# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.25529914
_cell_length_b   8.82222908
_cell_length_c   52.87724293
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.59245345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7082.65015366
_cell_formula_units_Z   8
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  0.711466  0.014523  0.293054  1
  Zr  Zr2  1  0.252939  0.153965  0.348261  1
  Zr  Zr3  1  0.256993  0.616308  0.326521  1
  Zr  Zr4  1  0.805277  0.768166  0.384874  1
  Zr  Zr5  1  0.437223  0.336425  0.292192  1
  Zr  Zr6  1  0.967866  0.485339  0.342571  1
  Zr  Zr7  1  0.542865  0.290550  0.336968  1
  Zr  Zr8  1  0.087658  0.434191  0.388190  1
  Zr  Zr9  1  0.579678  0.063294  0.390559  1
  Zr  Zr10  1  0.030603  0.909373  0.335399  1
  Zr  Zr11  1  0.478658  0.872975  0.340265  1
  Zr  Zr12  1  0.927130  0.700012  0.287625  1
  Zr  Zr13  1  0.256931  0.050638  0.287822  1
  Zr  Zr14  1  0.806058  0.200752  0.339658  1
  Zr  Zr15  1  0.698337  0.575104  0.337441  1
  Zr  Zr16  1  0.251580  0.721438  0.390485  1
  Zr  Zr17  1  0.803627  0.299353  0.403064  1
  Zr  Zr18  1  0.352099  0.443966  0.458002  1
  Zr  Zr19  1  0.354957  0.913460  0.440055  1
  Zr  Zr20  1  0.906005  0.054228  0.495557  1
  Zr  Zr21  1  0.518345  0.639047  0.398792  1
  Zr  Zr22  1  0.069400  0.779206  0.454277  1
  Zr  Zr23  1  0.637015  0.576149  0.443211  1
  Zr  Zr24  1  0.187563  0.720094  0.498930  1
  Zr  Zr25  1  0.679753  0.350071  0.501642  1
  Zr  Zr26  1  0.130310  0.206492  0.445773  1
  Zr  Zr27  1  0.576855  0.149364  0.452191  1
  Zr  Zr28  1  0.026747  0.003561  0.396794  1
  Zr  Zr29  1  0.354965  0.352645  0.395069  1
  Zr  Zr30  1  0.906514  0.487501  0.451502  1
  Zr  Zr31  1  0.799608  0.867169  0.447167  1
  Zr  Zr32  1  0.350471  0.009615  0.502752  1
  Zr  Zr33  1  0.901217  0.589089  0.513475  1
  Zr  Zr34  1  0.452255  0.730383  0.569044  1
  Zr  Zr35  1  0.455283  0.199616  0.551085  1
  Zr  Zr36  1  0.003562  0.343923  0.605994  1
  Zr  Zr37  1  0.619719  0.923333  0.510124  1
  Zr  Zr38  1  0.170262  0.067359  0.565819  1
  Zr  Zr39  1  0.737824  0.864114  0.554809  1
  Zr  Zr40  1  0.288834  0.004657  0.610223  1
  Zr  Zr41  1  0.780644  0.639486  0.612106  1
  Zr  Zr42  1  0.230373  0.494130  0.556881  1
  Zr  Zr43  1  0.676877  0.437069  0.563281  1
  Zr  Zr44  1  0.127537  0.293328  0.507405  1
  Zr  Zr45  1  0.456793  0.633869  0.506349  1
  Zr  Zr46  1  0.007696  0.776237  0.561832  1
  Zr  Zr47  1  0.900738  0.155904  0.557509  1
  Zr  Zr48  1  0.452214  0.291361  0.614017  1
  Zr  Zr49  1  0.002090  0.875262  0.624112  1
  Zr  Zr50  1  0.549012  0.028598  0.681947  1
  Zr  Zr51  1  0.554550  0.490977  0.660903  1
  Zr  Zr52  1  0.095417  0.628600  0.715954  1
  Zr  Zr53  1  0.719630  0.208947  0.620982  1
  Zr  Zr54  1  0.264359  0.351828  0.672196  1
