# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80175777
_cell_length_b   24.58001811
_cell_length_c   50.85519505
_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   8502.34424116
_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  0.758542  0.748276  0.364692  1
  Zr  Zr2  1  0.721347  0.525658  0.301821  1
  Zr  Zr3  1  0.753221  0.134102  0.328284  1
  Zr  Zr4  1  0.253221  0.634102  0.328284  1
  Zr  Zr5  1  0.258542  0.248276  0.364692  1
  Zr  Zr6  1  0.221347  0.025658  0.301821  1
  Zr  Zr7  1  0.233058  0.826299  0.316359  1
  Zr  Zr8  1  0.255600  0.441138  0.345372  1
  Zr  Zr9  1  0.253295  0.056855  0.383371  1
  Zr  Zr10  1  0.753295  0.556855  0.383371  1
  Zr  Zr11  1  0.733058  0.326299  0.316359  1
  Zr  Zr12  1  0.755600  0.941138  0.345372  1
  Zr  Zr13  1  0.755304  0.594943  0.476509  1
  Zr  Zr14  1  0.754190  0.364911  0.402075  1
  Zr  Zr15  1  0.755293  0.979799  0.439312  1
  Zr  Zr16  1  0.255293  0.479799  0.439312  1
  Zr  Zr17  1  0.255304  0.094943  0.476509  1
  Zr  Zr18  1  0.254190  0.864911  0.402075  1
  Zr  Zr19  1  0.254624  0.672059  0.420544  1
  Zr  Zr20  1  0.255569  0.287307  0.458139  1
  Zr  Zr21  1  0.255542  0.902790  0.495124  1
  Zr  Zr22  1  0.755542  0.402790  0.495124  1
  Zr  Zr23  1  0.754624  0.172059  0.420544  1
  Zr  Zr24  1  0.755569  0.787307  0.458139  1
  Zr  Zr25  1  0.754813  0.441068  0.588719  1
  Zr  Zr26  1  0.755384  0.210380  0.514230  1
  Zr  Zr27  1  0.755838  0.825901  0.551201  1
  Zr  Zr28  1  0.255838  0.325901  0.551201  1
  Zr  Zr29  1  0.254813  0.941068  0.588719  1
  Zr  Zr30  1  0.255384  0.710380  0.514230  1
  Zr  Zr31  1  0.255452  0.518298  0.532834  1
  Zr  Zr32  1  0.254683  0.133366  0.570026  1
  Zr  Zr33  1  0.253682  0.748130  0.607211  1
  Zr  Zr34  1  0.753682  0.248130  0.607211  1
  Zr  Zr35  1  0.755452  0.018298  0.532834  1
  Zr  Zr36  1  0.754683  0.633366  0.570026  1
  Zr  Zr37  1  0.730506  0.287638  0.691506  1
  Zr  Zr38  1  0.755088  0.056357  0.626204  1
  Zr  Zr39  1  0.752564  0.672361  0.663931  1
  Zr  Zr40  1  0.252564  0.172361  0.663931  1
  Zr  Zr41  1  0.230506  0.787638  0.691506  1
  Zr  Zr42  1  0.255088  0.556357  0.626204  1
  Zr  Zr43  1  0.260755  0.365611  0.644567  1
  Zr  Zr44  1  0.255285  0.979262  0.681769  1
  Zr  Zr45  1  0.213715  0.593600  0.706058  1
  Zr  Zr46  1  0.713715  0.093600  0.706058  1
  Zr  Zr47  1  0.760755  0.865611  0.644567  1
  Zr  Zr48  1  0.755285  0.479262  0.681769  1
  Ni  Ni49  1  0.992436  0.845673  0.356739  1
  Ni  Ni50  1  0.993979  0.611307  0.289657  1
  Ni  Ni51  1  1.000739  0.232641  0.323134  1
  Ni  Ni52  1  0.378189  0.508557  0.387947  1
  Ni  Ni53  1  0.372331  0.276675  0.311782  1
  Ni  Ni54  1  0.378197  0.893265  0.352451  1
  Ni  Ni55  1  0.629955  0.834409  0.332970  1
