# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66283181
_cell_length_b   15.19411624
_cell_length_c   49.86320159
_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   6945.14439507
_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  0.623598  0.767965  0.299695  1
  Zr  Zr2  1  0.851132  0.223049  0.332887  1
  Zr  Zr3  1  0.962064  0.944872  0.354834  1
  Zr  Zr4  1  0.740386  0.501280  0.312960  1
  Zr  Zr5  1  0.462064  0.944872  0.354834  1
  Zr  Zr6  1  0.240386  0.501280  0.312960  1
  Zr  Zr7  1  0.123598  0.767965  0.299695  1
  Zr  Zr8  1  0.351132  0.223049  0.332887  1
  Zr  Zr9  1  0.072916  0.666480  0.379446  1
  Zr  Zr10  1  0.295423  0.111437  0.423847  1
  Zr  Zr11  1  0.406893  0.834398  0.447320  1
  Zr  Zr12  1  0.183979  0.388580  0.401717  1
  Zr  Zr13  1  0.906893  0.834398  0.447320  1
  Zr  Zr14  1  0.683979  0.388580  0.401717  1
  Zr  Zr15  1  0.572916  0.666480  0.379446  1
  Zr  Zr16  1  0.795423  0.111437  0.423847  1
  Zr  Zr17  1  0.517822  0.556238  0.469945  1
  Zr  Zr18  1  0.740300  1.001146  0.516003  1
  Zr  Zr19  1  0.851659  0.723858  0.538451  1
  Zr  Zr20  1  0.628523  0.277608  0.492952  1
  Zr  Zr21  1  0.351659  0.723858  0.538451  1
  Zr  Zr22  1  0.128523  0.277608  0.492952  1
  Zr  Zr23  1  0.017822  0.556238  0.469945  1
  Zr  Zr24  1  0.240300  1.001146  0.516003  1
  Zr  Zr25  1  0.961803  0.444212  0.561661  1
  Zr  Zr26  1  0.186013  0.892379  0.607240  1
  Zr  Zr27  1  0.296052  0.612536  0.627844  1
  Zr  Zr28  1  0.073272  0.167075  0.585595  1
  Zr  Zr29  1  0.796052  0.612536  0.627844  1
  Zr  Zr30  1  0.573272  0.167075  0.585595  1
  Zr  Zr31  1  0.461803  0.444212  0.561661  1
  Zr  Zr32  1  0.686013  0.892379  0.607240  1
  Zr  Zr33  1  0.406245  0.333459  0.653088  1
  Zr  Zr34  1  0.627864  0.774396  0.694993  1
  Zr  Zr35  1  0.754877  0.533501  0.710485  1
  Zr  Zr36  1  0.516194  0.052721  0.678494  1
  Zr  Zr37  1  0.254877  0.533501  0.710485  1
  Zr  Zr38  1  0.016194  0.052721  0.678494  1
  Zr  Zr39  1  0.906245  0.333459  0.653088  1
  Zr  Zr40  1  0.127864  0.774396  0.694993  1
  Ni  Ni41  1  0.322923  0.666511  0.287255  1
  Ni  Ni42  1  0.548236  0.117034  0.320664  1
  Ni  Ni43  1  0.335414  0.942122  0.303640  1
  Ni  Ni44  1  0.559121  0.387748  0.351237  1
  Ni  Ni45  1  0.392043  0.805184  0.316648  1
  Ni  Ni46  1  0.613675  0.248086  0.360503  1
  Ni  Ni47  1  0.253087  0.026961  0.337510  1
  Ni  Ni48  1  0.029452  0.579374  0.291969  1
  Ni  Ni49  1  0.195346  0.659013  0.330659  1
  Ni  Ni50  1  0.977420  0.227861  0.282309  1
  Ni  Ni51  1  0.658746  0.838002  0.346970  1
  Ni  Ni52  1  0.431288  0.383299  0.304624  1
  Ni  Ni53  1  0.442972  0.659101  0.330634  1
  Ni  Ni54  1  0.230972  0.228850  0.282187  1
  Ni  Ni55  1  0.283083  0.088372  0.292960  1
  Ni  Ni56  1  0.501150  0.523017  0.338484  1
  Ni  Ni57  1  0.366179  0.753298  0.361335  1
