# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79533804
_cell_length_b   15.20358296
_cell_length_c   54.59848839
_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   'Zr32 Ni160'
_cell_volume   5640.76014125
_cell_formula_units_Z   32
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  0.753635  0.545098  0.324559  1
  Zr  Zr2  1  0.750579  0.947746  0.379291  1
  Zr  Zr3  1  0.256214  0.747663  0.350856  1
  Zr  Zr4  1  0.231330  0.350638  0.304068  1
  Zr  Zr5  1  0.250579  0.447746  0.379291  1
  Zr  Zr6  1  0.253635  0.045098  0.324559  1
  Zr  Zr7  1  0.731330  0.850638  0.304068  1
  Zr  Zr8  1  0.756214  0.247663  0.350856  1
  Zr  Zr9  1  0.751568  0.346734  0.435099  1
  Zr  Zr10  1  0.752272  0.746512  0.490782  1
  Zr  Zr11  1  0.252405  0.546225  0.462763  1
  Zr  Zr12  1  0.250337  0.147493  0.406880  1
  Zr  Zr13  1  0.252272  0.246512  0.490782  1
  Zr  Zr14  1  0.251568  0.846734  0.435099  1
  Zr  Zr15  1  0.750337  0.647493  0.406880  1
  Zr  Zr16  1  0.752405  0.046225  0.462763  1
  Zr  Zr17  1  0.752539  0.146894  0.546955  1
  Zr  Zr18  1  0.749687  0.544766  0.602811  1
  Zr  Zr19  1  0.251926  0.346676  0.574645  1
  Zr  Zr20  1  0.251919  0.946347  0.518921  1
  Zr  Zr21  1  0.249687  0.044766  0.602811  1
  Zr  Zr22  1  0.252539  0.646894  0.546955  1
  Zr  Zr23  1  0.751919  0.446347  0.518921  1
  Zr  Zr24  1  0.751926  0.846676  0.574645  1
  Zr  Zr25  1  0.756472  0.947384  0.658769  1
  Zr  Zr26  1  0.723863  0.353854  0.702745  1
  Zr  Zr27  1  0.251594  0.151949  0.685781  1
  Zr  Zr28  1  0.252763  0.745600  0.630520  1
  Zr  Zr29  1  0.223863  0.853854  0.702745  1
  Zr  Zr30  1  0.256472  0.447384  0.658769  1
  Zr  Zr31  1  0.752763  0.245600  0.630520  1
  Zr  Zr32  1  0.751594  0.651949  0.685781  1
  Ni  Ni33  1  0.502785  0.597025  0.364815  1
  Ni  Ni34  1  0.494314  0.198350  0.314881  1
  Ni  Ni35  1  0.873177  0.672178  0.359060  1
  Ni  Ni36  1  0.880160  0.271985  0.301195  1
  Ni  Ni37  1  0.664768  0.665273  0.288952  1
  Ni  Ni38  1  0.623140  0.071375  0.343488  1
  Ni  Ni39  1  0.627136  0.717630  0.330645  1
  Ni  Ni40  1  0.631981  0.123546  0.385757  1
  Ni  Ni41  1  0.880462  0.521517  0.372958  1
  Ni  Ni42  1  0.876895  0.122025  0.315577  1
  Ni  Ni43  1  0.995716  0.994108  0.290205  1
  Ni  Ni44  1  0.991578  0.400509  0.338881  1
  Ni  Ni45  1  0.371133  0.474124  0.331957  1
  Ni  Ni46  1  0.375718  0.872748  0.386350  1
  Ni  Ni47  1  0.124444  0.867232  0.315733  1
  Ni  Ni48  1  0.122002  0.273778  0.371343  1
  Ni  Ni49  1  0.119497  0.524451  0.300947  1
  Ni  Ni50  1  0.131537  0.922789  0.357818  1
  Ni  Ni51  1  0.361968  0.928095  0.288199  1
  Ni  Ni52  1  0.381868  0.320944  0.346316  1
  Ni  Ni53  1  0.994314  0.698350  0.314881  1
  Ni  Ni54  1  0.002785  0.097025  0.364815  1
  Ni  Ni55  1  0.380160  0.771985  0.301195  1
  Ni  Ni56  1  0.373177  0.172178  0.359060  1
  Ni  Ni57  1  0.123140  0.571375  0.343488  1
  Ni  Ni58  1  0.164768  0.165273  0.288952  1
  Ni  Ni59  1  0.131981  0.623546  0.385757  1
  Ni  Ni60  1  0.127136  0.217630  0.330645  1
  Ni  Ni61  1  0.376895  0.622025  0.315577  1
