Ni76  1  0.363522  0.874501  0.300347  1
  Ni  Ni77  1  0.374897  0.491842  0.340662  1
  Ni  Ni78  1  0.380987  0.108333  0.377090  1
  Ni  Ni79  1  0.006595  0.734665  0.321391  1
  Ni  Ni80  1  0.990576  0.349284  0.356533  1
  Ni  Ni81  1  0.012391  0.964381  0.390023  1
  Ni  Ni82  1  0.376842  0.777142  0.308413  1
  Ni  Ni83  1  0.382286  0.398274  0.351169  1
  Ni  Ni84  1  0.375484  0.012752  0.385915  1
  Ni  Ni85  1  0.117104  0.644524  0.347413  1
  Ni  Ni86  1  0.131586  0.263467  0.385529  1
  Ni  Ni87  1  0.132132  0.029155  0.310373  1
  Ni  Ni88  1  0.064212  0.813957  0.286439  1
  Ni  Ni89  1  0.123972  0.435078  0.318931  1
  Ni  Ni90  1  0.129820  0.052274  0.357480  1
  Ni  Ni91  1  0.380855  0.684787  0.320882  1
  Ni  Ni92  1  0.391122  0.298985  0.360166  1
  Ni  Ni93  1  0.377591  0.071157  0.282961  1
  Ni  Ni94  1  0.498465  0.849469  0.354950  1
  Ni  Ni95  1  0.487123  0.617635  0.288292  1
  Ni  Ni96  1  0.517931  0.235043  0.321892  1
  Ni  Ni97  1  0.873546  0.511350  0.386507  1
  Ni  Ni98  1  0.878276  0.281228  0.309221  1
  Ni  Ni99  1  0.879925  0.896470  0.350099  1
  Ni  Ni100  1  0.627813  0.763048  0.385441  1
  Ni  Ni101  1  0.614263  0.531142  0.310607  1
  Ni  Ni102  1  0.631655  0.144917  0.347411  1
  Ni  Ni103  1  0.625639  0.549992  0.358382  1
  Ni  Ni104  1  0.549880  0.314507  0.288050  1
  Ni  Ni105  1  0.629164  0.929412  0.319140  1
  Ni  Ni106  1  0.888995  0.798750  0.360294  1
  Ni  Ni107  1  0.849705  0.579063  0.283988  1
  Ni  Ni108  1  0.889687  0.186352  0.318241  1
  Ni  Ni109  1  0.504226  0.502323  0.484216  1
  Ni  Ni110  1  0.512940  0.271964  0.409286  1
  Ni  Ni111  1  0.506272  0.887239  0.445883  1
  Ni  Ni112  1  0.878354  0.550741  0.479420  1
  Ni  Ni113  1  0.881256  0.319738  0.405422  1
  Ni  Ni114  1  0.879352  0.935441  0.441270  1
  Ni  Ni115  1  0.625804  0.569039  0.404792  1
  Ni  Ni116  1  0.630665  0.184791  0.441676  1
  Ni  Ni117  1  0.632957  0.800943  0.478924  1
  Ni  Ni118  1  0.628565  0.588771  0.451562  1
  Ni  Ni119  1  0.632110  0.203595  0.488859  1
  Ni  Ni120  1  0.632931  0.974933  0.413115  1
  Ni  Ni121  1  0.877644  0.454062  0.489015  1
  Ni  Ni122  1  0.880889  0.223502  0.414270  1
  Ni  Ni123  1  0.881280  0.838795  0.450427  1
  Ni  Ni124  1  0.011433  0.772055  0.409164  1
  Ni  Ni125  1  0.003940  0.386450  0.446619  1
  Ni  Ni126  1  0.006308  0.002701  0.483881  1
  Ni  Ni127  1  0.379719  0.435071  0.441943  1
  Ni  Ni128  1  0.380206  0.050870  0.479235  1
  Ni  Ni129  1  0.382393  0.820635  0.404904  1
