# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57041825
_cell_length_b   18.67494763
_cell_length_c   50.84005863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.39915109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6208.40649275
_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  0.151115  0.974499  0.327167  1
  Zr  Zr2  1  0.555318  0.365407  0.259709  1
  Zr  Zr3  1  0.795893  0.764822  0.351316  1
  Zr  Zr4  1  0.217426  0.149713  0.282248  1
  Zr  Zr5  1  0.483691  0.618052  0.309484  1
  Zr  Zr6  1  0.944251  0.986954  0.248167  1
  Zr  Zr7  1  0.467202  0.125344  0.368112  1
  Zr  Zr8  1  0.866651  0.505328  0.302355  1
  Zr  Zr9  1  0.626953  0.762523  0.267734  1
  Zr  Zr10  1  0.227402  0.361377  0.325317  1
  Zr  Zr11  1  0.132728  0.762214  0.285869  1
  Zr  Zr12  1  0.729084  0.355676  0.342823  1
  Zr  Zr13  1  0.651409  0.966438  0.309697  1
  Zr  Zr14  1  0.237613  0.565621  0.365955  1
  Zr  Zr15  1  0.124429  0.551821  0.247949  1
  Zr  Zr16  1  0.716696  0.157542  0.300723  1
  Zr  Zr17  1  0.321178  0.182822  0.452096  1
  Zr  Zr18  1  0.740270  0.567029  0.384971  1
  Zr  Zr19  1  0.974857  0.975215  0.476828  1
  Zr  Zr20  1  0.395632  0.359313  0.409484  1
  Zr  Zr21  1  0.665817  0.826410  0.435110  1
  Zr  Zr22  1  0.074687  0.210111  0.365902  1
  Zr  Zr23  1  0.642072  0.334460  0.495551  1
  Zr  Zr24  1  0.048982  0.716577  0.426787  1
  Zr  Zr25  1  0.814075  0.978403  0.392446  1
  Zr  Zr26  1  0.403185  0.570966  0.451073  1
  Zr  Zr27  1  0.314062  0.972050  0.410745  1
  Zr  Zr28  1  0.902453  0.565013  0.468976  1
  Zr  Zr29  1  0.825729  0.180331  0.435115  1
  Zr  Zr30  1  0.415767  0.774891  0.491767  1
  Zr  Zr31  1  0.297552  0.767801  0.370307  1
  Zr  Zr32  1  0.889708  0.362282  0.426479  1
  Zr  Zr33  1  0.496873  0.391798  0.577979  1
  Zr  Zr34  1  0.917648  0.775896  0.510634  1
  Zr  Zr35  1  0.152235  0.184082  0.602491  1
  Zr  Zr36  1  0.571327  0.568289  0.535367  1
  Zr  Zr37  1  0.843523  0.034534  0.560675  1
  Zr  Zr38  1  0.250433  0.416651  0.491911  1
  Zr  Zr39  1  0.817818  0.541000  0.621560  1
  Zr  Zr40  1  0.226688  0.924701  0.552352  1
  Zr  Zr41  1  0.990052  0.186098  0.518486  1
  Zr  Zr42  1  0.578443  0.779061  0.576717  1
  Zr  Zr43  1  0.489320  0.180145  0.536389  1
  Zr  Zr44  1  0.078430  0.772708  0.595016  1
  Zr  Zr45  1  0.002797  0.388829  0.560983  1
  Zr  Zr46  1  0.594953  0.983310  0.617155  1
  Zr  Zr47  1  0.476738  0.976220  0.495696  1
  Zr  Zr48  1  0.066776  0.570780  0.552347  1
  Zr  Zr49  1  0.675079  0.601398  0.705214  1
  Zr  Zr50  1  0.096612  0.986289  0.636146  1
  Zr  Zr51  1  0.337187  0.385704  0.727753  1
  Zr  Zr52  1  0.741390  0.776612  0.660295  1
  Zr  Zr53  1  0.025854  0.245783  0.685107  1
  Zr  Zr54  1  0.425304  0.625767  0.619350  1
