# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78396812
_cell_length_b   21.40688932
_cell_length_c   51.37268583
_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   7460.52919122
_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  0.749606  0.151311  0.339735  1
  Zr  Zr2  1  0.745688  0.845456  0.297061  1
  Zr  Zr3  1  0.769983  0.548767  0.270759  1
  Zr  Zr4  1  0.249288  0.300888  0.360536  1
  Zr  Zr5  1  0.268792  0.998943  0.317665  1
  Zr  Zr6  1  0.209420  0.705372  0.282587  1
  Zr  Zr7  1  0.209420  0.205372  0.282587  1
  Zr  Zr8  1  0.249288  0.800888  0.360536  1
  Zr  Zr9  1  0.268792  0.498943  0.317665  1
  Zr  Zr10  1  0.745688  0.345456  0.297061  1
  Zr  Zr11  1  0.769983  0.048767  0.270759  1
  Zr  Zr12  1  0.749606  0.651311  0.339735  1
  Zr  Zr13  1  0.753934  0.048759  0.465168  1
  Zr  Zr14  1  0.752666  0.748917  0.423101  1
  Zr  Zr15  1  0.754073  0.449439  0.380333  1
  Zr  Zr16  1  0.253596  0.198999  0.486244  1
  Zr  Zr17  1  0.253726  0.898711  0.443992  1
  Zr  Zr18  1  0.255393  0.598839  0.402024  1
  Zr  Zr19  1  0.255393  0.098839  0.402024  1
  Zr  Zr20  1  0.253596  0.698999  0.486244  1
  Zr  Zr21  1  0.253726  0.398711  0.443992  1
  Zr  Zr22  1  0.752666  0.248917  0.423101  1
  Zr  Zr23  1  0.754073  0.949439  0.380333  1
  Zr  Zr24  1  0.753934  0.548759  0.465168  1
  Zr  Zr25  1  0.754977  0.947575  0.592069  1
  Zr  Zr26  1  0.754149  0.649005  0.549376  1
  Zr  Zr27  1  0.754545  0.348965  0.507378  1
  Zr  Zr28  1  0.257248  0.097379  0.612729  1
  Zr  Zr29  1  0.253201  0.799746  0.570534  1
  Zr  Zr30  1  0.252057  0.498650  0.528596  1
  Zr  Zr31  1  0.252057  0.998650  0.528596  1
  Zr  Zr32  1  0.257248  0.597379  0.612729  1
  Zr  Zr33  1  0.253201  0.299746  0.570534  1
  Zr  Zr34  1  0.754149  0.149005  0.549376  1
  Zr  Zr35  1  0.754545  0.848965  0.507378  1
  Zr  Zr36  1  0.754977  0.447575  0.592069  1
  Zr  Zr37  1  0.749284  0.873289  0.717008  1
  Zr  Zr38  1  0.751195  0.552951  0.674906  1
  Zr  Zr39  1  0.752478  0.247319  0.634980  1
  Zr  Zr40  1  0.231494  0.013504  0.724401  1
  Zr  Zr41  1  0.319635  0.711631  0.694988  1
  Zr  Zr42  1  0.240373  0.401610  0.654758  1
  Zr  Zr43  1  0.240373  0.901610  0.654758  1
  Zr  Zr44  1  0.231494  0.513504  0.724401  1
  Zr  Zr45  1  0.319635  0.211631  0.694988  1
  Zr  Zr46  1  0.751195  0.052951  0.674906  1
  Zr  Zr47  1  0.752478  0.747319  0.634980  1
  Zr  Zr48  1  0.749284  0.373289  0.717008  1
  Ni  Ni49  1  0.470479  0.285474  0.263523  1
  Ni  Ni50  1  0.505205  0.898369  0.338460  1
  Ni  Ni51  1  0.488450  0.601674  0.301844  1
  Ni  Ni52  1  0.875427  0.249759  0.370404  1
  Ni  Ni53  1  0.874662  0.947633  0.328584  1
  Ni  Ni54  1  0.861223  0.650845  0.288720  1
  Ni  Ni55  1  0.609485  0.220242  0.297764  1
