# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63249568
_cell_length_b   20.22001425
_cell_length_c   52.40894678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.27995834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr36 Ni126'
_cell_volume   4907.87547965
_cell_formula_units_Z   18
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  0.031036  0.181522  0.365175  1
  Zr  Zr2  1  0.401836  0.896837  0.319286  1
  Zr  Zr3  1  0.671218  0.465837  0.412325  1
  Zr  Zr4  1  0.021403  0.029702  0.341058  1
  Zr  Zr5  1  0.394771  0.739992  0.298886  1
  Zr  Zr6  1  0.666789  0.312900  0.388359  1
  Zr  Zr7  1  0.536346  0.256577  0.299613  1
  Zr  Zr8  1  0.860799  0.823885  0.388870  1
  Zr  Zr9  1  0.199035  0.541306  0.340270  1
  Zr  Zr10  1  0.489427  0.953399  0.412702  1
  Zr  Zr11  1  0.849283  0.670537  0.365421  1
  Zr  Zr12  1  0.180924  0.390111  0.318001  1
  Zr  Zr13  1  0.955684  0.029251  0.508072  1
  Zr  Zr14  1  0.315317  0.747639  0.460312  1
  Zr  Zr15  1  0.595667  0.311187  0.555796  1
  Zr  Zr16  1  0.944618  0.876850  0.484516  1
  Zr  Zr17  1  0.302071  0.595152  0.436390  1
  Zr  Zr18  1  0.583265  0.158694  0.531952  1
  Zr  Zr19  1  0.499245  0.106344  0.435923  1
  Zr  Zr20  1  0.771176  0.670501  0.532168  1
  Zr  Zr21  1  0.134757  0.388298  0.484041  1
  Zr  Zr22  1  0.400141  0.799700  0.556563  1
  Zr  Zr23  1  0.760737  0.518093  0.508064  1
  Zr  Zr24  1  0.125770  0.236020  0.459942  1
  Zr  Zr25  1  0.877477  0.877429  0.650854  1
  Zr  Zr26  1  0.225286  0.594008  0.603572  1
  Zr  Zr27  1  0.513324  0.167321  0.693339  1
  Zr  Zr28  1  0.863392  0.725296  0.627639  1
  Zr  Zr29  1  0.224393  0.440799  0.579591  1
  Zr  Zr30  1  0.515519  0.009692  0.673104  1
  Zr  Zr31  1  0.410434  0.952606  0.579983  1
  Zr  Zr32  1  0.718761  0.516525  0.673964  1
  Zr  Zr33  1  0.054283  0.236085  0.626731  1
  Zr  Zr34  1  0.362580  0.647661  0.690823  1
  Zr  Zr35  1  0.701968  0.365493  0.651626  1
  Zr  Zr36  1  0.041351  0.082590  0.603469  1
  Ni  Ni37  1  0.519421  0.105521  0.351665  1
  Ni  Ni38  1  0.889921  0.823816  0.301649  1
  Ni  Ni39  1  0.164287  0.389653  0.400348  1
  Ni  Ni40  1  0.034196  0.257148  0.322306  1
  Ni  Ni41  1  0.348648  0.822101  0.416134  1
  Ni  Ni42  1  0.694693  0.540436  0.367569  1
  Ni  Ni43  1  0.017816  0.064505  0.289486  1
  Ni  Ni44  1  0.339307  0.623043  0.384445  1
  Ni  Ni45  1  0.677881  0.341535  0.337448  1
  Ni  Ni46  1  0.999282  0.954831  0.385208  1
  Ni  Ni47  1  0.362887  0.671325  0.338563  1
  Ni  Ni48  1  0.690824  0.387280  0.291332  1
  Ni  Ni49  1  0.006137  0.154395  0.416637  1
  Ni  Ni50  1  0.367981  0.871364  0.369819  1
