# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72073060
_cell_length_b   17.70760884
_cell_length_c   52.26938441
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.66208384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   7087.51918668
_cell_formula_units_Z   9
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  0.488363  0.447830  0.313666  1
  Zr  Zr2  1  0.791614  0.127223  0.368458  1
  Zr  Zr3  1  0.180839  0.771609  0.259269  1
  Zr  Zr4  1  0.212674  0.669999  0.358682  1
  Zr  Zr5  1  0.506471  0.349360  0.415292  1
  Zr  Zr6  1  0.924293  0.991099  0.302592  1
  Zr  Zr7  1  0.118131  0.418236  0.259208  1
  Zr  Zr8  1  0.404018  0.102894  0.311367  1
  Zr  Zr9  1  0.694936  0.785246  0.367278  1
  Zr  Zr10  1  0.616075  0.694027  0.413880  1
  Zr  Zr11  1  0.006900  0.336602  0.305426  1
  Zr  Zr12  1  0.313106  0.014194  0.359768  1
  Zr  Zr13  1  0.736366  0.627413  0.318200  1
  Zr  Zr14  1  0.032597  0.304596  0.373543  1
  Zr  Zr15  1  0.440677  0.956958  0.265310  1
  Zr  Zr16  1  0.972494  0.491061  0.353835  1
  Zr  Zr17  1  0.271693  0.170789  0.409535  1
  Zr  Zr18  1  0.674673  0.812445  0.297848  1
  Zr  Zr19  1  0.252092  0.587304  0.278566  1
  Zr  Zr20  1  0.541432  0.267158  0.334097  1
  Zr  Zr21  1  0.841609  0.946169  0.389753  1
  Zr  Zr22  1  0.461651  0.530630  0.393248  1
  Zr  Zr23  1  0.885533  0.174413  0.282863  1
  Zr  Zr24  1  0.166728  0.852086  0.337887  1
  Zr  Zr25  1  0.406889  0.486751  0.479441  1
  Zr  Zr26  1  0.710090  0.165540  0.535067  1
  Zr  Zr27  1  0.100664  0.806826  0.423750  1
  Zr  Zr28  1  0.107668  0.707303  0.526703  1
  Zr  Zr29  1  0.413492  0.387090  0.582361  1
  Zr  Zr30  1  0.804347  0.028328  0.471038  1
  Zr  Zr31  1  0.991664  0.464410  0.424120  1
  Zr  Zr32  1  0.290449  0.143403  0.480089  1
  Zr  Zr33  1  0.593619  0.821736  0.535863  1
  Zr  Zr34  1  0.523019  0.729634  0.582043  1
  Zr  Zr35  1  0.921112  0.372146  0.470287  1
  Zr  Zr36  1  0.223920  0.050530  0.526031  1
  Zr  Zr37  1  0.633676  0.663806  0.485156  1
  Zr  Zr38  1  0.938364  0.343400  0.540950  1
  Zr  Zr39  1  0.330659  0.984542  0.429278  1
  Zr  Zr40  1  0.880873  0.530177  0.520977  1
  Zr  Zr41  1  0.183891  0.209309  0.576800  1
  Zr  Zr42  1  0.576041  0.850552  0.465146  1
  Zr  Zr43  1  0.146861  0.625773  0.445497  1
  Zr  Zr44  1  0.451531  0.305296  0.501442  1
  Zr  Zr45  1  0.754524  0.984237  0.556953  1
  Zr  Zr46  1  0.367599  0.568280  0.560636  1
  Zr  Zr47  1  0.759727  0.209740  0.449126  1
  Zr  Zr48  1  0.062951  0.888674  0.504694  1
  Zr  Zr49  1  0.302085  0.523838  0.647382  1
  Zr  Zr50  1  0.591971  0.203195  0.703085  1
  Zr  Zr51  1  0.008039  0.844831  0.590944  1
  Zr  Zr52  1  0.028092  0.745339  0.692395  1
  Zr  Zr53  1  0.333677  0.421729  0.746748  1
  Zr  Zr54  1  0.722287  0.067154  0.637685  1
  Zr  Zr55  1  0.898322  0.500034  0.592203  1
  Zr  Zr56  1  0.201636  0.179038  0.646682  1
  Zr  Zr57  1  0.508364  0.857289  0.700819  1
  Zr  Zr58  1  0.397032  0.774228  0.746972  1
  Zr  Zr59  1  0.819825  0.408654  0.638759  1
  Zr  Zr60  1  0.113426  0.090568  0.695872  1
  Zr  Zr61  1  0.542763  0.702926  0.652362  1