  Zr  Zr55  1  0.838751  0.156694  0.666699  1
  Zr  Zr56  1  0.372084  0.308081  0.717063  1
  Zr  Zr57  1  0.879649  0.942200  0.721221  1
  Zr  Zr58  1  0.328171  0.771004  0.668686  1
  Zr  Zr59  1  0.776484  0.734777  0.673534  1
  Zr  Zr60  1  0.227479  0.579963  0.618498  1
  Zr  Zr61  1  0.555771  0.922352  0.618637  1
  Zr  Zr62  1  0.108846  0.068154  0.671631  1
  Zr  Zr63  1  1.000832  0.442450  0.669368  1
  Zr  Zr64  1  0.551036  0.599210  0.720653  1
  Ni  Ni65  1  0.202461  0.760057  0.282682  1
  Ni  Ni66  1  0.754147  0.887845  0.337210  1
  Ni  Ni67  1  0.635913  0.055118  0.339974  1
  Ni  Ni68  1  0.075073  0.914012  0.287472  1
  Ni  Ni69  1  0.425224  0.870514  0.390008  1
  Ni  Ni70  1  0.873138  0.720045  0.334703  1
  Ni  Ni71  1  0.676436  0.291238  0.306859  1
  Ni  Ni72  1  0.233017  0.433074  0.363686  1
  Ni  Ni73  1  0.270670  0.333547  0.309720  1
  Ni  Ni74  1  0.822284  0.488543  0.366021  1
  Ni  Ni75  1  0.537948  0.066951  0.301441  1
  Ni  Ni76  1  0.086191  0.185953  0.358142  1
  Ni  Ni77  1  0.428255  0.602187  0.315219  1
  Ni  Ni78  1  0.973172  0.733768  0.373530  1
  Ni  Ni79  1  0.386695  0.109807  0.320412  1
  Ni  Ni80  1  0.938230  0.238078  0.374313  1
  Ni  Ni81  1  0.427991  0.121420  0.365834  1
  Ni  Ni82  1  0.881597  0.961899  0.308000  1
  Ni  Ni83  1  0.626727  0.807883  0.365994  1
  Ni  Ni84  1  0.079092  0.657662  0.310213  1
  Ni  Ni85  1  0.531977  0.576435  0.348448  1
  Ni  Ni86  1  0.985271  0.418025  0.296152  1
  Ni  Ni87  1  0.523542  0.357723  0.382876  1
  Ni  Ni88  1  0.973763  0.193725  0.326149  1
  Ni  Ni89  1  0.383043  0.627572  0.364169  1
  Ni  Ni90  1  0.826909  0.472274  0.311680  1
  Ni  Ni91  1  0.677590  0.299328  0.367032  1
  Ni  Ni92  1  0.123844  0.151034  0.311613  1
  Ni  Ni93  1  0.388237  0.380581  0.343669  1
  Ni  Ni94  1  0.854465  0.231996  0.292680  1
  Ni  Ni95  1  0.667383  0.549133  0.386543  1
  Ni  Ni96  1  0.118098  0.402781  0.328868  1
  Ni  Ni97  1  0.317008  0.888816  0.351595  1
  Ni  Ni98  1  0.758969  0.728001  0.297604  1
  Ni  Ni99  1  0.741316  0.033261  0.379597  1
  Ni  Ni100  1  0.190349  0.884500  0.324501  1
  Ni  Ni101  1  0.609096  0.797381  0.316326  1
  Ni  Ni102  1  0.160272  0.932894  0.372346  1
  Ni  Ni103  1  0.347382  0.847258  0.305509  1
  Ni  Ni104  1  0.895419  0.983661  0.358990  1
  Ni  Ni105  1  0.581837  0.535419  0.300861  1
  Ni  Ni106  1  0.122700  0.672218  0.355550  1
  Ni  Ni107  1  0.302572  0.033093  0.394107  1
  Ni  Ni108  1  0.853846  0.177257  0.449260  1
  Ni  Ni109  1  0.731895  0.341702  0.452543  1
  Ni  Ni110  1  0.181732  0.199115  0.396880  1
  Ni  Ni111  1  0.525142  0.157497  0.501452  1
  Ni  Ni112  1  0.975221  0.013614  0.445986  1
  Ni  Ni113  1  0.785334  0.577358  0.421714  1
  Ni  Ni114  1  0.335015  0.721070  0.476498  1