  Ni  Ni56  1  0.630865  0.824419  0.380971  1
  Ni  Ni57  1  0.626620  0.524831  0.337427  1
  Ni  Ni58  1  0.624170  0.277163  0.338758  1
  Ni  Ni59  1  0.635624  0.964781  0.297506  1
  Ni  Ni60  1  0.544048  0.654598  0.259950  1
  Ni  Ni61  1  0.835326  0.246980  0.264108  1
  Ni  Ni62  1  0.879881  0.849026  0.349514  1
  Ni  Ni63  1  0.902808  0.547444  0.312376  1
  Ni  Ni64  1  0.020394  0.452802  0.282534  1
  Ni  Ni65  1  0.012999  0.049326  0.360973  1
  Ni  Ni66  1  0.985103  0.752400  0.319590  1
  Ni  Ni67  1  0.377178  0.100139  0.350290  1
  Ni  Ni68  1  0.362934  0.802331  0.308246  1
  Ni  Ni69  1  0.405561  0.511593  0.267050  1
  Ni  Ni70  1  0.123535  0.374060  0.316425  1
  Ni  Ni71  1  0.148177  0.079472  0.275963  1
  Ni  Ni72  1  0.123671  0.673611  0.360170  1
  Ni  Ni73  1  0.126695  0.124519  0.318747  1
  Ni  Ni74  1  0.103131  0.825059  0.273696  1
  Ni  Ni75  1  0.133189  0.426139  0.358975  1
  Ni  Ni76  1  0.375477  0.398719  0.282029  1
  Ni  Ni77  1  0.382220  0.999012  0.370685  1
  Ni  Ni78  1  0.370743  0.701241  0.330447  1
  Ni  Ni79  1  0.985103  0.252400  0.319590  1
  Ni  Ni80  1  0.020394  0.952802  0.282534  1
  Ni  Ni81  1  0.012999  0.549326  0.360973  1
  Ni  Ni82  1  0.362934  0.302331  0.308246  1
  Ni  Ni83  1  0.405561  0.011593  0.267050  1
  Ni  Ni84  1  0.377178  0.600139  0.350290  1
  Ni  Ni85  1  0.123671  0.173611  0.360170  1
  Ni  Ni86  1  0.123535  0.874060  0.316425  1
  Ni  Ni87  1  0.148177  0.579472  0.275963  1
  Ni  Ni88  1  0.103131  0.325059  0.273696  1
  Ni  Ni89  1  0.133189  0.926139  0.358975  1
  Ni  Ni90  1  0.126695  0.624519  0.318747  1
  Ni  Ni91  1  0.370743  0.201241  0.330447  1
  Ni  Ni92  1  0.375477  0.898719  0.282029  1
  Ni  Ni93  1  0.382220  0.499012  0.370685  1
  Ni  Ni94  1  0.505205  0.398369  0.338460  1
  Ni  Ni95  1  0.488450  0.101674  0.301844  1
  Ni  Ni96  1  0.470479  0.785474  0.263523  1
  Ni  Ni97  1  0.861223  0.150845  0.288720  1
  Ni  Ni98  1  0.875427  0.749759  0.370404  1
  Ni  Ni99  1  0.874662  0.447633  0.328584  1
  Ni  Ni100  1  0.630865  0.324419  0.380971  1
  Ni  Ni101  1  0.626620  0.024831  0.337427  1
  Ni  Ni102  1  0.609485  0.720242  0.297764  1
  Ni  Ni103  1  0.544048  0.154598  0.259950  1
  Ni  Ni104  1  0.624170  0.777163  0.338758  1
  Ni  Ni105  1  0.635624  0.464781  0.297506  1
  Ni  Ni106  1  0.879881  0.349026  0.349514  1
  Ni  Ni107  1  0.902808  0.047444  0.312376  1
  Ni  Ni108  1  0.835326  0.746980  0.264108  1
  Ni  Ni109  1  0.502892  0.199744  0.381127  1
  Ni  Ni110  1  0.503990  0.799060  0.465177  1
  Ni  Ni111  1  0.504796  0.498606  0.423102  1
  Ni  Ni112  1  0.877648  0.149146  0.496810  1
  Ni  Ni113  1  0.877116  0.849205  0.454578  1
  Ni  Ni114  1  0.879539  0.549374  0.412647  1