  Zr  Zr62  1  0.839618  0.381816  0.707989  1
  Zr  Zr63  1  0.242427  0.023088  0.596603  1
  Zr  Zr64  1  0.778327  0.566437  0.687867  1
  Zr  Zr65  1  0.074267  0.235616  0.740373  1
  Zr  Zr66  1  0.482314  0.888897  0.632471  1
  Zr  Zr67  1  0.053313  0.663402  0.612873  1
  Zr  Zr68  1  0.347919  0.341549  0.668183  1
  Zr  Zr69  1  0.633336  0.015097  0.721324  1
  Zr  Zr70  1  0.262460  0.606168  0.727554  1
  Zr  Zr71  1  0.672851  0.247922  0.616140  1
  Zr  Zr72  1  0.973147  0.926995  0.672628  1
  Ni  Ni73  1  0.208870  0.717711  0.306753  1
  Ni  Ni74  1  0.501314  0.398362  0.364511  1
  Ni  Ni75  1  0.931388  0.034379  0.251524  1
  Ni  Ni76  1  0.491208  0.697879  0.283714  1
  Ni  Ni77  1  0.779468  0.372209  0.341473  1
  Ni  Ni78  1  0.081603  0.053366  0.396837  1
  Ni  Ni79  1  0.219534  0.423314  0.386833  1
  Ni  Ni80  1  0.647173  0.067677  0.274058  1
  Ni  Ni81  1  0.927028  0.743230  0.330204  1
  Ni  Ni82  1  0.296314  0.679872  0.406351  1
  Ni  Ni83  1  0.685467  0.326153  0.291609  1
  Ni  Ni84  1  0.991881  0.001489  0.351160  1
  Ni  Ni85  1  0.446805  0.440139  0.265689  1
  Ni  Ni86  1  0.723216  0.115971  0.320063  1
  Ni  Ni87  1  0.013067  0.795956  0.376676  1
  Ni  Ni88  1  0.815626  0.473098  0.308902  1
  Ni  Ni89  1  0.118630  0.155042  0.364068  1
  Ni  Ni90  1  0.498791  0.813659  0.253590  1
  Ni  Ni91  1  0.885812  0.643480  0.363281  1
  Ni  Ni92  1  0.178577  0.322697  0.419489  1
  Ni  Ni93  1  0.601848  0.963645  0.306617  1
  Ni  Ni94  1  0.149403  0.472086  0.305796  1
  Ni  Ni95  1  0.444048  0.152116  0.361304  1
  Ni  Ni96  1  0.756483  0.830860  0.417168  1
  Ni  Ni97  1  0.934089  0.694579  0.284059  1
  Ni  Ni98  1  0.234897  0.374275  0.340756  1
  Ni  Ni99  1  0.531414  0.054444  0.395839  1
  Ni  Ni100  1  0.773654  0.421781  0.387298  1
  Ni  Ni101  1  0.179609  0.068374  0.276010  1
  Ni  Ni102  1  0.473685  0.743140  0.330923  1
  Ni  Ni103  1  0.783240  0.563355  0.395405  1
  Ni  Ni104  1  0.200513  0.216005  0.282326  1
  Ni  Ni105  1  0.487990  0.885840  0.338946  1
  Ni  Ni106  1  0.928355  0.550316  0.277972  1
  Ni  Ni107  1  0.219467  0.231555  0.329713  1
  Ni  Ni108  1  0.522137  0.912791  0.387167  1
  Ni  Ni109  1  0.115067  0.566405  0.394297  1
  Ni  Ni110  1  0.536803  0.207702  0.286426  1
  Ni  Ni111  1  0.820789  0.886733  0.337907  1
  Ni  Ni112  1  0.598892  0.553546  0.280254  1
  Ni  Ni113  1  0.888196  0.229176  0.332930  1
  Ni  Ni114  1  0.190362  0.910511  0.388698  1
  Ni  Ni115  1  0.945562  0.687196  0.406304  1
  Ni  Ni116  1  0.338573  0.331879  0.294051  1
  Ni  Ni117  1  0.641979  0.008482  0.349953  1
  Ni  Ni118  1  0.774057  0.432359  0.265671  1
  Ni  Ni119  1  0.072699  0.107913  0.321445  1
  Ni  Ni120  1  0.365789  0.789050  0.376883  1
  Ni  Ni121  1  0.288969  0.516015  0.349853  1
  Ni  Ni122  1  0.589063  0.193807  0.405269  1
  Ni  Ni123  1  0.995615  0.834853  0.295847  1
  Ni  Ni124  1  0.418767  0.602503  0.321595  1
  Ni  Ni125  1  0.713866  0.281316  0.378691  1
  Ni  Ni126  1  0.133577  0.921138  0.268224  1
  Ni  Ni127  1  0.638079  0.515296  0.350804  1
  Ni  Ni128  1  0.937364  0.194432  0.406823  1