  Ni  Ni56  1  0.622311  0.451683  0.367946  1
  Ni  Ni57  1  0.680609  0.219725  0.295538  1
  Ni  Ni58  1  0.131880  0.547075  0.359643  1
  Ni  Ni59  1  0.057344  0.312106  0.288874  1
  Ni  Ni60  1  0.126071  0.929314  0.321513  1
  Ni  Ni61  1  0.857527  0.873920  0.303010  1
  Ni  Ni62  1  0.882594  0.488287  0.343138  1
  Ni  Ni63  1  0.881734  0.104424  0.379029  1
  Ni  Ni64  1  0.500739  0.732641  0.323134  1
  Ni  Ni65  1  0.492436  0.345673  0.356739  1
  Ni  Ni66  1  0.493979  0.111307  0.289657  1
  Ni  Ni67  1  0.872331  0.776675  0.311782  1
  Ni  Ni68  1  0.878197  0.393265  0.352451  1
  Ni  Ni69  1  0.878189  0.008557  0.387947  1
  Ni  Ni70  1  0.180609  0.719725  0.295538  1
  Ni  Ni71  1  0.129955  0.334409  0.332970  1
  Ni  Ni72  1  0.122311  0.951683  0.367946  1
  Ni  Ni73  1  0.557344  0.812106  0.288874  1
  Ni  Ni74  1  0.626071  0.429314  0.321513  1
  Ni  Ni75  1  0.631880  0.047075  0.359643  1
  Ni  Ni76  1  0.381734  0.604424  0.379029  1
  Ni  Ni77  1  0.357527  0.373920  0.303010  1
  Ni  Ni78  1  0.382594  0.988287  0.343138  1
  Ni  Ni79  1  0.495612  0.919376  0.306352  1
  Ni  Ni80  1  0.483044  0.539501  0.338525  1
  Ni  Ni81  1  0.505974  0.152703  0.373535  1
  Ni  Ni82  1  0.877906  0.587925  0.334284  1
  Ni  Ni83  1  0.878693  0.200513  0.369875  1
  Ni  Ni84  1  0.873798  0.972515  0.295455  1
  Ni  Ni85  1  0.129114  0.758852  0.388127  1
  Ni  Ni86  1  0.117059  0.526407  0.312598  1
  Ni  Ni87  1  0.124075  0.143033  0.349454  1
  Ni  Ni88  1  0.620837  0.630534  0.302304  1
  Ni  Ni89  1  0.629224  0.238984  0.341747  1
  Ni  Ni90  1  0.634274  0.855092  0.379000  1
  Ni  Ni91  1  0.384714  0.796295  0.361976  1
  Ni  Ni92  1  0.361718  0.572468  0.286887  1
  Ni  Ni93  1  0.386744  0.182260  0.322312  1
  Ni  Ni94  1  0.005974  0.652703  0.373535  1
  Ni  Ni95  1  0.995612  0.419376  0.306352  1
  Ni  Ni96  1  0.983044  0.039501  0.338525  1
  Ni  Ni97  1  0.378693  0.700513  0.369875  1
  Ni  Ni98  1  0.373798  0.472515  0.295455  1
  Ni  Ni99  1  0.377906  0.087925  0.334284  1
  Ni  Ni100  1  0.624075  0.643033  0.349454  1
  Ni  Ni101  1  0.629114  0.258852  0.388127  1
  Ni  Ni102  1  0.617059  0.026407  0.312598  1
  Ni  Ni103  1  0.129224  0.738984  0.341747  1
  Ni  Ni104  1  0.134274  0.355092  0.379000  1
  Ni  Ni105  1  0.120837  0.130534  0.302304  1
  Ni  Ni106  1  0.886744  0.682260  0.322312  1
  Ni  Ni107  1  0.884714  0.296295  0.361976  1
  Ni  Ni108  1  0.861718  0.072468  0.286887  1
  Ni  Ni109  1  0.005800  0.691146  0.467402  1
  Ni  Ni110  1  0.009044  0.460516  0.392060  1
  Ni  Ni111  1  0.004731  0.075818  0.429798  1
  Ni  Ni112  1  0.380211  0.354762  0.499991  1
  Ni  Ni113  1  0.379849  0.123926  0.425213  1
  Ni  Ni114  1  0.380131  0.739285  0.462777  1