  Zr  Zr55  1  0.948254  0.764157  0.739295  1
  Zr  Zr56  1  0.408814  0.133059  0.677978  1
  Zr  Zr57  1  0.163421  0.395435  0.644640  1
  Zr  Zr58  1  0.759777  0.988897  0.701593  1
  Zr  Zr59  1  0.665103  0.389734  0.662145  1
  Zr  Zr60  1  0.265552  0.988588  0.719728  1
  Zr  Zr61  1  0.175809  0.593569  0.686739  1
  Zr  Zr62  1  0.768076  0.199290  0.739513  1
  Zr  Zr63  1  0.654892  0.185490  0.621507  1
  Zr  Zr64  1  0.241096  0.784673  0.677765  1
  Ni  Ni65  1  0.471008  0.869034  0.339418  1
  Ni  Ni66  1  0.885850  0.255338  0.266868  1
  Ni  Ni67  1  0.483211  0.987165  0.360564  1
  Ni  Ni68  1  0.891056  0.368563  0.291773  1
  Ni  Ni69  1  0.463524  0.753532  0.317953  1
  Ni  Ni70  1  0.875498  0.128621  0.251502  1
  Ni  Ni71  1  0.425956  0.076602  0.319471  1
  Ni  Ni72  1  0.821516  0.465564  0.255621  1
  Ni  Ni73  1  0.538599  0.660070  0.356501  1
  Ni  Ni74  1  0.940383  0.046861  0.291750  1
  Ni  Ni75  1  0.923865  0.834944  0.248348  1
  Ni  Ni76  1  0.538812  0.428205  0.304237  1
  Ni  Ni77  1  0.815592  0.694179  0.304556  1
  Ni  Ni78  1  0.416934  0.285535  0.365439  1
  Ni  Ni79  1  0.003927  0.907872  0.286930  1
  Ni  Ni80  1  0.595735  0.506631  0.343420  1
  Ni  Ni81  1  0.376295  0.869601  0.292372  1
  Ni  Ni82  1  0.974939  0.466352  0.350719  1
  Ni  Ni83  1  0.368546  0.656720  0.259570  1
  Ni  Ni84  1  0.983289  0.252869  0.314823  1
  Ni  Ni85  1  0.105103  0.614113  0.290872  1
  Ni  Ni86  1  0.720093  0.205408  0.346701  1
  Ni  Ni87  1  0.638368  0.918383  0.263983  1
  Ni  Ni88  1  0.243950  0.510033  0.317965  1
  Ni  Ni89  1  0.152125  0.687887  0.332844  1
  Ni  Ni90  1  0.588037  0.062609  0.268482  1
  Ni  Ni91  1  0.792310  0.059329  0.344989  1
  Ni  Ni92  1  0.198074  0.434116  0.277563  1
  Ni  Ni93  1  0.291667  0.997810  0.278740  1
  Ni  Ni94  1  0.881577  0.602721  0.338110  1
  Ni  Ni95  1  0.469477  0.521646  0.272633  1
  Ni  Ni96  1  0.074719  0.123260  0.329368  1
  Ni  Ni97  1  0.113377  0.832334  0.328492  1
  Ni  Ni98  1  0.534444  0.214498  0.259295  1
  Ni  Ni99  1  0.831999  0.905412  0.350279  1
  Ni  Ni100  1  0.245880  0.293757  0.280672  1
  Ni  Ni101  1  0.982819  0.691044  0.249094  1
  Ni  Ni102  1  0.596336  0.289900  0.301774  1
  Ni  Ni103  1  0.761064  0.832139  0.305410  1
  Ni  Ni104  1  0.360385  0.429191  0.364484  1
  Ni  Ni105  1  0.749937  0.608650  0.267020  1
  Ni  Ni106  1  0.358331  0.215212  0.324308  1
  Ni  Ni107  1  0.647423  0.079483  0.464846  1
  Ni  Ni108  1  0.068699  0.463286  0.397021  1
  Ni  Ni109  1  0.657574  0.195065  0.486798  1
  Ni  Ni110  1  0.072709  0.579269  0.418589  1
  Ni  Ni111  1  0.643450  0.963574  0.443096  1
  Ni  Ni112  1  0.060044  0.347831  0.375312  1
  Ni  Ni113  1  0.589702  0.287621  0.449243  1
  Ni  Ni114  1  0.995815  0.672953  0.380342  1