  Ni  Ni115  1  0.627801  0.123050  0.423063  1
  Ni  Ni116  1  0.629697  0.723952  0.507257  1
  Ni  Ni117  1  0.629996  0.423698  0.465192  1
  Ni  Ni118  1  0.629155  0.173907  0.465346  1
  Ni  Ni119  1  0.627532  0.874726  0.423167  1
  Ni  Ni120  1  0.635689  0.573911  0.380630  1
  Ni  Ni121  1  0.877293  0.149230  0.392269  1
  Ni  Ni122  1  0.877615  0.748568  0.475656  1
  Ni  Ni123  1  0.877225  0.448642  0.433379  1
  Ni  Ni124  1  1.001866  0.349193  0.401743  1
  Ni  Ni125  1  0.003377  0.948790  0.486173  1
  Ni  Ni126  1  0.004009  0.648782  0.444204  1
  Ni  Ni127  1  0.377667  0.999036  0.475751  1
  Ni  Ni128  1  0.377805  0.699277  0.433723  1
  Ni  Ni129  1  0.376299  0.399210  0.391237  1
  Ni  Ni130  1  0.129998  0.274013  0.444123  1
  Ni  Ni131  1  0.128293  0.973433  0.401579  1
  Ni  Ni132  1  0.128669  0.573372  0.486246  1
  Ni  Ni133  1  0.130313  0.023707  0.444159  1
  Ni  Ni134  1  0.128348  0.724494  0.402306  1
  Ni  Ni135  1  0.128420  0.324328  0.486434  1
  Ni  Ni136  1  0.377845  0.298558  0.412439  1
  Ni  Ni137  1  0.377465  0.898562  0.496788  1
  Ni  Ni138  1  0.376926  0.598599  0.454820  1
  Ni  Ni139  1  0.004009  0.148782  0.444204  1
  Ni  Ni140  1  1.001866  0.849193  0.401743  1
  Ni  Ni141  1  0.003377  0.448790  0.486173  1
  Ni  Ni142  1  0.377805  0.199277  0.433723  1
  Ni  Ni143  1  0.376299  0.899210  0.391237  1
  Ni  Ni144  1  0.377667  0.499036  0.475751  1
  Ni  Ni145  1  0.128669  0.073372  0.486246  1
  Ni  Ni146  1  0.129998  0.774013  0.444123  1
  Ni  Ni147  1  0.128293  0.473433  0.401579  1
  Ni  Ni148  1  0.128348  0.224494  0.402306  1
  Ni  Ni149  1  0.128420  0.824328  0.486434  1
  Ni  Ni150  1  0.130313  0.523707  0.444159  1
  Ni  Ni151  1  0.376926  0.098599  0.454820  1
  Ni  Ni152  1  0.377845  0.798558  0.412439  1
  Ni  Ni153  1  0.377465  0.398562  0.496788  1
  Ni  Ni154  1  0.503990  0.299060  0.465177  1
  Ni  Ni155  1  0.504796  0.998606  0.423102  1
  Ni  Ni156  1  0.502892  0.699744  0.381127  1
  Ni  Ni157  1  0.879539  0.049374  0.412647  1
  Ni  Ni158  1  0.877648  0.649146  0.496810  1
  Ni  Ni159  1  0.877116  0.349205  0.454578  1
  Ni  Ni160  1  0.629697  0.223952  0.507257  1
  Ni  Ni161  1  0.629996  0.923698  0.465192  1
  Ni  Ni162  1  0.627801  0.623050  0.423063  1
  Ni  Ni163  1  0.635689  0.073911  0.380630  1
  Ni  Ni164  1  0.629155  0.673907  0.465346  1
  Ni  Ni165  1  0.627532  0.374726  0.423167  1
  Ni  Ni166  1  0.877615  0.248568  0.475656  1
  Ni  Ni167  1  0.877225  0.948642  0.433379  1
  Ni  Ni168  1  0.877293  0.649230  0.392269  1
  Ni  Ni169  1  0.502887  0.098638  0.507354  1
  Ni  Ni170  1  0.503115  0.699121  0.591418  1
  Ni  Ni171  1  0.504845  0.398909  0.549634  1
  Ni  Ni172  1  0.871944  0.046637  0.622487  1