  Ni  Ni129  1  0.342550  0.837736  0.295300  1
  Ni  Ni130  1  0.072953  0.602365  0.320411  1
  Ni  Ni131  1  0.366322  0.281771  0.377461  1
  Ni  Ni132  1  0.796283  0.914900  0.264669  1
  Ni  Ni133  1  0.556217  0.645928  0.365069  1
  Ni  Ni134  1  0.937348  0.299662  0.257430  1
  Ni  Ni135  1  0.265132  0.969496  0.310159  1
  Ni  Ni136  1  0.104421  0.757045  0.475158  1
  Ni  Ni137  1  0.410035  0.436952  0.530978  1
  Ni  Ni138  1  0.800279  0.077501  0.419789  1
  Ni  Ni139  1  0.387527  0.732390  0.452245  1
  Ni  Ni140  1  0.692074  0.412100  0.508137  1
  Ni  Ni141  1  0.996024  0.091294  0.563787  1
  Ni  Ni142  1  0.126920  0.461595  0.553876  1
  Ni  Ni143  1  0.518433  0.102617  0.442336  1
  Ni  Ni144  1  0.822391  0.781886  0.497992  1
  Ni  Ni145  1  0.204129  0.717361  0.573550  1
  Ni  Ni146  1  0.601806  0.358866  0.462243  1
  Ni  Ni147  1  0.905193  0.037561  0.517814  1
  Ni  Ni148  1  0.310471  0.476883  0.432588  1
  Ni  Ni149  1  0.609220  0.156372  0.488282  1
  Ni  Ni150  1  0.912903  0.835165  0.543923  1
  Ni  Ni151  1  0.733611  0.512581  0.475284  1
  Ni  Ni152  1  0.036987  0.191693  0.530959  1
  Ni  Ni153  1  0.427398  0.833315  0.419700  1
  Ni  Ni154  1  0.781088  0.681375  0.530849  1
  Ni  Ni155  1  0.086961  0.360553  0.586379  1
  Ni  Ni156  1  0.477359  0.002219  0.475127  1
  Ni  Ni157  1  0.063152  0.510335  0.473133  1
  Ni  Ni158  1  0.365904  0.189501  0.528868  1
  Ni  Ni159  1  0.664138  0.868648  0.584560  1
  Ni  Ni160  1  0.832643  0.734013  0.451585  1
  Ni  Ni161  1  0.138281  0.413885  0.507556  1
  Ni  Ni162  1  0.442032  0.093009  0.563055  1
  Ni  Ni163  1  0.681748  0.459994  0.554531  1
  Ni  Ni164  1  0.072516  0.100844  0.443063  1
  Ni  Ni165  1  0.376292  0.780114  0.498568  1
  Ni  Ni166  1  0.688845  0.600409  0.563146  1
  Ni  Ni167  1  0.081551  0.241757  0.451538  1
  Ni  Ni168  1  0.384177  0.920688  0.507139  1
  Ni  Ni169  1  0.825583  0.593635  0.442966  1
  Ni  Ni170  1  0.130419  0.273261  0.498984  1
  Ni  Ni171  1  0.432882  0.952141  0.554563  1
  Ni  Ni172  1  0.018858  0.603458  0.562292  1
  Ni  Ni173  1  0.412997  0.245477  0.450432  1
  Ni  Ni174  1  0.715223  0.924358  0.506255  1
  Ni  Ni175  1  0.495698  0.590619  0.443855  1
  Ni  Ni176  1  0.799193  0.269580  0.499851  1
  Ni  Ni177  1  0.101371  0.948484  0.555672  1
  Ni  Ni178  1  0.851739  0.725352  0.573623  1
  Ni  Ni179  1  0.249374  0.366988  0.462223  1
  Ni  Ni180  1  0.552036  0.046101  0.517823  1
  Ni  Ni181  1  0.662966  0.468744  0.432516  1
  Ni  Ni182  1  0.962274  0.147848  0.488263  1
  Ni  Ni183  1  0.265294  0.827058  0.543862  1
  Ni  Ni184  1  0.198919  0.553213  0.516658  1
  Ni  Ni185  1  0.501869  0.232727  0.572235  1
  Ni  Ni186  1  0.893654  0.873391  0.460751  1
  Ni  Ni187  1  0.315587  0.640821  0.489483  1
  Ni  Ni188  1  0.620758  0.320548  0.545399  1
  Ni  Ni189  1  0.012497  0.961085  0.433820  1
  Ni  Ni190  1  0.546711  0.553374  0.518087  1
  Ni  Ni191  1  0.850348  0.232694  0.573522  1
  Ni  Ni192  1  0.241638  0.873862  0.462247  1
  Ni  Ni193  1  0.967846  0.640615  0.488051  1
  Ni  Ni194  1  0.272735  0.320093  0.543843  1
  Ni  Ni195  1  0.664386  0.961197  0.432552  1