  Ni  Ni62  1  0.380462  0.021517  0.372958  1
  Ni  Ni63  1  0.491578  0.900509  0.338881  1
  Ni  Ni64  1  0.495716  0.494108  0.290205  1
  Ni  Ni65  1  0.875718  0.372748  0.386350  1
  Ni  Ni66  1  0.871133  0.974124  0.331957  1
  Ni  Ni67  1  0.622002  0.773778  0.371343  1
  Ni  Ni68  1  0.624444  0.367232  0.315733  1
  Ni  Ni69  1  0.631537  0.422789  0.357818  1
  Ni  Ni70  1  0.619497  0.024451  0.300947  1
  Ni  Ni71  1  0.881868  0.820944  0.346316  1
  Ni  Ni72  1  0.861968  0.428095  0.288199  1
  Ni  Ni73  1  0.502171  0.396581  0.476971  1
  Ni  Ni74  1  0.501810  0.996676  0.420789  1
  Ni  Ni75  1  0.876121  0.472067  0.469952  1
  Ni  Ni76  1  0.876147  0.072157  0.413886  1
  Ni  Ni77  1  0.627017  0.471861  0.399756  1
  Ni  Ni78  1  0.627752  0.871509  0.455826  1
  Ni  Ni79  1  0.627051  0.521693  0.442031  1
  Ni  Ni80  1  0.627617  0.921759  0.497966  1
  Ni  Ni81  1  0.876036  0.321222  0.483945  1
  Ni  Ni82  1  0.875838  0.921187  0.427782  1
  Ni  Ni83  1  0.005963  0.797044  0.392970  1
  Ni  Ni84  1  0.001642  0.196518  0.448934  1
  Ni  Ni85  1  0.376676  0.272118  0.441967  1
  Ni  Ni86  1  0.376291  0.671817  0.497839  1
  Ni  Ni87  1  0.127166  0.671181  0.427806  1
  Ni  Ni88  1  0.127890  0.071343  0.483814  1
  Ni  Ni89  1  0.128310  0.321670  0.414089  1
  Ni  Ni90  1  0.127893  0.721365  0.469993  1
  Ni  Ni91  1  0.376303  0.722220  0.400280  1
  Ni  Ni92  1  0.375648  0.121189  0.455808  1
  Ni  Ni93  1  0.001810  0.496676  0.420789  1
  Ni  Ni94  1  0.002171  0.896581  0.476971  1
  Ni  Ni95  1  0.376147  0.572157  0.413886  1
  Ni  Ni96  1  0.376121  0.972067  0.469952  1
  Ni  Ni97  1  0.127752  0.371509  0.455826  1
  Ni  Ni98  1  0.127017  0.971861  0.399756  1
  Ni  Ni99  1  0.127617  0.421759  0.497966  1
  Ni  Ni100  1  0.127051  0.021693  0.442031  1
  Ni  Ni101  1  0.375838  0.421187  0.427782  1
  Ni  Ni102  1  0.376036  0.821222  0.483945  1
  Ni  Ni103  1  0.501642  0.696518  0.448934  1
  Ni  Ni104  1  0.505963  0.297044  0.392970  1
  Ni  Ni105  1  0.876291  0.171817  0.497839  1
  Ni  Ni106  1  0.876676  0.772118  0.441967  1
  Ni  Ni107  1  0.627890  0.571343  0.483814  1
  Ni  Ni108  1  0.627166  0.171181  0.427806  1
  Ni  Ni109  1  0.627893  0.221365  0.469993  1
  Ni  Ni110  1  0.628310  0.821670  0.414089  1
  Ni  Ni111  1  0.875648  0.621189  0.455808  1
  Ni  Ni112  1  0.876303  0.222220  0.400280  1
  Ni  Ni113  1  0.501196  0.196207  0.589019  1
  Ni  Ni114  1  0.502540  0.796474  0.532759  1
  Ni  Ni115  1  0.876554  0.272043  0.581849  1
  Ni  Ni116  1  0.875925  0.871744  0.525789  1
  Ni  Ni117  1  0.627637  0.271202  0.511783  1
  Ni  Ni118  1  0.627666  0.671316  0.567742  1
  Ni  Ni119  1  0.627107  0.321599  0.554008  1
  Ni  Ni120  1  0.627120  0.721320  0.609922  1
  Ni  Ni121  1  0.876277  0.120957  0.595846  1
  Ni  Ni122  1  0.876049  0.720969  0.539773  1
  Ni  Ni123  1  0.002379  0.596443  0.504869  1
  Ni  Ni124  1  1.001443  0.996563  0.560712  1
  Ni  Ni125  1  0.375726  0.071798  0.553878  1
  Ni  Ni126  1  0.376425  0.471099  0.609732  1
  Ni  Ni127  1  0.127711  0.471743  0.539680  1