  Ni  Ni173  1  0.876006  0.749031  0.581507  1
  Ni  Ni174  1  0.877109  0.448917  0.539064  1
  Ni  Ni175  1  0.629355  0.023324  0.549324  1
  Ni  Ni176  1  0.629716  0.624987  0.632950  1
  Ni  Ni177  1  0.629121  0.323096  0.591769  1
  Ni  Ni178  1  0.628480  0.073806  0.591138  1
  Ni  Ni179  1  0.628989  0.774116  0.549651  1
  Ni  Ni180  1  0.629109  0.474050  0.507397  1
  Ni  Ni181  1  0.877328  0.048462  0.517863  1
  Ni  Ni182  1  0.879730  0.646916  0.601047  1
  Ni  Ni183  1  0.876970  0.348304  0.560095  1
  Ni  Ni184  1  0.003947  0.249006  0.528471  1
  Ni  Ni185  1  0.998556  0.848262  0.612737  1
  Ni  Ni186  1  0.003123  0.548900  0.570451  1
  Ni  Ni187  1  0.378129  0.900127  0.602279  1
  Ni  Ni188  1  0.377317  0.599056  0.559748  1
  Ni  Ni189  1  0.377825  0.299311  0.517898  1
  Ni  Ni190  1  0.132038  0.174387  0.570408  1
  Ni  Ni191  1  0.129322  0.873812  0.528520  1
  Ni  Ni192  1  0.133238  0.474745  0.613642  1
  Ni  Ni193  1  0.126801  0.924492  0.571154  1
  Ni  Ni194  1  0.128613  0.624109  0.528512  1
  Ni  Ni195  1  0.127766  0.223907  0.612807  1
  Ni  Ni196  1  0.377985  0.198708  0.538846  1
  Ni  Ni197  1  0.375448  0.800437  0.622787  1
  Ni  Ni198  1  0.378441  0.498106  0.580861  1
  Ni  Ni199  1  0.003123  0.048900  0.570451  1
  Ni  Ni200  1  0.003947  0.749006  0.528471  1
  Ni  Ni201  1  0.998556  0.348262  0.612737  1
  Ni  Ni202  1  0.377317  0.099056  0.559748  1
  Ni  Ni203  1  0.377825  0.799311  0.517898  1
  Ni  Ni204  1  0.378129  0.400127  0.602279  1
  Ni  Ni205  1  0.133238  0.974745  0.613642  1
  Ni  Ni206  1  0.132038  0.674387  0.570408  1
  Ni  Ni207  1  0.129322  0.373812  0.528520  1
  Ni  Ni208  1  0.128613  0.124109  0.528512  1
  Ni  Ni209  1  0.127766  0.723907  0.612807  1
  Ni  Ni210  1  0.126801  0.424492  0.571154  1
  Ni  Ni211  1  0.378441  0.998106  0.580861  1
  Ni  Ni212  1  0.377985  0.698708  0.538846  1
  Ni  Ni213  1  0.375448  0.300437  0.622787  1
  Ni  Ni214  1  0.503115  0.199121  0.591418  1
  Ni  Ni215  1  0.504845  0.898909  0.549634  1
  Ni  Ni216  1  0.502887  0.598638  0.507354  1
  Ni  Ni217  1  0.877109  0.948917  0.539064  1
  Ni  Ni218  1  0.871944  0.546637  0.622487  1
  Ni  Ni219  1  0.876006  0.249031  0.581507  1
  Ni  Ni220  1  0.629716  0.124987  0.632950  1
  Ni  Ni221  1  0.629121  0.823096  0.591769  1
  Ni  Ni222  1  0.629355  0.523324  0.549324  1
  Ni  Ni223  1  0.629109  0.974050  0.507397  1
  Ni  Ni224  1  0.628480  0.573806  0.591138  1
  Ni  Ni225  1  0.628989  0.274116  0.549651  1
  Ni  Ni226  1  0.879730  0.146916  0.601047  1
  Ni  Ni227  1  0.876970  0.848304  0.560095  1
  Ni  Ni228  1  0.877328  0.548462  0.517863  1
  Ni  Ni229  1  0.507003  0.997387  0.632989  1
  Ni  Ni230  1  0.473941  0.601694  0.707134  1