  Ni  Ni130  1  0.128729  0.684983  0.441415  1
  Ni  Ni131  1  0.132014  0.299998  0.479492  1
  Ni  Ni132  1  0.130863  0.070451  0.404369  1
  Ni  Ni133  1  0.131387  0.473224  0.413775  1
  Ni  Ni134  1  0.131876  0.089173  0.451300  1
  Ni  Ni135  1  0.130321  0.704327  0.488380  1
  Ni  Ni136  1  0.378432  0.723811  0.414235  1
  Ni  Ni137  1  0.380208  0.338297  0.451374  1
  Ni  Ni138  1  0.380125  0.954380  0.488414  1
  Ni  Ni139  1  1.001814  0.579189  0.427964  1
  Ni  Ni140  1  0.007054  0.194243  0.465530  1
  Ni  Ni141  1  0.005650  0.810305  0.502267  1
  Ni  Ni142  1  0.377451  0.627521  0.423262  1
  Ni  Ni143  1  0.381005  0.242861  0.461012  1
  Ni  Ni144  1  0.379958  0.858713  0.497581  1
  Ni  Ni145  1  0.128395  0.491839  0.460465  1
  Ni  Ni146  1  0.131929  0.107828  0.497992  1
  Ni  Ni147  1  0.134940  0.878153  0.423001  1
  Ni  Ni148  1  0.135398  0.665572  0.394681  1
  Ni  Ni149  1  0.132841  0.280991  0.432996  1
  Ni  Ni150  1  0.130538  0.896973  0.469828  1
  Ni  Ni151  1  0.375523  0.530821  0.432840  1
  Ni  Ni152  1  0.378917  0.146478  0.469876  1
  Ni  Ni153  1  0.382809  0.916598  0.394903  1
  Ni  Ni154  1  0.504783  0.694587  0.465105  1
  Ni  Ni155  1  0.509993  0.463321  0.390691  1
  Ni  Ni156  1  0.504660  0.079798  0.427439  1
  Ni  Ni157  1  0.880218  0.358188  0.498293  1
  Ni  Ni158  1  0.880163  0.127690  0.423157  1
  Ni  Ni159  1  0.879531  0.743232  0.460521  1
  Ni  Ni160  1  0.630389  0.608070  0.497852  1
  Ni  Ni161  1  0.632796  0.376786  0.423823  1
  Ni  Ni162  1  0.631572  0.992882  0.460064  1
  Ni  Ni163  1  0.630822  0.396227  0.470411  1
  Ni  Ni164  1  0.636413  0.165801  0.394865  1
  Ni  Ni165  1  0.632070  0.781494  0.432573  1
  Ni  Ni166  1  0.876977  0.646546  0.469600  1
  Ni  Ni167  1  0.878818  0.415639  0.396178  1
  Ni  Ni168  1  0.880810  0.031122  0.432275  1
  Ni  Ni169  1  0.511433  0.347942  0.596022  1
  Ni  Ni170  1  0.506308  0.117296  0.521306  1
  Ni  Ni171  1  0.503940  0.733547  0.558568  1
  Ni  Ni172  1  0.878432  0.396187  0.590952  1
  Ni  Ni173  1  0.880125  0.165617  0.516773  1
  Ni  Ni174  1  0.880208  0.781700  0.553813  1
  Ni  Ni175  1  0.630321  0.415670  0.516806  1
  Ni  Ni176  1  0.631876  0.030824  0.553887  1
  Ni  Ni177  1  0.631387  0.646774  0.591412  1
  Ni  Ni178  1  0.628729  0.435014  0.563772  1
  Ni  Ni179  1  0.630863  0.049546  0.600818  1
  Ni  Ni180  1  0.632014  0.819999  0.525695  1
  Ni  Ni181  1  0.882393  0.299362  0.600283  1
  Ni  Ni182  1  0.880206  0.069127  0.525952  1
