# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81810550
_cell_length_b   15.24606353
_cell_length_c   54.72266846
_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   5688.38141487
_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  0.752135  0.747691  0.350946  1
  Zr  Zr2  1  0.729440  0.351590  0.303717  1
  Zr  Zr3  1  0.250764  0.546254  0.324100  1
  Zr  Zr4  1  0.251886  0.947630  0.379212  1
  Zr  Zr5  1  0.229440  0.851590  0.303717  1
  Zr  Zr6  1  0.252135  0.247691  0.350946  1
  Zr  Zr7  1  0.751886  0.447630  0.379212  1
  Zr  Zr8  1  0.750764  0.046254  0.324100  1
  Zr  Zr9  1  0.752462  0.546563  0.462862  1
  Zr  Zr10  1  0.751389  0.146805  0.406969  1
  Zr  Zr11  1  0.251650  0.346834  0.435056  1
  Zr  Zr12  1  0.252180  0.746702  0.490925  1
  Zr  Zr13  1  0.251389  0.646805  0.406969  1
  Zr  Zr14  1  0.252462  0.046563  0.462862  1
  Zr  Zr15  1  0.752180  0.246702  0.490925  1
  Zr  Zr16  1  0.751650  0.846834  0.435056  1
  Zr  Zr17  1  0.751663  0.346781  0.574810  1
  Zr  Zr18  1  0.752070  0.946676  0.518918  1
  Zr  Zr19  1  0.252499  0.146911  0.546979  1
  Zr  Zr20  1  0.251149  0.546129  0.602857  1
  Zr  Zr21  1  0.252070  0.446676  0.518918  1
  Zr  Zr22  1  0.251663  0.846781  0.574810  1
  Zr  Zr23  1  0.751149  0.046129  0.602857  1
  Zr  Zr24  1  0.752499  0.646911  0.546979  1
  Zr  Zr25  1  0.751226  0.148799  0.686180  1
  Zr  Zr26  1  0.753112  0.745933  0.630657  1
  Zr  Zr27  1  0.252274  0.946855  0.658852  1
  Zr  Zr28  1  0.221026  0.347426  0.703320  1
  Zr  Zr29  1  0.253112  0.245933  0.630657  1
  Zr  Zr30  1  0.251226  0.648799  0.686180  1
  Zr  Zr31  1  0.721026  0.847426  0.703320  1
  Zr  Zr32  1  0.752274  0.446855  0.658852  1
  Ni  Ni33  1  0.989604  0.900286  0.338147  1
  Ni  Ni34  1  0.992584  0.493561  0.289940  1
  Ni  Ni35  1  0.377430  0.372138  0.386126  1
  Ni  Ni36  1  0.372432  0.974354  0.331972  1
  Ni  Ni37  1  0.618068  0.867892  0.315745  1
  Ni  Ni38  1  0.623708  0.272877  0.372046  1
  Ni  Ni39  1  0.131613  0.422400  0.357755  1
  Ni  Ni40  1  0.120583  0.024026  0.301229  1
  Ni  Ni41  1  0.861541  0.929231  0.288981  1
  Ni  Ni42  1  0.880062  0.321729  0.346299  1
  Ni  Ni43  1  0.487239  0.700313  0.314878  1
  Ni  Ni44  1  0.501515  0.097650  0.364517  1
  Ni  Ni45  1  0.878274  0.773288  0.301910  1
  Ni  Ni46  1  0.873744  0.171533  0.359095  1
  Ni  Ni47  1  0.163823  0.669249  0.289362  1
  Ni  Ni48  1  0.122720  0.072950  0.343480  1
  Ni  Ni49  1  0.629928  0.622623  0.385910  1
  Ni  Ni50  1  0.623866  0.219542  0.330971  1
  Ni  Ni51  1  0.381091  0.521214  0.372467  1
  Ni  Ni52  1  0.378668  0.122718  0.315814  1
  Ni  Ni53  1  0.492584  0.993561  0.289940  1
  Ni  Ni54  1  0.489604  0.400286  0.338147  1
  Ni  Ni55  1  0.872432  0.474354  0.331972  1
  Ni  Ni56  1  0.877430  0.872138  0.386126  1
  Ni  Ni57  1  0.123708  0.772877  0.372046  1
  Ni  Ni58  1  0.118068  0.367892  0.315745  1
  Ni  Ni59  1  0.620583  0.524026  0.301229  1
  Ni  Ni60  1  0.631613  0.922400  0.357755  1
  Ni  Ni61  1  0.380062  0.821729  0.346299  1