  Ni  Ni115  1  0.629404  0.681331  0.443902  1
  Ni  Ni116  1  0.631190  0.296988  0.481379  1
  Ni  Ni117  1  0.630096  0.066239  0.406519  1
  Ni  Ni118  1  0.130150  0.393230  0.472018  1
  Ni  Ni119  1  0.132992  0.162557  0.397036  1
  Ni  Ni120  1  0.130555  0.777721  0.434851  1
  Ni  Ni121  1  0.879213  0.720338  0.416348  1
  Ni  Ni122  1  0.880424  0.335381  0.453079  1
  Ni  Ni123  1  0.879827  0.950933  0.490655  1
  Ni  Ni124  1  0.504731  0.575818  0.429798  1
  Ni  Ni125  1  0.505800  0.191146  0.467402  1
  Ni  Ni126  1  0.509044  0.960516  0.392060  1
  Ni  Ni127  1  0.879849  0.623926  0.425213  1
  Ni  Ni128  1  0.880131  0.239285  0.462777  1
  Ni  Ni129  1  0.880211  0.854762  0.499991  1
  Ni  Ni130  1  0.130096  0.566239  0.406519  1
  Ni  Ni131  1  0.129404  0.181331  0.443902  1
  Ni  Ni132  1  0.131190  0.796988  0.481379  1
  Ni  Ni133  1  0.632992  0.662557  0.397036  1
  Ni  Ni134  1  0.630555  0.277721  0.434851  1
  Ni  Ni135  1  0.630150  0.893230  0.472018  1
  Ni  Ni136  1  0.379827  0.450933  0.490655  1
  Ni  Ni137  1  0.379213  0.220338  0.416348  1
  Ni  Ni138  1  0.380424  0.835381  0.453079  1
  Ni  Ni139  1  0.507912  0.768401  0.411207  1
  Ni  Ni140  1  0.505117  0.383493  0.448440  1
  Ni  Ni141  1  0.505837  0.998998  0.486036  1
  Ni  Ni142  1  0.880039  0.431632  0.443772  1
  Ni  Ni143  1  0.879762  0.047064  0.481360  1
  Ni  Ni144  1  0.881807  0.816492  0.406771  1
  Ni  Ni145  1  0.130440  0.604626  0.500062  1
  Ni  Ni146  1  0.132678  0.374005  0.425423  1
  Ni  Ni147  1  0.130197  0.989249  0.462508  1
  Ni  Ni148  1  0.630611  0.470289  0.415667  1
  Ni  Ni149  1  0.630134  0.085423  0.453314  1
  Ni  Ni150  1  0.630616  0.700647  0.490654  1
  Ni  Ni151  1  0.379085  0.643170  0.472004  1
  Ni  Ni152  1  0.381139  0.412567  0.397202  1
  Ni  Ni153  1  0.379582  0.027758  0.434457  1
  Ni  Ni154  1  0.005837  0.498998  0.486036  1
  Ni  Ni155  1  0.007912  0.268401  0.411207  1
  Ni  Ni156  1  0.005117  0.883493  0.448440  1
  Ni  Ni157  1  0.379762  0.547064  0.481360  1
  Ni  Ni158  1  0.381807  0.316492  0.406771  1
  Ni  Ni159  1  0.380039  0.931632  0.443772  1
  Ni  Ni160  1  0.630197  0.489249  0.462508  1
  Ni  Ni161  1  0.630440  0.104626  0.500062  1
  Ni  Ni162  1  0.632678  0.874005  0.425423  1
  Ni  Ni163  1  0.130134  0.585423  0.453314  1
  Ni  Ni164  1  0.130616  0.200647  0.490654  1
  Ni  Ni165  1  0.130611  0.970289  0.415667  1
  Ni  Ni166  1  0.879582  0.527758  0.434457  1
  Ni  Ni167  1  0.879085  0.143170  0.472004  1
  Ni  Ni168  1  0.881139  0.912567  0.397202  1
  Ni  Ni169  1  0.004886  0.537405  0.579652  1
  Ni  Ni170  1  0.005354  0.306581  0.504669  1
  Ni  Ni171  1  0.005838  0.922067  0.541893  1
  Ni  Ni172  1  0.380499  0.200490  0.612159  1
