# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63836974
_cell_length_b   15.14939747
_cell_length_c   49.78909364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr40 Ni200'
_cell_volume   6896.90776213
_cell_formula_units_Z   40
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  0.861509  0.724452  0.331049  1
  Zr  Zr2  1  0.645097  0.271710  0.298892  1
  Zr  Zr3  1  0.751090  1.001206  0.312942  1
  Zr  Zr4  1  0.974843  0.449707  0.352525  1
  Zr  Zr5  1  0.251760  1.002736  0.311714  1
  Zr  Zr6  1  0.473357  0.446563  0.351915  1
  Zr  Zr7  1  0.363037  0.724446  0.331064  1
  Zr  Zr8  1  0.127442  0.271659  0.298888  1
  Zr  Zr9  1  0.306769  0.613824  0.421576  1
  Zr  Zr10  1  0.086419  0.169152  0.377006  1
  Zr  Zr11  1  0.194909  0.889381  0.400308  1
  Zr  Zr12  1  0.418526  0.336734  0.444865  1
  Zr  Zr13  1  0.694968  0.889559  0.400214  1
  Zr  Zr14  1  0.918881  0.337496  0.445264  1
  Zr  Zr15  1  0.807423  0.613809  0.421570  1
  Zr  Zr16  1  0.583015  0.169172  0.376996  1
  Zr  Zr17  1  0.752511  0.504002  0.513746  1
  Zr  Zr18  1  0.529844  0.059595  0.467425  1
  Zr  Zr19  1  0.640515  0.780610  0.490554  1
  Zr  Zr20  1  0.863756  0.227174  0.535927  1
  Zr  Zr21  1  0.140444  0.780463  0.490644  1
  Zr  Zr22  1  0.363629  0.226894  0.535823  1
  Zr  Zr23  1  0.251878  0.504011  0.513747  1
  Zr  Zr24  1  0.030104  0.059590  0.467423  1
  Zr  Zr25  1  0.199535  0.397127  0.604585  1
  Zr  Zr26  1  0.973812  0.947499  0.559320  1
  Zr  Zr27  1  0.085617  0.670818  0.583523  1
  Zr  Zr28  1  0.308128  0.115808  0.624599  1
  Zr  Zr29  1  0.585673  0.670927  0.583619  1
  Zr  Zr30  1  0.807506  0.114503  0.624719  1
  Zr  Zr31  1  0.698033  0.397133  0.604590  1
  Zr  Zr32  1  0.474063  0.947495  0.559321  1
  Zr  Zr33  1  0.640201  0.279289  0.692190  1
  Zr  Zr34  1  0.418117  0.836853  0.650331  1
  Zr  Zr35  1  0.526461  0.552111  0.673862  1
  Zr  Zr36  1  0.767235  0.035078  0.708328  1
  Zr  Zr37  1  0.027390  0.554111  0.675898  1
  Zr  Zr38  1  0.266765  0.034387  0.708061  1
  Zr  Zr39  1  0.140743  0.279336  0.692171  1
  Zr  Zr40  1  0.919052  0.836843  0.650331  1
  Ni  Ni41  1  0.943603  0.886312  0.303472  1
  Ni  Ni42  1  0.168775  0.340805  0.345509  1
  Ni  Ni43  1  0.744524  0.735311  0.279784  1
  Ni  Ni44  1  0.952687  0.160942  0.329348  1
  Ni  Ni45  1  0.624808  0.749475  0.358801  1
  Ni  Ni46  1  0.402478  0.304744  0.312203  1
  Ni  Ni47  1  0.657074  0.813745  0.313246  1
  Ni  Ni48  1  0.880104  0.260207  0.358347  1
  Ni  Ni49  1  0.990395  0.731525  0.280315  1
  Ni  Ni50  1  0.207849  0.160539  0.327377  1
  Ni  Ni51  1  0.060512  0.620536  0.318556  1
  Ni  Ni52  1  0.833241  0.165831  0.285694  1
  Ni  Ni53  1  0.070916  0.890043  0.349675  1
  Ni  Ni54  1  0.849461  0.447705  0.300689  1
  Ni  Ni55  1  0.510639  0.025209  0.337319  1
  Ni  Ni56  1  0.299478  0.591884  0.290557  1