  Ni  Ni62  1  0.361541  0.429231  0.288981  1
  Ni  Ni63  1  0.001515  0.597650  0.364517  1
  Ni  Ni64  1  0.987239  0.200313  0.314878  1
  Ni  Ni65  1  0.373744  0.671533  0.359095  1
  Ni  Ni66  1  0.378274  0.273288  0.301910  1
  Ni  Ni67  1  0.622720  0.572950  0.343480  1
  Ni  Ni68  1  0.663823  0.169249  0.289362  1
  Ni  Ni69  1  0.123866  0.719542  0.330971  1
  Ni  Ni70  1  0.129928  0.122623  0.385910  1
  Ni  Ni71  1  0.878668  0.622718  0.315814  1
  Ni  Ni72  1  0.881091  0.021214  0.372467  1
  Ni  Ni73  1  0.002049  0.696799  0.448984  1
  Ni  Ni74  1  0.003560  0.296834  0.392931  1
  Ni  Ni75  1  0.376749  0.171723  0.497938  1
  Ni  Ni76  1  0.376880  0.771766  0.442025  1
  Ni  Ni77  1  0.626660  0.671379  0.427989  1
  Ni  Ni78  1  0.627147  0.071627  0.483940  1
  Ni  Ni79  1  0.127275  0.221621  0.469966  1
  Ni  Ni80  1  0.126885  0.821724  0.414175  1
  Ni  Ni81  1  0.875952  0.722374  0.400268  1
  Ni  Ni82  1  0.876498  0.121644  0.455961  1
  Ni  Ni83  1  0.502376  0.496603  0.420908  1
  Ni  Ni84  1  0.502175  0.896694  0.476989  1
  Ni  Ni85  1  0.877203  0.571895  0.413965  1
  Ni  Ni86  1  0.876870  0.971828  0.469990  1
  Ni  Ni87  1  0.127765  0.471682  0.399913  1
  Ni  Ni88  1  0.127477  0.871770  0.455999  1
  Ni  Ni89  1  0.627175  0.421810  0.497950  1
  Ni  Ni90  1  0.626971  0.021657  0.441992  1
  Ni  Ni91  1  0.376811  0.321650  0.483945  1
  Ni  Ni92  1  0.376697  0.921589  0.427825  1
  Ni  Ni93  1  0.503560  0.796834  0.392931  1
  Ni  Ni94  1  0.502049  0.196799  0.448984  1
  Ni  Ni95  1  0.876880  0.271766  0.442025  1
  Ni  Ni96  1  0.876749  0.671723  0.497938  1
  Ni  Ni97  1  0.127147  0.571627  0.483940  1
  Ni  Ni98  1  0.126660  0.171379  0.427989  1
  Ni  Ni99  1  0.626885  0.321724  0.414175  1
  Ni  Ni100  1  0.627275  0.721621  0.469966  1
  Ni  Ni101  1  0.376498  0.621644  0.455961  1
  Ni  Ni102  1  0.375952  0.222374  0.400268  1
  Ni  Ni103  1  0.002175  0.396694  0.476989  1
  Ni  Ni104  1  0.002376  0.996603  0.420908  1
  Ni  Ni105  1  0.376870  0.471828  0.469990  1
  Ni  Ni106  1  0.377203  0.071895  0.413965  1
  Ni  Ni107  1  0.627477  0.371770  0.455999  1
  Ni  Ni108  1  0.627765  0.971682  0.399913  1
  Ni  Ni109  1  0.126971  0.521657  0.441992  1
  Ni  Ni110  1  0.127175  0.921810  0.497950  1
  Ni  Ni111  1  0.876697  0.421589  0.427825  1
  Ni  Ni112  1  0.876811  0.821650  0.483945  1
  Ni  Ni113  1  0.001974  0.496643  0.560833  1
  Ni  Ni114  1  0.002576  0.096701  0.504925  1
  Ni  Ni115  1  0.376170  0.971177  0.609690  1
  Ni  Ni116  1  0.376513  0.571774  0.553886  1
  Ni  Ni117  1  0.627140  0.471838  0.539848  1
  Ni  Ni118  1  0.626978  0.871667  0.595771  1
  Ni  Ni119  1  0.126986  0.021925  0.581798  1
  Ni  Ni120  1  0.127121  0.621792  0.525915  1
  Ni  Ni121  1  0.876742  0.521709  0.511906  1
  Ni  Ni122  1  0.876753  0.921633  0.567793  1
  Ni  Ni123  1  0.502310  0.296742  0.532858  1
  Ni  Ni124  1  0.502104  0.696784  0.588994  1
  Ni  Ni125  1  0.876751  0.371768  0.525908  1
  Ni  Ni126  1  0.876943  0.771927  0.582006  1
  Ni  Ni127  1  0.127141  0.271606  0.511898  1