  Ni  Ni115  1  0.371728  0.637452  0.421582  1
  Ni  Ni116  1  0.921730  0.776705  0.476395  1
  Ni  Ni117  1  0.635768  0.328446  0.413744  1
  Ni  Ni118  1  0.186130  0.472503  0.468642  1
  Ni  Ni119  1  0.520517  0.884535  0.429252  1
  Ni  Ni120  1  0.072295  0.027593  0.484695  1
  Ni  Ni121  1  0.487180  0.388521  0.430100  1
  Ni  Ni122  1  0.038225  0.530817  0.485594  1
  Ni  Ni123  1  0.530258  0.406124  0.475977  1
  Ni  Ni124  1  0.980547  0.261437  0.420397  1
  Ni  Ni125  1  0.726898  0.092979  0.477606  1
  Ni  Ni126  1  0.177144  0.950032  0.422042  1
  Ni  Ni127  1  0.633667  0.859234  0.460740  1
  Ni  Ni128  1  0.086308  0.716790  0.404944  1
  Ni  Ni129  1  0.622823  0.640294  0.492553  1
  Ni  Ni130  1  0.072249  0.496095  0.437361  1
  Ni  Ni131  1  0.483681  0.907365  0.477767  1
  Ni  Ni132  1  0.933684  0.762968  0.422195  1
  Ni  Ni133  1  0.772638  0.592446  0.475795  1
  Ni  Ni134  1  0.222920  0.449891  0.420442  1
  Ni  Ni135  1  0.489385  0.662618  0.456270  1
  Ni  Ni136  1  0.938903  0.518574  0.401555  1
  Ni  Ni137  1  0.768358  0.836560  0.497230  1
  Ni  Ni138  1  0.217602  0.693642  0.441180  1
  Ni  Ni139  1  0.416827  0.177020  0.463127  1
  Ni  Ni140  1  0.866914  0.032112  0.407724  1
  Ni  Ni141  1  0.840287  0.320895  0.490911  1
  Ni  Ni142  1  0.290619  0.181061  0.435109  1
  Ni  Ni143  1  0.711977  0.079798  0.427594  1
  Ni  Ni144  1  0.262517  0.222782  0.483051  1
  Ni  Ni145  1  0.443894  0.135075  0.415027  1
  Ni  Ni146  1  0.995497  0.276182  0.470340  1
  Ni  Ni147  1  0.668064  0.826484  0.412398  1
  Ni  Ni148  1  0.219095  0.969271  0.468032  1
  Ni  Ni149  1  0.403666  0.321796  0.504544  1
  Ni  Ni150  1  0.953360  0.465966  0.559790  1
  Ni  Ni151  1  0.832118  0.629634  0.563013  1
  Ni  Ni152  1  0.282135  0.486030  0.507626  1
  Ni  Ni153  1  0.625513  0.444633  0.612227  1
  Ni  Ni154  1  0.075347  0.301682  0.556502  1
  Ni  Ni155  1  0.885444  0.866648  0.532627  1
  Ni  Ni156  1  0.435681  0.006496  0.587578  1
  Ni  Ni157  1  0.472337  0.922452  0.532570  1
  Ni  Ni158  1  0.021911  0.066071  0.587305  1
  Ni  Ni159  1  0.734909  0.615877  0.524342  1
  Ni  Ni160  1  0.286680  0.758889  0.579811  1
  Ni  Ni161  1  0.621206  0.170969  0.540424  1
  Ni  Ni162  1  0.171361  0.314971  0.595306  1
  Ni  Ni163  1  0.588104  0.674329  0.541060  1
  Ni  Ni164  1  0.139231  0.816845  0.596602  1
  Ni  Ni165  1  0.629998  0.693593  0.587079  1
  Ni  Ni166  1  0.080352  0.550417  0.531437  1
  Ni  Ni167  1  0.826602  0.381722  0.588651  1
  Ni  Ni168  1  0.277058  0.237381  0.533081  1
  Ni  Ni169  1  0.735005  0.147237  0.571709  1
  Ni  Ni170  1  0.184391  0.003193  0.516494  1
  Ni  Ni171  1  0.720879  0.926508  0.604197  1
  Ni  Ni172  1  0.173662  0.784299  0.548279  1
  Ni  Ni173  1  0.584424  0.193887  0.588669  1