  Ni  Ni173  1  0.379191  0.970039  0.537317  1
  Ni  Ni174  1  0.379665  0.585459  0.574954  1
  Ni  Ni175  1  0.630389  0.527821  0.556051  1
  Ni  Ni176  1  0.629981  0.142642  0.593779  1
  Ni  Ni177  1  0.630710  0.912571  0.518641  1
  Ni  Ni178  1  0.132940  0.239199  0.583856  1
  Ni  Ni179  1  0.130365  0.008597  0.509303  1
  Ni  Ni180  1  0.129944  0.623942  0.546889  1
  Ni  Ni181  1  0.879805  0.566138  0.527975  1
  Ni  Ni182  1  0.879520  0.181581  0.565636  1
  Ni  Ni183  1  0.882540  0.796703  0.602524  1
  Ni  Ni184  1  0.505838  0.422067  0.541893  1
  Ni  Ni185  1  0.504886  0.037405  0.579652  1
  Ni  Ni186  1  0.505354  0.806581  0.504669  1
  Ni  Ni187  1  0.879191  0.470039  0.537317  1
  Ni  Ni188  1  0.879665  0.085459  0.574954  1
  Ni  Ni189  1  0.880499  0.700490  0.612159  1
  Ni  Ni190  1  0.130710  0.412571  0.518641  1
  Ni  Ni191  1  0.130389  0.027821  0.556051  1
  Ni  Ni192  1  0.129981  0.642642  0.593779  1
  Ni  Ni193  1  0.630365  0.508597  0.509303  1
  Ni  Ni194  1  0.629944  0.123942  0.546889  1
  Ni  Ni195  1  0.632940  0.739199  0.583856  1
  Ni  Ni196  1  0.382540  0.296703  0.602524  1
  Ni  Ni197  1  0.379805  0.066138  0.527975  1
  Ni  Ni198  1  0.379520  0.681581  0.565636  1
  Ni  Ni199  1  0.505659  0.614213  0.523295  1
  Ni  Ni200  1  0.504794  0.229629  0.560916  1
  Ni  Ni201  1  0.508399  0.844905  0.598113  1
  Ni  Ni202  1  0.880495  0.277826  0.556273  1
  Ni  Ni203  1  0.879438  0.892900  0.592973  1
  Ni  Ni204  1  0.879651  0.662254  0.518691  1
  Ni  Ni205  1  0.132286  0.450886  0.612055  1
  Ni  Ni206  1  0.129726  0.219912  0.537294  1
  Ni  Ni207  1  0.130971  0.835541  0.574492  1
  Ni  Ni208  1  0.631225  0.316154  0.527965  1
  Ni  Ni209  1  0.629726  0.931839  0.565344  1
  Ni  Ni210  1  0.630190  0.546770  0.602878  1
  Ni  Ni211  1  0.380004  0.489311  0.584076  1
  Ni  Ni212  1  0.380046  0.258417  0.509351  1
  Ni  Ni213  1  0.380391  0.873882  0.546507  1
  Ni  Ni214  1  0.008399  0.344905  0.598113  1
  Ni  Ni215  1  0.005659  0.114213  0.523295  1
  Ni  Ni216  1  0.004794  0.729629  0.560916  1
  Ni  Ni217  1  0.379438  0.392900  0.592973  1
  Ni  Ni218  1  0.379651  0.162254  0.518691  1
  Ni  Ni219  1  0.380495  0.777826  0.556273  1
  Ni  Ni220  1  0.630971  0.335541  0.574492  1
  Ni  Ni221  1  0.632286  0.950886  0.612055  1
  Ni  Ni222  1  0.629726  0.719912  0.537294  1
  Ni  Ni223  1  0.129726  0.431839  0.565344  1
  Ni  Ni224  1  0.130190  0.046770  0.602878  1
  Ni  Ni225  1  0.131225  0.816154  0.527965  1
  Ni  Ni226  1  0.880391  0.373882  0.546507  1
  Ni  Ni227  1  0.880004  0.989311  0.584076  1
  Ni  Ni228  1  0.880046  0.758417  0.509351  1
  Ni  Ni229  1  0.006741  0.382271  0.685537  1
  Ni  Ni230  1  0.008551  0.152739  0.617195  1