  Ni  Ni115  1  0.719907  0.869247  0.481645  1
  Ni  Ni116  1  0.125323  0.255018  0.412621  1
  Ni  Ni117  1  0.125158  0.048528  0.370843  1
  Ni  Ni118  1  0.717682  0.637805  0.430111  1
  Ni  Ni119  1  0.997735  0.905130  0.431567  1
  Ni  Ni120  1  0.591283  0.494706  0.491399  1
  Ni  Ni121  1  0.184587  0.119664  0.410003  1
  Ni  Ni122  1  0.775003  0.715750  0.468838  1
  Ni  Ni123  1  0.558282  0.080199  0.417994  1
  Ni  Ni124  1  0.150205  0.675036  0.476015  1
  Ni  Ni125  1  0.565751  0.867863  0.385862  1
  Ni  Ni126  1  0.158099  0.462799  0.443399  1
  Ni  Ni127  1  0.292805  0.824382  0.416690  1
  Ni  Ni128  1  0.892082  0.413103  0.472605  1
  Ni  Ni129  1  0.823136  0.130361  0.388787  1
  Ni  Ni130  1  0.422088  0.718992  0.445000  1
  Ni  Ni131  1  0.334036  0.896811  0.458462  1
  Ni  Ni132  1  0.753842  0.275892  0.389933  1
  Ni  Ni133  1  0.962087  0.267047  0.471811  1
  Ni  Ni134  1  0.380526  0.645654  0.403449  1
  Ni  Ni135  1  0.479862  0.211147  0.406236  1
  Ni  Ni136  1  0.062971  0.810802  0.463678  1
  Ni  Ni137  1  0.651171  0.732060  0.398290  1
  Ni  Ni138  1  0.234888  0.330699  0.454832  1
  Ni  Ni139  1  0.292223  0.041475  0.453880  1
  Ni  Ni140  1  0.709622  0.425736  0.385926  1
  Ni  Ni141  1  0.006577  0.116319  0.475814  1
  Ni  Ni142  1  0.424244  0.501262  0.407758  1
  Ni  Ni143  1  0.181239  0.904320  0.372176  1
  Ni  Ni144  1  0.772384  0.497346  0.429629  1
  Ni  Ni145  1  0.943991  0.045623  0.432011  1
  Ni  Ni146  1  0.535799  0.638545  0.490025  1
  Ni  Ni147  1  0.939462  0.826845  0.393002  1
  Ni  Ni148  1  0.532292  0.423653  0.451384  1
  Ni  Ni149  1  0.823806  0.287825  0.590442  1
  Ni  Ni150  1  0.245082  0.671628  0.522616  1
  Ni  Ni151  1  0.832461  0.403280  0.612150  1
  Ni  Ni152  1  0.249055  0.787537  0.544366  1
  Ni  Ni153  1  0.819796  0.171842  0.568873  1
  Ni  Ni154  1  0.234931  0.556046  0.500665  1
  Ni  Ni155  1  0.767182  0.496093  0.574841  1
  Ni  Ni156  1  0.172598  0.881864  0.505817  1
  Ni  Ni157  1  0.896690  0.078158  0.607120  1
  Ni  Ni158  1  0.302803  0.463490  0.538219  1
  Ni  Ni159  1  0.301222  0.256405  0.496063  1
  Ni  Ni160  1  0.894770  0.845981  0.555895  1
  Ni  Ni161  1  0.174823  0.113306  0.557351  1
  Ni  Ni162  1  0.767347  0.702583  0.616619  1
  Ni  Ni163  1  0.360213  0.327458  0.536078  1
  Ni  Ni164  1  0.953043  0.924266  0.594460  1
  Ni  Ni165  1  0.734406  0.288312  0.544063  1
  Ni  Ni166  1  0.326754  0.883248  0.601600  1
  Ni  Ni167  1  0.742300  0.076075  0.511447  1
  Ni  Ni168  1  0.334223  0.670912  0.569468  1
  Ni  Ni169  1  0.470417  0.032119  0.542463  1
  Ni  Ni170  1  0.069369  0.620750  0.598675  1
  Ni  Ni171  1  0.000423  0.338008  0.514858  1
  Ni  Ni172  1  0.599700  0.926729  0.570772  1
  Ni  Ni173  1  0.511979  0.105457  0.584013  1