  Ni  Ni174  1  0.034600  0.050926  0.533240  1
  Ni  Ni175  1  0.873593  0.880440  0.586808  1
  Ni  Ni176  1  0.323598  0.736189  0.531310  1
  Ni  Ni177  1  0.589650  0.950029  0.567923  1
  Ni  Ni178  1  0.038863  0.806808  0.511774  1
  Ni  Ni179  1  0.868237  0.124797  0.607460  1
  Ni  Ni180  1  0.318013  0.980959  0.552840  1
  Ni  Ni181  1  0.516627  0.462689  0.573975  1
  Ni  Ni182  1  0.966980  0.322458  0.518127  1
  Ni  Ni183  1  0.940349  0.611104  0.601299  1
  Ni  Ni184  1  0.390467  0.466590  0.545967  1
  Ni  Ni185  1  0.811678  0.367121  0.538697  1
  Ni  Ni186  1  0.363380  0.508589  0.594080  1
  Ni  Ni187  1  0.544826  0.420778  0.526012  1
  Ni  Ni188  1  0.095176  0.563530  0.581457  1
  Ni  Ni189  1  0.769042  0.112397  0.523443  1
  Ni  Ni190  1  0.320055  0.255240  0.578948  1
  Ni  Ni191  1  0.504669  0.610781  0.614981  1
  Ni  Ni192  1  0.053198  0.755060  0.671798  1
  Ni  Ni193  1  0.934638  0.922829  0.674200  1
  Ni  Ni194  1  0.381894  0.773153  0.619056  1
  Ni  Ni195  1  0.731172  0.730856  0.721067  1
  Ni  Ni196  1  0.171323  0.587771  0.669046  1
  Ni  Ni197  1  0.984496  0.154899  0.643061  1
  Ni  Ni198  1  0.537501  0.312156  0.699462  1
  Ni  Ni199  1  0.574572  0.211931  0.645368  1
  Ni  Ni200  1  0.130401  0.351923  0.702101  1
  Ni  Ni201  1  0.834305  0.909504  0.635422  1
  Ni  Ni202  1  0.379129  0.042164  0.693773  1
  Ni  Ni203  1  0.721130  0.457498  0.650880  1
  Ni  Ni204  1  0.269315  0.576793  0.707546  1
  Ni  Ni205  1  0.684482  0.972100  0.653683  1
  Ni  Ni206  1  0.226719  0.108445  0.708061  1
  Ni  Ni207  1  0.725276  0.986001  0.699423  1
  Ni  Ni208  1  0.180379  0.835470  0.643019  1
  Ni  Ni209  1  0.925252  0.681040  0.700926  1
  Ni  Ni210  1  0.379086  0.522300  0.643282  1
  Ni  Ni211  1  0.833121  0.449207  0.682913  1
  Ni  Ni212  1  0.283623  0.286158  0.626174  1
  Ni  Ni213  1  0.821572  0.225073  0.713025  1
  Ni  Ni214  1  0.275312  0.066935  0.660472  1
  Ni  Ni215  1  0.683457  0.494152  0.697339  1
  Ni  Ni216  1  0.129517  0.343876  0.642061  1
  Ni  Ni217  1  0.979896  0.170728  0.697357  1
  Ni  Ni218  1  0.424138  0.016301  0.644864  1
  Ni  Ni219  1  0.688802  0.241000  0.680332  1
  Ni  Ni220  1  0.139814  0.094411  0.622529  1
  Ni  Ni221  1  0.952603  0.411126  0.716338  1
  Ni  Ni222  1  0.419491  0.263275  0.665485  1
  Ni  Ni223  1  0.616434  0.761937  0.684475  1
  Ni  Ni224  1  0.065910  0.610041  0.629421  1
  Ni  Ni225  1  0.047974  0.914900  0.711416  1
  Ni  Ni226  1  0.490123  0.755118  0.657418  1
  Ni  Ni227  1  0.911706  0.659300  0.649959  1
  Ni  Ni228  1  0.457654  0.796742  0.702940  1
  Ni  Ni229  1  0.647171  0.711334  0.636800  1
  Ni  Ni230  1  0.198016  0.845963  0.692747  1
  Ni  Ni231  1  0.868931  0.404255  0.634754  1
  Ni  Ni232  1  0.420495  0.533824  0.688635  1