  Ni  Ni58  1  0.145480  0.311706  0.314915  1
  Ni  Ni59  1  0.085590  0.942077  0.303702  1
  Ni  Ni60  1  0.307870  0.387773  0.351251  1
  Ni  Ni61  1  0.158746  0.838002  0.346970  1
  Ni  Ni62  1  0.931288  0.383299  0.304624  1
  Ni  Ni63  1  0.942972  0.659101  0.330634  1
  Ni  Ni64  1  0.730972  0.228850  0.282187  1
  Ni  Ni65  1  0.783083  0.088372  0.292960  1
  Ni  Ni66  1  1.001150  0.523017  0.338484  1
  Ni  Ni67  1  0.866179  0.753298  0.361335  1
  Ni  Ni68  1  0.645480  0.311706  0.314915  1
  Ni  Ni69  1  0.585590  0.942077  0.303702  1
  Ni  Ni70  1  0.807870  0.387773  0.351251  1
  Ni  Ni71  1  0.822923  0.666511  0.287255  1
  Ni  Ni72  1  0.048236  0.117034  0.320664  1
  Ni  Ni73  1  0.835414  0.942122  0.303640  1
  Ni  Ni74  1  0.059121  0.387748  0.351237  1
  Ni  Ni75  1  0.892043  0.805184  0.316648  1
  Ni  Ni76  1  0.113675  0.248086  0.360503  1
  Ni  Ni77  1  0.753087  0.026961  0.337510  1
  Ni  Ni78  1  0.529452  0.579374  0.291969  1
  Ni  Ni79  1  0.695346  0.659013  0.330659  1
  Ni  Ni80  1  0.477420  0.227861  0.282309  1
  Ni  Ni81  1  0.767157  0.554744  0.368335  1
  Ni  Ni82  1  0.989275  0.999109  0.411973  1
  Ni  Ni83  1  0.781745  0.834436  0.395773  1
  Ni  Ni84  1  0.003370  0.277576  0.441434  1
  Ni  Ni85  1  0.837164  0.695058  0.407300  1
  Ni  Ni86  1  0.059107  0.138905  0.452810  1
  Ni  Ni87  1  0.698538  0.917923  0.429776  1
  Ni  Ni88  1  0.475806  0.472398  0.384785  1
  Ni  Ni89  1  0.642968  0.555792  0.418900  1
  Ni  Ni90  1  0.420061  0.110509  0.372282  1
  Ni  Ni91  1  0.101534  0.723601  0.435698  1
  Ni  Ni92  1  0.878557  0.277667  0.390058  1
  Ni  Ni93  1  0.892122  0.555811  0.418895  1
  Ni  Ni94  1  0.669601  0.110462  0.372275  1
  Ni  Ni95  1  0.725651  0.972036  0.383690  1
  Ni  Ni96  1  0.947964  0.416659  0.430470  1
  Ni  Ni97  1  0.809631  0.640063  0.452925  1
  Ni  Ni98  1  0.586669  0.194105  0.406779  1
  Ni  Ni99  1  0.531942  0.834431  0.395763  1
  Ni  Ni100  1  0.753500  0.277569  0.441444  1
  Ni  Ni101  1  0.601534  0.723601  0.435698  1
  Ni  Ni102  1  0.378557  0.277667  0.390058  1
  Ni  Ni103  1  0.392122  0.555811  0.418895  1
  Ni  Ni104  1  0.169601  0.110462  0.372275  1
  Ni  Ni105  1  0.225651  0.972036  0.383690  1
  Ni  Ni106  1  0.447964  0.416659  0.430470  1
  Ni  Ni107  1  0.309631  0.640063  0.452925  1
  Ni  Ni108  1  0.086669  0.194105  0.406779  1
  Ni  Ni109  1  0.031942  0.834431  0.395763  1
  Ni  Ni110  1  0.253500  0.277569  0.441444  1
  Ni  Ni111  1  0.267157  0.554744  0.368335  1
  Ni  Ni112  1  0.489275  0.999109  0.411973  1
  Ni  Ni113  1  0.281745  0.834436  0.395773  1
  Ni  Ni114  1  0.503370  0.277576  0.441434  1
  Ni  Ni115  1  0.337164  0.695058  0.407300  1
  Ni  Ni116  1  0.559107  0.138905  0.452810  1
  Ni  Ni117  1  0.198538  0.917923  0.429776  1
  Ni  Ni118  1  0.975806  0.472398  0.384785  1
  Ni  Ni119  1  0.142968  0.555792  0.418900  1