  Ni  Ni174  1  0.930418  0.484064  0.515651  1
  Ni  Ni175  1  0.138663  0.475219  0.597530  1
  Ni  Ni176  1  0.558469  0.854300  0.529000  1
  Ni  Ni177  1  0.657617  0.420412  0.532630  1
  Ni  Ni178  1  0.241334  0.019051  0.589172  1
  Ni  Ni179  1  0.829534  0.940309  0.523784  1
  Ni  Ni180  1  0.412643  0.539965  0.581226  1
  Ni  Ni181  1  0.468261  0.249849  0.579704  1
  Ni  Ni182  1  0.885928  0.634792  0.511648  1
  Ni  Ni183  1  0.182883  0.325375  0.601536  1
  Ni  Ni184  1  0.600282  0.709636  0.533582  1
  Ni  Ni185  1  0.356706  0.112566  0.497437  1
  Ni  Ni186  1  0.948514  0.705488  0.555451  1
  Ni  Ni187  1  0.120121  0.253765  0.557833  1
  Ni  Ni188  1  0.711266  0.846791  0.615286  1
  Ni  Ni189  1  0.117502  0.035361  0.518624  1
  Ni  Ni190  1  0.707918  0.631447  0.577459  1
  Ni  Ni191  1  0.006655  0.495773  0.720594  1
  Ni  Ni192  1  0.421497  0.882077  0.648044  1
  Ni  Ni193  1  0.017007  0.622490  0.735960  1
  Ni  Ni194  1  0.428981  0.997579  0.669509  1
  Ni  Ni195  1  0.001449  0.382548  0.695689  1
  Ni  Ni196  1  0.409294  0.763946  0.626898  1
  Ni  Ni197  1  0.952122  0.704250  0.695712  1
  Ni  Ni198  1  0.353906  0.091041  0.630961  1
  Ni  Ni199  1  0.070989  0.285547  0.731841  1
  Ni  Ni200  1  0.466549  0.674509  0.667991  1
  Ni  Ni201  1  0.475571  0.465576  0.622023  1
  Ni  Ni202  1  0.076913  0.056932  0.682906  1
  Ni  Ni203  1  0.353693  0.322906  0.683225  1
  Ni  Ni204  1  0.968640  0.916167  0.739114  1
  Ni  Ni205  1  0.534174  0.535899  0.663154  1
  Ni  Ni206  1  0.142568  0.142461  0.720442  1
  Ni  Ni207  1  0.909216  0.498242  0.672639  1
  Ni  Ni208  1  0.523959  0.094391  0.727892  1
  Ni  Ni209  1  0.917566  0.284759  0.636743  1
  Ni  Ni210  1  0.516210  0.881510  0.695090  1
  Ni  Ni211  1  0.648555  0.241078  0.669497  1
  Ni  Ni212  1  0.254137  0.832728  0.723479  1
  Ni  Ni213  1  0.172412  0.545703  0.640761  1
  Ni  Ni214  1  0.787402  0.136998  0.696590  1
  Ni  Ni215  1  0.694431  0.316995  0.709899  1
  Ni  Ni216  1  0.100195  0.691782  0.642473  1
  Ni  Ni217  1  0.304468  0.688502  0.718980  1
  Ni  Ni218  1  0.740380  0.063224  0.654619  1
  Ni  Ni219  1  0.817786  0.627851  0.658094  1
  Ni  Ni220  1  0.423028  0.229465  0.714829  1
  Ni  Ni221  1  0.010928  0.148390  0.649352  1
  Ni  Ni222  1  0.600838  0.753301  0.708722  1
  Ni  Ni223  1  0.646625  0.457354  0.706790  1
  Ni  Ni224  1  0.060506  0.845699  0.637183  1
  Ni  Ni225  1  0.358061  0.536613  0.728167  1
  Ni  Ni226  1  0.779128  0.918777  0.658970  1
  Ni  Ni227  1  0.532120  0.321920  0.622978  1
  Ni  Ni228  1  0.131441  0.918972  0.682052  1
  Ni  Ni229  1  0.296169  0.461211  0.685688  1
  Ni  Ni230  1  0.909686  0.060067  0.738369  1
  Ni  Ni231  1  0.296770  0.244480  0.644042  1
  Ni  Ni232  1  0.888578  0.843239  0.700532  1