  Ni  Ni57  1  0.549279  0.075218  0.290836  1
  Ni  Ni58  1  0.763895  0.528467  0.335026  1
  Ni  Ni59  1  0.319390  0.889985  0.349707  1
  Ni  Ni60  1  0.098187  0.447476  0.300776  1
  Ni  Ni61  1  0.559324  0.618889  0.318604  1
  Ni  Ni62  1  0.777659  0.054819  0.367286  1
  Ni  Ni63  1  0.569120  0.889137  0.349990  1
  Ni  Ni64  1  0.347488  0.444815  0.300882  1
  Ni  Ni65  1  0.014800  0.025223  0.337333  1
  Ni  Ni66  1  0.790671  0.591972  0.290548  1
  Ni  Ni67  1  0.026838  0.075183  0.290843  1
  Ni  Ni68  1  0.264775  0.528459  0.335037  1
  Ni  Ni69  1  0.820294  0.889035  0.350036  1
  Ni  Ni70  1  0.597317  0.444652  0.300945  1
  Ni  Ni71  1  0.442925  0.886219  0.303463  1
  Ni  Ni72  1  0.671971  0.340817  0.345512  1
  Ni  Ni73  1  0.243194  0.732895  0.280172  1
  Ni  Ni74  1  0.453192  0.160732  0.327292  1
  Ni  Ni75  1  0.125059  0.749978  0.358610  1
  Ni  Ni76  1  0.904803  0.309411  0.314323  1
  Ni  Ni77  1  0.157670  0.815104  0.312933  1
  Ni  Ni78  1  0.379219  0.258362  0.357499  1
  Ni  Ni79  1  0.491522  0.733764  0.279971  1
  Ni  Ni80  1  0.708565  0.160726  0.329388  1
  Ni  Ni81  1  0.389592  0.779254  0.388312  1
  Ni  Ni82  1  0.613730  0.226146  0.432909  1
  Ni  Ni83  1  0.181345  0.613171  0.370168  1
  Ni  Ni84  1  0.403194  0.058573  0.416822  1
  Ni  Ni85  1  0.070708  0.641191  0.450938  1
  Ni  Ni86  1  0.848092  0.195990  0.403795  1
  Ni  Ni87  1  0.097722  0.695226  0.404665  1
  Ni  Ni88  1  0.322406  0.144761  0.450026  1
  Ni  Ni89  1  0.431965  0.611992  0.370172  1
  Ni  Ni90  1  0.655513  0.058662  0.416752  1
  Ni  Ni91  1  0.500394  0.500699  0.409399  1
  Ni  Ni92  1  0.277740  0.054989  0.366222  1
  Ni  Ni93  1  0.514113  0.779792  0.439206  1
  Ni  Ni94  1  0.293520  0.337060  0.393602  1
  Ni  Ni95  1  0.959401  0.919025  0.428837  1
  Ni  Ni96  1  0.737070  0.474021  0.381521  1
  Ni  Ni97  1  0.987592  0.974423  0.382916  1
  Ni  Ni98  1  0.210886  0.420788  0.427425  1
  Ni  Ni99  1  0.765937  0.779740  0.439221  1
  Ni  Ni100  1  0.543623  0.337076  0.393605  1
  Ni  Ni101  1  1.000611  0.501082  0.409729  1
  Ni  Ni102  1  0.223826  0.947301  0.456585  1
  Ni  Ni103  1  0.014375  0.780040  0.439345  1
  Ni  Ni104  1  0.793484  0.337377  0.393990  1
  Ni  Ni105  1  0.459839  0.919035  0.428837  1
  Ni  Ni106  1  0.237074  0.474013  0.381522  1
  Ni  Ni107  1  0.487063  0.974444  0.382911  1
  Ni  Ni108  1  0.709965  0.420803  0.427426  1
  Ni  Ni109  1  0.265916  0.780004  0.439362  1
  Ni  Ni110  1  0.043959  0.337383  0.393985  1
  Ni  Ni111  1  0.889988  0.779254  0.388312  1
  Ni  Ni112  1  0.112637  0.226156  0.432914  1
  Ni  Ni113  1  0.679959  0.611914  0.370142  1
  Ni  Ni114  1  0.903447  0.058714  0.416750  1
  Ni  Ni115  1  0.570650  0.641044  0.450859  1
  Ni  Ni116  1  0.348127  0.196076  0.403823  1
  Ni  Ni117  1  0.597510  0.694774  0.404671  1
  Ni  Ni118  1  0.822446  0.144817  0.449966  1