  Ni  Ni120  1  0.920061  0.110509  0.372282  1
  Ni  Ni121  1  0.212003  0.444507  0.458748  1
  Ni  Ni122  1  0.435000  0.890481  0.504356  1
  Ni  Ni123  1  0.226058  0.723162  0.487369  1
  Ni  Ni124  1  0.448674  0.167505  0.533327  1
  Ni  Ni125  1  0.281426  0.583523  0.498396  1
  Ni  Ni126  1  0.504256  0.029160  0.544941  1
  Ni  Ni127  1  0.143770  0.808312  0.521333  1
  Ni  Ni128  1  0.919588  0.359873  0.475973  1
  Ni  Ni129  1  0.086808  0.444604  0.509973  1
  Ni  Ni130  1  0.864993  1.001054  0.464374  1
  Ni  Ni131  1  0.545591  0.611673  0.526898  1
  Ni  Ni132  1  0.323149  0.166774  0.481473  1
  Ni  Ni133  1  0.337086  0.444598  0.509959  1
  Ni  Ni134  1  0.115335  1.001046  0.464372  1
  Ni  Ni135  1  0.170556  0.861777  0.475541  1
  Ni  Ni136  1  0.392576  0.305858  0.522028  1
  Ni  Ni137  1  0.253620  0.527922  0.543790  1
  Ni  Ni138  1  0.031414  0.083565  0.498843  1
  Ni  Ni139  1  0.976399  0.723166  0.487371  1
  Ni  Ni140  1  0.198159  0.167489  0.533335  1
  Ni  Ni141  1  0.045591  0.611673  0.526898  1
  Ni  Ni142  1  0.823149  0.166774  0.481473  1
  Ni  Ni143  1  0.837086  0.444598  0.509959  1
  Ni  Ni144  1  0.615335  1.001046  0.464372  1
  Ni  Ni145  1  0.670556  0.861777  0.475541  1
  Ni  Ni146  1  0.892576  0.305858  0.522028  1
  Ni  Ni147  1  0.753620  0.527922  0.543790  1
  Ni  Ni148  1  0.531414  0.083565  0.498843  1
  Ni  Ni149  1  0.476399  0.723166  0.487371  1
  Ni  Ni150  1  0.698159  0.167489  0.533335  1
  Ni  Ni151  1  0.712003  0.444507  0.458748  1
  Ni  Ni152  1  0.935000  0.890481  0.504356  1
  Ni  Ni153  1  0.726058  0.723162  0.487369  1
  Ni  Ni154  1  0.948674  0.167505  0.533327  1
  Ni  Ni155  1  0.781426  0.583523  0.498396  1
  Ni  Ni156  1  0.004256  0.029160  0.544941  1
  Ni  Ni157  1  0.643770  0.808312  0.521333  1
  Ni  Ni158  1  0.419588  0.359873  0.475973  1
  Ni  Ni159  1  0.586808  0.444604  0.509973  1
  Ni  Ni160  1  0.364993  1.001054  0.464374  1
  Ni  Ni161  1  0.656026  0.332552  0.550253  1
  Ni  Ni162  1  0.880331  0.780937  0.595164  1
  Ni  Ni163  1  0.670193  0.611639  0.577570  1
  Ni  Ni164  1  0.893412  0.057480  0.626386  1
  Ni  Ni165  1  0.725330  0.471382  0.589107  1
  Ni  Ni166  1  0.949709  0.919749  0.636846  1
  Ni  Ni167  1  0.587411  0.695347  0.611594  1
  Ni  Ni168  1  0.363577  0.247892  0.567894  1
  Ni  Ni169  1  0.530870  0.333206  0.601627  1
  Ni  Ni170  1  0.310383  0.890817  0.556211  1
  Ni  Ni171  1  0.990051  0.500639  0.618717  1
  Ni  Ni172  1  0.768426  0.057261  0.573419  1
  Ni  Ni173  1  0.781600  0.333233  0.601630  1
  Ni  Ni174  1  0.559847  0.890837  0.556210  1
  Ni  Ni175  1  0.615424  0.751429  0.566627  1
  Ni  Ni176  1  0.836958  0.194589  0.614308  1
  Ni  Ni177  1  0.698271  0.417719  0.634906  1
  Ni  Ni178  1  0.477098  0.974863  0.590930  1
  Ni  Ni179  1  0.420759  0.611669  0.577589  1