  Ni  Ni231  1  0.990007  0.766869  0.652324  1
  Ni  Ni232  1  0.379768  0.046405  0.722867  1
  Ni  Ni233  1  0.386758  0.817810  0.647045  1
  Ni  Ni234  1  0.389556  0.431368  0.687867  1
  Ni  Ni235  1  0.629768  0.375926  0.667302  1
  Ni  Ni236  1  0.608830  0.983822  0.705525  1
  Ni  Ni237  1  0.634137  0.758493  0.630160  1
  Ni  Ni238  1  0.120740  0.087378  0.696899  1
  Ni  Ni239  1  0.129958  0.854380  0.621247  1
  Ni  Ni240  1  0.129209  0.470544  0.659341  1
  Ni  Ni241  1  0.879421  0.413454  0.639547  1
  Ni  Ni242  1  0.878263  0.025851  0.676428  1
  Ni  Ni243  1  0.867941  0.644488  0.714230  1
  Ni  Ni244  1  0.490007  0.266869  0.652324  1
  Ni  Ni245  1  0.506741  0.882271  0.685537  1
  Ni  Ni246  1  0.508551  0.652739  0.617195  1
  Ni  Ni247  1  0.886758  0.317810  0.647045  1
  Ni  Ni248  1  0.889556  0.931368  0.687867  1
  Ni  Ni249  1  0.879768  0.546405  0.722867  1
  Ni  Ni250  1  0.134137  0.258493  0.630160  1
  Ni  Ni251  1  0.129768  0.875926  0.667302  1
  Ni  Ni252  1  0.108830  0.483822  0.705525  1
  Ni  Ni253  1  0.629958  0.354380  0.621247  1
  Ni  Ni254  1  0.629209  0.970544  0.659341  1
  Ni  Ni255  1  0.620740  0.587378  0.696899  1
  Ni  Ni256  1  0.367941  0.144488  0.714230  1
  Ni  Ni257  1  0.379421  0.913454  0.639547  1
  Ni  Ni258  1  0.378263  0.525851  0.676428  1
  Ni  Ni259  1  0.508201  0.461080  0.636498  1
  Ni  Ni260  1  0.480167  0.072635  0.670761  1
  Ni  Ni261  1  0.491982  0.694658  0.702715  1
  Ni  Ni262  1  0.884956  0.125358  0.665946  1
  Ni  Ni263  1  0.853122  0.741393  0.706403  1
  Ni  Ni264  1  0.881415  0.508778  0.630531  1
  Ni  Ni265  1  0.049571  0.304533  0.719790  1
  Ni  Ni266  1  0.130626  0.065038  0.649969  1
  Ni  Ni267  1  0.121315  0.686376  0.687277  1
  Ni  Ni268  1  0.620766  0.160930  0.641654  1
  Ni  Ni269  1  0.629244  0.779568  0.676085  1
  Ni  Ni270  1  0.697642  0.387266  0.713217  1
  Ni  Ni271  1  0.371760  0.337486  0.697295  1
  Ni  Ni272  1  0.376376  0.104536  0.621499  1
  Ni  Ni273  1  0.377647  0.720035  0.656439  1
  Ni  Ni274  1  0.991982  0.194658  0.702715  1
  Ni  Ni275  1  0.008201  0.961080  0.636498  1
  Ni  Ni276  1  0.980167  0.572635  0.670761  1
  Ni  Ni277  1  0.353122  0.241393  0.706403  1
  Ni  Ni278  1  0.381415  0.008778  0.630531  1
  Ni  Ni279  1  0.384956  0.625358  0.665946  1
  Ni  Ni280  1  0.621315  0.186376  0.687277  1
  Ni  Ni281  1  0.549571  0.804533  0.719790  1
  Ni  Ni282  1  0.630626  0.565038  0.649969  1
  Ni  Ni283  1  0.129244  0.279568  0.676085  1
  Ni  Ni284  1  0.197642  0.887266  0.713217  1
  Ni  Ni285  1  0.120766  0.660930  0.641654  1
  Ni  Ni286  1  0.877647  0.220035  0.656439  1
  Ni  Ni287  1  0.871760  0.837486  0.697295  1
  Ni  Ni288  1  0.876376  0.604536  0.621499  1