  Ni  Ni119  1  0.931818  0.613295  0.370186  1
  Ni  Ni120  1  0.155632  0.058491  0.416826  1
  Ni  Ni121  1  0.834578  0.669068  0.479504  1
  Ni  Ni122  1  0.057350  0.114584  0.524202  1
  Ni  Ni123  1  0.626652  0.503859  0.462183  1
  Ni  Ni124  1  0.848915  0.947985  0.507640  1
  Ni  Ni125  1  0.516227  0.532207  0.542643  1
  Ni  Ni126  1  0.292883  0.085474  0.495570  1
  Ni  Ni127  1  0.543050  0.585905  0.496511  1
  Ni  Ni128  1  0.765960  0.031670  0.541083  1
  Ni  Ni129  1  0.877179  0.503963  0.462165  1
  Ni  Ni130  1  0.099175  0.947852  0.507647  1
  Ni  Ni131  1  0.946828  0.393371  0.502161  1
  Ni  Ni132  1  0.724025  0.947721  0.456400  1
  Ni  Ni133  1  0.960659  0.671265  0.530853  1
  Ni  Ni134  1  0.737399  0.226024  0.485132  1
  Ni  Ni135  1  0.404886  0.809121  0.520174  1
  Ni  Ni136  1  0.182442  0.363776  0.473133  1
  Ni  Ni137  1  0.431155  0.861675  0.473819  1
  Ni  Ni138  1  0.656438  0.311726  0.518772  1
  Ni  Ni139  1  0.210848  0.671229  0.530870  1
  Ni  Ni140  1  0.988804  0.226026  0.485130  1
  Ni  Ni141  1  0.446827  0.393389  0.502038  1
  Ni  Ni142  1  0.667880  0.835435  0.547880  1
  Ni  Ni143  1  0.460547  0.671127  0.530888  1
  Ni  Ni144  1  0.237410  0.226035  0.485184  1
  Ni  Ni145  1  0.904456  0.809122  0.520173  1
  Ni  Ni146  1  0.681610  0.363777  0.473135  1
  Ni  Ni147  1  0.930794  0.861672  0.473819  1
  Ni  Ni148  1  0.155390  0.311739  0.518770  1
  Ni  Ni149  1  0.710827  0.671082  0.530902  1
  Ni  Ni150  1  0.488801  0.226038  0.485181  1
  Ni  Ni151  1  0.334841  0.669074  0.479506  1
  Ni  Ni152  1  0.557528  0.114581  0.524205  1
  Ni  Ni153  1  0.126945  0.503953  0.462161  1
  Ni  Ni154  1  0.348912  0.947860  0.507631  1
  Ni  Ni155  1  0.016371  0.532501  0.542913  1
  Ni  Ni156  1  0.792929  0.085562  0.495542  1
  Ni  Ni157  1  0.042856  0.585501  0.496571  1
  Ni  Ni158  1  0.265876  0.031481  0.541062  1
  Ni  Ni159  1  0.377379  0.503863  0.462183  1
  Ni  Ni160  1  0.599294  0.947978  0.507658  1
  Ni  Ni161  1  0.280164  0.560323  0.571046  1
  Ni  Ni162  1  0.502162  0.004244  0.615828  1
  Ni  Ni163  1  0.071471  0.394393  0.553934  1
  Ni  Ni164  1  0.293586  0.837205  0.599123  1
  Ni  Ni165  1  0.961718  0.422935  0.634625  1
  Ni  Ni166  1  0.737261  0.974256  0.586611  1
  Ni  Ni167  1  0.989153  0.478151  0.588423  1
  Ni  Ni168  1  0.210422  0.920910  0.632363  1
  Ni  Ni169  1  0.323119  0.394052  0.553665  1
  Ni  Ni170  1  0.543596  0.836946  0.599200  1
  Ni  Ni171  1  0.392154  0.283866  0.592412  1
  Ni  Ni172  1  0.167963  0.835606  0.547891  1
  Ni  Ni173  1  0.404566  0.561369  0.623280  1
  Ni  Ni174  1  0.181619  0.115109  0.574930  1
  Ni  Ni175  1  0.850012  0.698342  0.612400  1
  Ni  Ni176  1  0.627188  0.254520  0.564390  1
  Ni  Ni177  1  0.875016  0.749606  0.565629  1
  Ni  Ni178  1  0.098845  0.197736  0.609172  1
  Ni  Ni179  1  0.657198  0.561337  0.623266  1