  Ni  Ni180  1  0.643535  0.057461  0.626377  1
  Ni  Ni181  1  0.490051  0.500639  0.618717  1
  Ni  Ni182  1  0.268426  0.057261  0.573419  1
  Ni  Ni183  1  0.281600  0.333233  0.601630  1
  Ni  Ni184  1  0.059847  0.890837  0.556210  1
  Ni  Ni185  1  0.115424  0.751429  0.566627  1
  Ni  Ni186  1  0.336958  0.194589  0.614308  1
  Ni  Ni187  1  0.198271  0.417719  0.634906  1
  Ni  Ni188  1  0.977098  0.974863  0.590930  1
  Ni  Ni189  1  0.920759  0.611669  0.577589  1
  Ni  Ni190  1  0.143535  0.057461  0.626377  1
  Ni  Ni191  1  0.156026  0.332552  0.550253  1
  Ni  Ni192  1  0.380331  0.780937  0.595164  1
  Ni  Ni193  1  0.170193  0.611639  0.577570  1
  Ni  Ni194  1  0.393412  0.057480  0.626386  1
  Ni  Ni195  1  0.225330  0.471382  0.589107  1
  Ni  Ni196  1  0.449709  0.919749  0.636846  1
  Ni  Ni197  1  0.087411  0.695347  0.611594  1
  Ni  Ni198  1  0.863577  0.247892  0.567894  1
  Ni  Ni199  1  0.030870  0.333206  0.601627  1
  Ni  Ni200  1  0.810383  0.890817  0.556211  1
  Ni  Ni201  1  0.099770  0.220174  0.644415  1
  Ni  Ni202  1  0.325318  0.669292  0.677578  1
  Ni  Ni203  1  0.113676  0.503498  0.667807  1
  Ni  Ni204  1  0.327744  0.927109  0.715501  1
  Ni  Ni205  1  0.171849  0.364835  0.680164  1
  Ni  Ni206  1  0.365160  0.749081  0.719459  1
  Ni  Ni207  1  0.035284  0.595268  0.705113  1
  Ni  Ni208  1  0.810240  0.141306  0.661253  1
  Ni  Ni209  1  0.979485  0.229376  0.695778  1
  Ni  Ni210  1  0.755063  0.780073  0.644984  1
  Ni  Ni211  1  0.441559  0.405626  0.704403  1
  Ni  Ni212  1  0.212085  0.944157  0.666280  1
  Ni  Ni213  1  0.228867  0.229340  0.695804  1
  Ni  Ni214  1  0.005103  0.780077  0.645017  1
  Ni  Ni215  1  0.060345  0.640181  0.657737  1
  Ni  Ni216  1  0.276719  0.073763  0.704970  1
  Ni  Ni217  1  0.165743  0.353599  0.726248  1
  Ni  Ni218  1  0.917071  0.853836  0.681054  1
  Ni  Ni219  1  0.868474  0.503708  0.667760  1
  Ni  Ni220  1  0.079644  0.927063  0.715462  1
  Ni  Ni221  1  0.941559  0.405626  0.704403  1
  Ni  Ni222  1  0.712085  0.944157  0.666280  1
  Ni  Ni223  1  0.728867  0.229340  0.695804  1
  Ni  Ni224  1  0.505103  0.780077  0.645017  1
  Ni  Ni225  1  0.560345  0.640181  0.657737  1
  Ni  Ni226  1  0.776719  0.073763  0.704970  1
  Ni  Ni227  1  0.665743  0.353599  0.726248  1
  Ni  Ni228  1  0.417071  0.853836  0.681054  1
  Ni  Ni229  1  0.368474  0.503708  0.667760  1
  Ni  Ni230  1  0.579644  0.927063  0.715462  1
  Ni  Ni231  1  0.599770  0.220174  0.644415  1
  Ni  Ni232  1  0.825318  0.669292  0.677578  1
  Ni  Ni233  1  0.613676  0.503498  0.667807  1
  Ni  Ni234  1  0.827744  0.927109  0.715501  1
  Ni  Ni235  1  0.671849  0.364835  0.680164  1
  Ni  Ni236  1  0.865160  0.749081  0.719459  1
  Ni  Ni237  1  0.535284  0.595268  0.705113  1
  Ni  Ni238  1  0.310240  0.141306  0.661253  1
  Ni  Ni239  1  0.479485  0.229376  0.695778  1
  Ni  Ni240  1  0.255063  0.780073  0.644984  1