  Ni  Ni183  1  0.879719  0.684926  0.563243  1
  Ni  Ni184  1  0.004226  0.617674  0.520970  1
  Ni  Ni185  1  0.006272  0.232759  0.559304  1
  Ni  Ni186  1  0.012940  0.848033  0.595901  1
  Ni  Ni187  1  0.381280  0.281202  0.554760  1
  Ni  Ni188  1  0.380889  0.896495  0.590917  1
  Ni  Ni189  1  0.377644  0.665935  0.516172  1
  Ni  Ni190  1  0.128565  0.531226  0.553625  1
  Ni  Ni191  1  0.132931  0.145064  0.592071  1
  Ni  Ni192  1  0.132110  0.916403  0.516328  1
  Ni  Ni193  1  0.132957  0.319054  0.526263  1
  Ni  Ni194  1  0.130665  0.935206  0.563511  1
  Ni  Ni195  1  0.125804  0.550958  0.600395  1
  Ni  Ni196  1  0.378354  0.569256  0.525767  1
  Ni  Ni197  1  0.379352  0.184556  0.563917  1
  Ni  Ni198  1  0.381256  0.800259  0.599765  1
  Ni  Ni199  1  0.004783  0.425410  0.540082  1
  Ni  Ni200  1  0.004660  0.040199  0.577748  1
  Ni  Ni201  1  0.009993  0.656676  0.614496  1
  Ni  Ni202  1  0.376977  0.473451  0.535587  1
  Ni  Ni203  1  0.380810  0.088875  0.572912  1
  Ni  Ni204  1  0.378818  0.704358  0.609009  1
  Ni  Ni205  1  0.132070  0.338503  0.572613  1
  Ni  Ni206  1  0.136413  0.954196  0.610321  1
  Ni  Ni207  1  0.130822  0.723770  0.534776  1
  Ni  Ni208  1  0.130389  0.511927  0.507335  1
  Ni  Ni209  1  0.131572  0.127115  0.545122  1
  Ni  Ni210  1  0.132796  0.743211  0.581363  1
  Ni  Ni211  1  0.379531  0.376765  0.544666  1
  Ni  Ni212  1  0.380163  0.992308  0.582030  1
  Ni  Ni213  1  0.380218  0.761810  0.506894  1
  Ni  Ni214  1  0.501814  0.540808  0.577223  1
  Ni  Ni215  1  0.505650  0.309692  0.502920  1
  Ni  Ni216  1  0.507054  0.925754  0.539657  1
  Ni  Ni217  1  0.882809  0.203399  0.610283  1
  Ni  Ni218  1  0.878917  0.973519  0.535311  1
  Ni  Ni219  1  0.875523  0.589176  0.572347  1
  Ni  Ni220  1  0.635398  0.454425  0.610506  1
  Ni  Ni221  1  0.630538  0.223024  0.535359  1
  Ni  Ni222  1  0.632841  0.839006  0.572191  1
  Ni  Ni223  1  0.634940  0.241844  0.582186  1
  Ni  Ni224  1  0.631929  0.012169  0.507195  1
  Ni  Ni225  1  0.628395  0.628159  0.544722  1
  Ni  Ni226  1  0.877451  0.492476  0.581925  1
  Ni  Ni227  1  0.879958  0.261284  0.507606  1
  Ni  Ni228  1  0.881005  0.877136  0.544175  1
  Ni  Ni229  1  0.506903  0.199558  0.700905  1
  Ni  Ni230  1  0.510497  0.964714  0.633893  1
  Ni  Ni231  1  0.478033  0.578160  0.667302  1
  Ni  Ni232  1  0.863522  0.245496  0.704840  1
  Ni  Ni233  1  0.880987  0.011664  0.628097  1
  Ni  Ni234  1  0.874897  0.628156  0.664525  1
  Ni  Ni235  1  0.637841  0.261613  0.628377  1