  Ni  Ni196  1  0.451447  0.683670  0.532996  1
  Ni  Ni197  1  0.850833  0.325363  0.421604  1
  Ni  Ni198  1  0.148502  0.004389  0.477236  1
  Ni  Ni199  1  0.013738  0.795910  0.641739  1
  Ni  Ni200  1  0.305573  0.475906  0.699302  1
  Ni  Ni201  1  0.714471  0.116434  0.586382  1
  Ni  Ni202  1  0.294999  0.770829  0.619339  1
  Ni  Ni203  1  0.587166  0.450761  0.675764  1
  Ni  Ni204  1  0.855139  0.126666  0.731971  1
  Ni  Ni205  1  0.023813  0.495467  0.722374  1
  Ni  Ni206  1  0.432561  0.140559  0.609278  1
  Ni  Ni207  1  0.735729  0.821474  0.664729  1
  Ni  Ni208  1  0.066897  0.753509  0.740431  1
  Ni  Ni209  1  0.501570  0.397753  0.629388  1
  Ni  Ni210  1  0.794641  0.078463  0.685747  1
  Ni  Ni211  1  0.218088  0.514135  0.599750  1
  Ni  Ni212  1  0.522750  0.193203  0.654811  1
  Ni  Ni213  1  0.832549  0.865165  0.715044  1
  Ni  Ni214  1  0.628870  0.550615  0.642803  1
  Ni  Ni215  1  0.913049  0.229840  0.699352  1
  Ni  Ni216  1  0.335877  0.871277  0.586615  1
  Ni  Ni217  1  0.700298  0.721153  0.697451  1
  Ni  Ni218  1  0.015531  0.378836  0.752274  1
  Ni  Ni219  1  0.393614  0.038598  0.641927  1
  Ni  Ni220  1  0.958575  0.547952  0.640992  1
  Ni  Ni221  1  0.252242  0.223446  0.695989  1
  Ni  Ni222  1  0.578124  0.893612  0.748773  1
  Ni  Ni223  1  0.741710  0.772218  0.618857  1
  Ni  Ni224  1  0.041246  0.450603  0.675108  1
  Ni  Ni225  1  0.355074  0.126197  0.730525  1
  Ni  Ni226  1  0.580206  0.498921  0.721965  1
  Ni  Ni227  1  0.983958  0.139318  0.610322  1
  Ni  Ni228  1  0.280403  0.819727  0.665411  1
  Ni  Ni229  1  0.586696  0.642797  0.728052  1
  Ni  Ni230  1  0.992742  0.280945  0.618957  1
  Ni  Ni231  1  0.296303  0.962584  0.676647  1
  Ni  Ni232  1  0.731640  0.630754  0.610707  1
  Ni  Ni233  1  0.027272  0.307857  0.667201  1
  Ni  Ni234  1  0.315638  0.978143  0.724255  1
  Ni  Ni235  1  0.916139  0.639807  0.725864  1
  Ni  Ni236  1  0.323776  0.283091  0.617491  1
  Ni  Ni237  1  0.626524  0.964594  0.672243  1
  Ni  Ni238  1  0.399652  0.627686  0.611876  1
  Ni  Ni239  1  0.694196  0.307296  0.668095  1
  Ni  Ni240  1  0.978895  0.985917  0.720316  1
  Ni  Ni241  1  0.740186  0.760244  0.740918  1
  Ni  Ni242  1  0.148934  0.404785  0.629167  1
  Ni  Ni243  1  0.443559  0.086472  0.684318  1
  Ni  Ni244  1  0.568802  0.506823  0.599813  1
  Ni  Ni245  1  0.872501  0.185866  0.656007  1
  Ni  Ni246  1  0.177578  0.861688  0.712284  1
  Ni  Ni247  1  0.096037  0.591076  0.684465  1
  Ni  Ni248  1  0.381978  0.273244  0.737668  1
  Ni  Ni249  1  0.800973  0.912989  0.627719  1
  Ni  Ni250  1  0.226356  0.677845  0.656205  1
  Ni  Ni251  1  0.518971  0.359013  0.710046  1
  Ni  Ni252  1  0.925251  0.000174  0.600796  1
  Ni  Ni253  1  0.441256  0.591524  0.685680  1
  Ni  Ni254  1  0.719735  0.280897  0.741240  1
  Ni  Ni255  1  0.147855  0.912744  0.628839  1
  Ni  Ni256  1  0.877011  0.678586  0.655325  1
  Ni  Ni257  1  0.172533  0.355357  0.710683  1
  Ni  Ni258  1  0.577241  -0.000528  0.599327  1
  Ni  Ni259  1  0.366307  0.721804  0.700337  1
  Ni  Ni260  1  0.758066  0.363178  0.588899  1
  Ni  Ni261  1  0.067698  0.042441  0.645452  1