  Ni  Ni128  1  0.127240  0.671765  0.567870  1
  Ni  Ni129  1  0.627875  0.221733  0.609905  1
  Ni  Ni130  1  0.627237  0.821661  0.553885  1
  Ni  Ni131  1  0.377301  0.121559  0.595836  1
  Ni  Ni132  1  0.376823  0.721612  0.539860  1
  Ni  Ni133  1  0.502576  0.596701  0.504925  1
  Ni  Ni134  1  0.501974  0.996643  0.560833  1
  Ni  Ni135  1  0.876513  0.071774  0.553886  1
  Ni  Ni136  1  0.876170  0.471177  0.609690  1
  Ni  Ni137  1  0.126978  0.371667  0.595771  1
  Ni  Ni138  1  0.127140  0.971838  0.539848  1
  Ni  Ni139  1  0.627121  0.121792  0.525915  1
  Ni  Ni140  1  0.626986  0.521925  0.581798  1
  Ni  Ni141  1  0.376753  0.421633  0.567793  1
  Ni  Ni142  1  0.376742  0.021709  0.511906  1
  Ni  Ni143  1  0.002104  0.196784  0.588994  1
  Ni  Ni144  1  0.002310  0.796742  0.532858  1
  Ni  Ni145  1  0.376943  0.271927  0.582006  1
  Ni  Ni146  1  0.376751  0.871768  0.525908  1
  Ni  Ni147  1  0.627240  0.171765  0.567870  1
  Ni  Ni148  1  0.627141  0.771606  0.511898  1
  Ni  Ni149  1  0.127237  0.321661  0.553885  1
  Ni  Ni150  1  0.127875  0.721733  0.609905  1
  Ni  Ni151  1  0.876823  0.221612  0.539860  1
  Ni  Ni152  1  0.877301  0.621559  0.595836  1
  Ni  Ni153  1  0.985493  0.291547  0.671273  1
  Ni  Ni154  1  0.004121  0.896736  0.616859  1
  Ni  Ni155  1  0.379361  0.772427  0.720803  1
  Ni  Ni156  1  0.385167  0.373191  0.663137  1
  Ni  Ni157  1  0.630743  0.270146  0.652214  1
  Ni  Ni158  1  0.607598  0.668819  0.707258  1
  Ni  Ni159  1  0.121581  0.826503  0.694136  1
  Ni  Ni160  1  0.123837  0.419667  0.638170  1
  Ni  Ni161  1  0.876565  0.321352  0.623751  1
  Ni  Ni162  1  0.873476  0.720225  0.678584  1
  Ni  Ni163  1  0.502573  0.097633  0.645638  1
  Ni  Ni164  1  0.492485  0.495876  0.694670  1
  Ni  Ni165  1  0.879840  0.172272  0.637448  1
  Ni  Ni166  1  0.879617  0.572757  0.694340  1
  Ni  Ni167  1  0.128725  0.071090  0.623724  1
  Ni  Ni168  1  0.123401  0.478543  0.678360  1
  Ni  Ni169  1  0.675840  0.017603  0.720149  1
  Ni  Ni170  1  0.625314  0.621623  0.665888  1
  Ni  Ni171  1  0.373853  0.924977  0.707910  1
  Ni  Ni172  1  0.373958  0.522991  0.650903  1
  Ni  Ni173  1  0.504121  0.396736  0.616859  1
  Ni  Ni174  1  0.485493  0.791547  0.671273  1
  Ni  Ni175  1  0.885167  0.873191  0.663137  1
  Ni  Ni176  1  0.879361  0.272427  0.720803  1
  Ni  Ni177  1  0.107598  0.168819  0.707258  1
  Ni  Ni178  1  0.130743  0.770146  0.652214  1
  Ni  Ni179  1  0.623837  0.919667  0.638170  1
  Ni  Ni180  1  0.621581  0.326503  0.694136  1
  Ni  Ni181  1  0.373476  0.220225  0.678584  1
  Ni  Ni182  1  0.376565  0.821352  0.623751  1
  Ni  Ni183  1  0.992485  0.995876  0.694670  1
  Ni  Ni184  1  0.002573  0.597633  0.645638  1
  Ni  Ni185  1  0.379617  0.072757  0.694340  1
  Ni  Ni186  1  0.379840  0.672272  0.637448  1
  Ni  Ni187  1  0.623401  0.978543  0.678360  1
  Ni  Ni188  1  0.628725  0.571090  0.623724  1
  Ni  Ni189  1  0.125314  0.121623  0.665888  1
  Ni  Ni190  1  0.175840  0.517603  0.720149  1
  Ni  Ni191  1  0.873958  0.022991  0.650903  1
  Ni  Ni192  1  0.873853  0.424977  0.707910  1