  Ni  Ni236  1  0.633105  0.878925  0.665476  1
  Ni  Ni237  1  0.607536  0.480759  0.705270  1
  Ni  Ni238  1  0.639436  0.283939  0.674302  1
  Ni  Ni239  1  0.709249  0.887970  0.711322  1
  Ni  Ni240  1  0.617839  0.667296  0.639520  1
  Ni  Ni241  1  0.870575  0.148722  0.713383  1
  Ni  Ni242  1  0.880920  0.916297  0.637768  1
  Ni  Ni243  1  0.871209  0.528129  0.672399  1
  Ni  Ni244  1  1.002368  0.464794  0.632501  1
  Ni  Ni245  1  0.977909  0.075735  0.667925  1
  Ni  Ni246  1  1.000222  0.696940  0.700346  1
  Ni  Ni247  1  0.390431  0.129339  0.664656  1
  Ni  Ni248  1  0.354256  0.741544  0.704978  1
  Ni  Ni249  1  0.377385  0.512844  0.626931  1
  Ni  Ni250  1  0.131353  0.378761  0.665665  1
  Ni  Ni251  1  0.105281  0.985137  0.704060  1
  Ni  Ni252  1  0.135161  0.761444  0.627656  1
  Ni  Ni253  1  0.123572  0.163452  0.640425  1
  Ni  Ni254  1  0.140103  0.781645  0.673690  1
  Ni  Ni255  1  0.184960  0.404159  0.711790  1
  Ni  Ni256  1  0.376278  0.416190  0.637157  1
  Ni  Ni257  1  0.382372  0.028273  0.675047  1
  Ni  Ni258  1  0.367933  0.642512  0.712362  1
  Ni  Ni259  1  0.998465  0.270529  0.650237  1
  Ni  Ni260  1  0.017931  0.884954  0.683294  1
  Ni  Ni261  1  0.987123  0.502362  0.716894  1
  Ni  Ni262  1  0.388995  0.321247  0.644893  1
  Ni  Ni263  1  0.389687  0.933645  0.686946  1
  Ni  Ni264  1  0.349705  0.540934  0.721199  1
  Ni  Ni265  1  0.129164  0.190586  0.686047  1
  Ni  Ni266  1  0.049880  0.805490  0.717137  1
  Ni  Ni267  1  0.125639  0.570005  0.646804  1
  Ni  Ni268  1  0.127813  0.356949  0.619746  1
  Ni  Ni269  1  0.131655  0.975080  0.657775  1
  Ni  Ni270  1  0.114263  0.588856  0.694580  1
  Ni  Ni271  1  0.379925  0.223527  0.655087  1
  Ni  Ni272  1  0.378276  0.838769  0.695966  1
  Ni  Ni273  1  0.373546  0.608647  0.618679  1
  Ni  Ni274  1  0.506595  0.385332  0.683796  1
  Ni  Ni275  1  0.512391  0.155616  0.615164  1
  Ni  Ni276  1  0.490576  0.770714  0.648654  1
  Ni  Ni277  1  0.877591  0.048840  0.722226  1
  Ni  Ni278  1  0.891122  0.821013  0.645021  1
  Ni  Ni279  1  0.880855  0.435210  0.684305  1
  Ni  Ni280  1  0.564212  0.306040  0.718747  1
  Ni  Ni281  1  0.629820  0.067723  0.647706  1
  Ni  Ni282  1  0.623972  0.684919  0.686255  1
  Ni  Ni283  1  0.632132  0.090842  0.694813  1
  Ni  Ni284  1  0.631586  0.856530  0.619658  1
  Ni  Ni285  1  0.617104  0.475473  0.657773  1
  Ni  Ni286  1  0.876842  0.342855  0.696774  1
  Ni  Ni287  1  0.875484  0.107245  0.619271  1
  Ni  Ni288  1  0.882286  0.721723  0.654017  1