  Ni  Ni128  1  0.129171  0.871228  0.595931  1
  Ni  Ni129  1  0.127734  0.121662  0.525930  1
  Ni  Ni130  1  0.127718  0.521661  0.581839  1
  Ni  Ni131  1  0.376273  0.521197  0.511881  1
  Ni  Ni132  1  0.376347  0.920928  0.567707  1
  Ni  Ni133  1  0.002540  0.296474  0.532759  1
  Ni  Ni134  1  1.001196  0.696207  0.589019  1
  Ni  Ni135  1  0.375925  0.371744  0.525789  1
  Ni  Ni136  1  0.376554  0.772043  0.581849  1
  Ni  Ni137  1  0.127666  0.171316  0.567742  1
  Ni  Ni138  1  0.127637  0.771202  0.511783  1
  Ni  Ni139  1  0.127120  0.221320  0.609922  1
  Ni  Ni140  1  0.127107  0.821599  0.554008  1
  Ni  Ni141  1  0.376049  0.220969  0.539773  1
  Ni  Ni142  1  0.376277  0.620957  0.595846  1
  Ni  Ni143  1  0.501443  0.496563  0.560712  1
  Ni  Ni144  1  0.502379  0.096443  0.504869  1
  Ni  Ni145  1  0.876425  0.971099  0.609732  1
  Ni  Ni146  1  0.875726  0.571798  0.553878  1
  Ni  Ni147  1  0.629171  0.371228  0.595931  1
  Ni  Ni148  1  0.627711  0.971743  0.539680  1
  Ni  Ni149  1  0.627718  0.021661  0.581839  1
  Ni  Ni150  1  0.627734  0.621662  0.525930  1
  Ni  Ni151  1  0.876347  0.420928  0.567707  1
  Ni  Ni152  1  0.876273  0.021197  0.511881  1
  Ni  Ni153  1  0.498589  0.999545  0.694483  1
  Ni  Ni154  1  0.502182  0.599287  0.645091  1
  Ni  Ni155  1  0.878165  0.075927  0.694815  1
  Ni  Ni156  1  0.878407  0.671800  0.636995  1
  Ni  Ni157  1  0.629271  0.070009  0.623629  1
  Ni  Ni158  1  0.624454  0.483480  0.678334  1
  Ni  Ni159  1  0.627177  0.122698  0.665653  1
  Ni  Ni160  1  0.677720  0.522224  0.720557  1
  Ni  Ni161  1  0.873986  0.928993  0.708591  1
  Ni  Ni162  1  0.872600  0.522789  0.650871  1
  Ni  Ni163  1  0.006270  0.396534  0.616469  1
  Ni  Ni164  1  0.987935  0.790657  0.670643  1
  Ni  Ni165  1  0.388660  0.875001  0.662794  1
  Ni  Ni166  1  0.382965  0.276857  0.721399  1
  Ni  Ni167  1  0.130080  0.270127  0.652025  1
  Ni  Ni168  1  0.103757  0.671051  0.707019  1
  Ni  Ni169  1  0.121792  0.918435  0.638871  1
  Ni  Ni170  1  0.128596  0.328515  0.693982  1
  Ni  Ni171  1  0.374883  0.320452  0.623467  1
  Ni  Ni172  1  0.369912  0.722446  0.678650  1
  Ni  Ni173  1  0.002182  0.099287  0.645091  1
  Ni  Ni174  1  0.998589  0.499545  0.694483  1
  Ni  Ni175  1  0.378407  0.171800  0.636995  1
  Ni  Ni176  1  0.378165  0.575927  0.694815  1
  Ni  Ni177  1  0.124454  0.983480  0.678334  1
  Ni  Ni178  1  0.129271  0.570009  0.623629  1
  Ni  Ni179  1  0.177720  0.022224  0.720557  1
  Ni  Ni180  1  0.127177  0.622698  0.665653  1
  Ni  Ni181  1  0.372600  0.022789  0.650871  1
  Ni  Ni182  1  0.373986  0.428993  0.708591  1
  Ni  Ni183  1  0.487935  0.290657  0.670643  1
  Ni  Ni184  1  0.506270  0.896534  0.616469  1
  Ni  Ni185  1  0.882965  0.776857  0.721399  1
  Ni  Ni186  1  0.888660  0.375001  0.662794  1
  Ni  Ni187  1  0.603757  0.171051  0.707019  1
  Ni  Ni188  1  0.630080  0.770127  0.652025  1
  Ni  Ni189  1  0.628596  0.828515  0.693982  1
  Ni  Ni190  1  0.621792  0.418435  0.638871  1
  Ni  Ni191  1  0.869912  0.222446  0.678650  1
  Ni  Ni192  1  0.874883  0.820452  0.623467  1