  Ni  Ni180  1  0.433686  0.115139  0.574952  1
  Ni  Ni181  1  0.892322  0.284261  0.592615  1
  Ni  Ni182  1  0.111495  0.722642  0.641987  1
  Ni  Ni183  1  0.905359  0.561354  0.624052  1
  Ni  Ni184  1  0.681782  0.115160  0.574983  1
  Ni  Ni185  1  0.348592  0.698339  0.612401  1
  Ni  Ni186  1  0.127625  0.254509  0.564383  1
  Ni  Ni187  1  0.374840  0.749603  0.565630  1
  Ni  Ni188  1  0.599219  0.197740  0.609177  1
  Ni  Ni189  1  0.156372  0.561290  0.624039  1
  Ni  Ni190  1  0.933567  0.115185  0.575001  1
  Ni  Ni191  1  0.780486  0.560327  0.571043  1
  Ni  Ni192  1  0.002418  0.004239  0.615825  1
  Ni  Ni193  1  0.571199  0.394086  0.553661  1
  Ni  Ni194  1  0.793629  0.836991  0.599198  1
  Ni  Ni195  1  0.461110  0.421706  0.634036  1
  Ni  Ni196  1  0.237407  0.974543  0.586577  1
  Ni  Ni197  1  0.489216  0.478256  0.588062  1
  Ni  Ni198  1  0.710048  0.920147  0.632523  1
  Ni  Ni199  1  0.823147  0.394371  0.553938  1
  Ni  Ni200  1  0.043851  0.837166  0.599123  1
  Ni  Ni201  1  0.726793  0.447008  0.663399  1
  Ni  Ni202  1  0.951024  0.902419  0.701353  1
  Ni  Ni203  1  0.517055  0.284169  0.642556  1
  Ni  Ni204  1  0.738641  0.729666  0.694401  1
  Ni  Ni205  1  0.372392  0.243118  0.717042  1
  Ni  Ni206  1  0.183545  0.866835  0.677605  1
  Ni  Ni207  1  0.428374  0.356095  0.679303  1
  Ni  Ni208  1  0.675350  0.851069  0.724188  1
  Ni  Ni209  1  0.768168  0.284199  0.642301  1
  Ni  Ni210  1  0.991366  0.732819  0.693616  1
  Ni  Ni211  1  0.836377  0.171876  0.674549  1
  Ni  Ni212  1  0.612204  0.724059  0.641413  1
  Ni  Ni213  1  0.839330  0.429968  0.713479  1
  Ni  Ni214  1  0.624902  0.006519  0.665596  1
  Ni  Ni215  1  0.291909  0.578509  0.703776  1
  Ni  Ni216  1  0.071316  0.142867  0.655525  1
  Ni  Ni217  1  0.321592  0.643236  0.659113  1
  Ni  Ni218  1  0.548725  0.100206  0.702949  1
  Ni  Ni219  1  0.091806  0.430105  0.713388  1
  Ni  Ni220  1  0.881675  0.006587  0.665536  1
  Ni  Ni221  1  0.336039  0.171207  0.674241  1
  Ni  Ni222  1  0.549108  0.597544  0.722531  1
  Ni  Ni223  1  0.343979  0.435105  0.714101  1
  Ni  Ni224  1  0.124727  0.006893  0.665391  1
  Ni  Ni225  1  0.787448  0.578493  0.703786  1
  Ni  Ni226  1  0.572361  0.142853  0.655528  1
  Ni  Ni227  1  0.821826  0.643253  0.659119  1
  Ni  Ni228  1  0.049884  0.100277  0.702947  1
  Ni  Ni229  1  0.592229  0.435160  0.714030  1
  Ni  Ni230  1  0.382187  0.006934  0.665337  1
  Ni  Ni231  1  0.221065  0.447043  0.663382  1
  Ni  Ni232  1  0.451024  0.902368  0.701352  1
  Ni  Ni233  1  0.016666  0.284156  0.642355  1
  Ni  Ni234  1  0.241839  0.732805  0.693655  1
  Ni  Ni235  1  0.875584  0.249157  0.717079  1
  Ni  Ni236  1  0.683005  0.865684  0.677892  1
  Ni  Ni237  1  0.928571  0.356510  0.678749  1
  Ni  Ni238  1  0.177086  0.854357  0.723864  1
  Ni  Ni239  1  0.267821  0.284216  0.642485  1
  Ni  Ni240  1  0.491452  0.729676  0.694331  1