  Ni  Ni51  1  0.699183  0.588948  0.319466  1
  Ni  Ni52  1  0.761151  0.067894  0.388034  1
  Ni  Ni53  1  0.123350  0.786631  0.339703  1
  Ni  Ni54  1  0.442610  0.500648  0.290438  1
  Ni  Ni55  1  0.784667  0.146187  0.316634  1
  Ni  Ni56  1  0.082789  0.709436  0.412820  1
  Ni  Ni57  1  0.432337  0.428547  0.364833  1
  Ni  Ni58  1  0.029460  0.194823  0.279466  1
  Ni  Ni59  1  0.348839  0.747987  0.376336  1
  Ni  Ni60  1  0.684512  0.466539  0.327585  1
  Ni  Ni61  1  0.523493  0.179959  0.392055  1
  Ni  Ni62  1  0.893603  0.896868  0.344498  1
  Ni  Ni63  1  0.215233  0.612835  0.297853  1
  Ni  Ni64  1  0.520335  0.981196  0.359673  1
  Ni  Ni65  1  0.884362  0.698304  0.315181  1
  Ni  Ni66  1  0.159782  0.264895  0.407710  1
  Ni  Ni67  1  0.516141  0.031759  0.311787  1
  Ni  Ni68  1  0.812924  0.596919  0.409077  1
  Ni  Ni69  1  0.177651  0.315263  0.360992  1
  Ni  Ni70  1  0.531298  0.229036  0.346672  1
  Ni  Ni71  1  0.910532  0.949037  0.300965  1
  Ni  Ni72  1  0.174370  0.513888  0.392957  1
  Ni  Ni73  1  0.277645  0.146239  0.315632  1
  Ni  Ni74  1  0.582262  0.710021  0.412386  1
  Ni  Ni75  1  0.929423  0.428294  0.364134  1
  Ni  Ni76  1  0.262969  0.066974  0.388633  1
  Ni  Ni77  1  0.629770  0.786598  0.341078  1
  Ni  Ni78  1  0.953812  0.502930  0.291804  1
  Ni  Ni79  1  0.450036  0.953090  0.496284  1
  Ni  Ni80  1  0.807618  0.671360  0.448432  1
  Ni  Ni81  1  0.090872  0.234966  0.543746  1
  Ni  Ni82  1  0.988507  0.104377  0.463531  1
  Ni  Ni83  1  0.259681  0.668409  0.559690  1
  Ni  Ni84  1  0.623977  0.386109  0.511508  1
  Ni  Ni85  1  0.981529  0.905442  0.432195  1
  Ni  Ni86  1  0.253304  0.469718  0.527394  1
  Ni  Ni87  1  0.617652  0.187634  0.479388  1
  Ni  Ni88  1  0.911262  0.801809  0.528911  1
  Ni  Ni89  1  0.271759  0.520238  0.480619  1
  Ni  Ni90  1  0.637189  0.238189  0.432367  1
  Ni  Ni91  1  0.919049  1.000610  0.560413  1
  Ni  Ni92  1  0.279606  0.718772  0.512783  1
  Ni  Ni93  1  0.641855  0.436764  0.464648  1
  Ni  Ni94  1  0.677170  0.914379  0.532316  1
  Ni  Ni95  1  0.037235  0.632862  0.484292  1
  Ni  Ni96  1  0.400712  0.351084  0.436031  1
  Ni  Ni97  1  0.722785  0.991590  0.460449  1
  Ni  Ni98  1  0.994160  0.555996  0.555658  1
  Ni  Ni99  1  0.359833  0.273428  0.507865  1
  Ni  Ni100  1  0.990540  0.029926  0.424371  1
  Ni  Ni101  1  0.267500  0.594357  0.520105  1
  Ni  Ni102  1  0.629075  0.312104  0.471999  1
  Ni  Ni103  1  0.443838  0.027095  0.535616  1
  Ni  Ni104  1  0.804319  0.745477  0.487843  1
  Ni  Ni105  1  0.162005  0.463435  0.439896  1
  Ni  Ni106  1  0.436098  0.828497  0.503959  1