  Ni  Ni231  1  0.474054  0.314569  0.673341  1
  Ni  Ni232  1  0.877923  0.964150  0.749332  1
  Ni  Ni233  1  0.810688  0.660248  0.718595  1
  Ni  Ni234  1  0.849420  0.338859  0.668714  1
  Ni  Ni235  1  0.624937  0.927998  0.675399  1
  Ni  Ni236  1  0.565816  0.578345  0.749064  1
  Ni  Ni237  1  0.691636  0.263102  0.704258  1
  Ni  Ni238  1  0.620170  0.990487  0.717040  1
  Ni  Ni239  1  0.655592  0.671981  0.675806  1
  Ni  Ni240  1  0.630345  0.373700  0.634107  1
  Ni  Ni241  1  0.880732  0.944749  0.645149  1
  Ni  Ni242  1  0.885157  0.557980  0.726259  1
  Ni  Ni243  1  0.963881  0.219466  0.683579  1
  Ni  Ni244  1  0.006314  0.145261  0.648444  1
  Ni  Ni245  1  0.033639  0.755591  0.729383  1
  Ni  Ni246  1  0.989451  0.450861  0.694907  1
  Ni  Ni247  1  0.393873  0.804360  0.728327  1
  Ni  Ni248  1  0.376422  0.503031  0.681310  1
  Ni  Ni249  1  0.380556  0.202602  0.644275  1
  Ni  Ni250  1  0.091724  0.105304  0.692689  1
  Ni  Ni251  1  0.127474  0.780305  0.652994  1
  Ni  Ni252  1  0.106228  0.380913  0.737645  1
  Ni  Ni253  1  0.119918  0.827149  0.696466  1
  Ni  Ni254  1  0.106704  0.527472  0.656849  1
  Ni  Ni255  1  0.177004  0.140117  0.735517  1
  Ni  Ni256  1  0.367024  0.102593  0.663157  1
  Ni  Ni257  1  0.503582  0.693810  0.738720  1
  Ni  Ni258  1  0.364926  0.404276  0.706283  1
  Ni  Ni259  1  0.989451  0.950861  0.694907  1
  Ni  Ni260  1  0.006314  0.645261  0.648444  1
  Ni  Ni261  1  0.033639  0.255591  0.729383  1
  Ni  Ni262  1  0.376422  1.003031  0.681310  1
  Ni  Ni263  1  0.380556  0.702602  0.644275  1
  Ni  Ni264  1  0.393873  0.304360  0.728327  1
  Ni  Ni265  1  0.106228  0.880913  0.737645  1
  Ni  Ni266  1  0.091724  0.605304  0.692689  1
  Ni  Ni267  1  0.127474  0.280305  0.652994  1
  Ni  Ni268  1  0.106704  0.027472  0.656849  1
  Ni  Ni269  1  0.177004  0.640117  0.735517  1
  Ni  Ni270  1  0.119918  0.327149  0.696466  1
  Ni  Ni271  1  0.364926  0.904276  0.706283  1
  Ni  Ni272  1  0.367024  0.602593  0.663157  1
  Ni  Ni273  1  0.503582  0.193810  0.738720  1
  Ni  Ni274  1  0.473941  0.101694  0.707134  1
  Ni  Ni275  1  0.474054  0.814569  0.673341  1
  Ni  Ni276  1  0.507003  0.497387  0.632989  1
  Ni  Ni277  1  0.849420  0.838859  0.668714  1
  Ni  Ni278  1  0.877923  0.464150  0.749332  1
  Ni  Ni279  1  0.810688  0.160248  0.718595  1
  Ni  Ni280  1  0.565816  0.078345  0.749064  1
  Ni  Ni281  1  0.691636  0.763102  0.704258  1
  Ni  Ni282  1  0.624937  0.427998  0.675399  1
  Ni  Ni283  1  0.630345  0.873700  0.634107  1
  Ni  Ni284  1  0.620170  0.490487  0.717040  1
  Ni  Ni285  1  0.655592  0.171981  0.675806  1
  Ni  Ni286  1  0.885157  0.057980  0.726259  1
  Ni  Ni287  1  0.963881  0.719466  0.683579  1
  Ni  Ni288  1  0.880732  0.444749  0.645149  1