  Ni  Ni107  1  0.794042  0.546972  0.455774  1
  Ni  Ni108  1  0.075465  0.110413  0.551380  1
  Ni  Ni109  1  0.456533  0.878981  0.456980  1
  Ni  Ni110  1  0.733562  0.443116  0.552116  1
  Ni  Ni111  1  0.093711  0.160862  0.504404  1
  Ni  Ni112  1  0.464254  0.077698  0.488562  1
  Ni  Ni113  1  0.823798  0.795798  0.440955  1
  Ni  Ni114  1  0.102892  0.359364  0.536350  1
  Ni  Ni115  1  0.223027  0.991804  0.460246  1
  Ni  Ni116  1  0.493933  0.555446  0.556073  1
  Ni  Ni117  1  0.859719  0.273467  0.507871  1
  Ni  Ni118  1  0.177443  0.914560  0.532137  1
  Ni  Ni119  1  0.537237  0.632927  0.484262  1
  Ni  Ni120  1  0.900572  0.350674  0.436340  1
  Ni  Ni121  1  0.376392  0.800249  0.641344  1
  Ni  Ni122  1  0.730683  0.517092  0.591641  1
  Ni  Ni123  1  0.020463  0.084454  0.690674  1
  Ni  Ni124  1  0.900277  0.951454  0.607196  1
  Ni  Ni125  1  0.209629  0.519269  0.700638  1
  Ni  Ni126  1  0.542020  0.235460  0.653592  1
  Ni  Ni127  1  0.892811  0.751701  0.575848  1
  Ni  Ni128  1  0.203476  0.318088  0.672417  1
  Ni  Ni129  1  0.536017  0.035050  0.622688  1
  Ni  Ni130  1  0.864142  0.649590  0.669157  1
  Ni  Ni131  1  0.205256  0.366255  0.624280  1
  Ni  Ni132  1  0.552286  0.084152  0.576270  1
  Ni  Ni133  1  0.851701  0.853006  0.700691  1
  Ni  Ni134  1  0.217920  0.564795  0.654216  1
  Ni  Ni135  1  0.562670  0.283396  0.607704  1
  Ni  Ni136  1  0.617663  0.760385  0.677824  1
  Ni  Ni137  1  0.967080  0.478305  0.627735  1
  Ni  Ni138  1  0.317989  0.196333  0.579817  1
  Ni  Ni139  1  0.634860  0.838927  0.603880  1
  Ni  Ni140  1  0.948298  0.403832  0.700264  1
  Ni  Ni141  1  0.277610  0.120270  0.651351  1
  Ni  Ni142  1  0.909068  0.876065  0.568164  1
  Ni  Ni143  1  0.214458  0.440116  0.664312  1
  Ni  Ni144  1  0.553656  0.158525  0.615897  1
  Ni  Ni145  1  0.369860  0.875794  0.679707  1
  Ni  Ni146  1  0.713383  0.591516  0.631081  1
  Ni  Ni147  1  0.085656  0.309477  0.583087  1
  Ni  Ni148  1  0.362664  0.678427  0.645493  1
  Ni  Ni149  1  0.722160  0.392845  0.598974  1
  Ni  Ni150  1  0.010883  0.962154  0.690439  1
  Ni  Ni151  1  0.372514  0.726365  0.600398  1
  Ni  Ni152  1  0.688172  0.294262  0.694168  1
  Ni  Ni153  1  0.019469  0.010553  0.647361  1
  Ni  Ni154  1  0.379654  0.925166  0.632586  1
  Ni  Ni155  1  0.733683  0.641836  0.584411  1
  Ni  Ni156  1  0.022489  0.208919  0.677014  1
  Ni  Ni157  1  0.137828  0.837987  0.604498  1
  Ni  Ni158  1  0.459325  0.406243  0.701409  1
  Ni  Ni159  1  0.783773  0.120320  0.652502  1
  Ni  Ni160  1  0.108199  0.761006  0.677233  1
  Ni  Ni161  1  0.464117  0.477980  0.627051  1
  Ni  Ni162  1  0.817510  0.196945  0.579387  1
