# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.50373432
_cell_length_b   6.95846514
_cell_length_c   48.59251524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.40865050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr40 Ni140'
_cell_volume   5543.51069405
_cell_formula_units_Z   20
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  0.796007  0.819911  0.344580  1
  Zr  Zr2  1  0.271118  0.682011  0.309035  1
  Zr  Zr3  1  0.766833  0.258494  0.316393  1
  Zr  Zr4  1  0.299598  0.398111  0.358884  1
  Zr  Zr5  1  0.059469  0.883877  0.364051  1
  Zr  Zr6  1  0.534160  0.748951  0.327184  1
  Zr  Zr7  1  0.034137  0.332553  0.335738  1
  Zr  Zr8  1  0.505505  0.204161  0.300802  1
  Zr  Zr9  1  0.850862  0.084966  0.428562  1
  Zr  Zr10  1  0.322837  0.948355  0.388072  1
  Zr  Zr11  1  0.821811  0.535599  0.400852  1
  Zr  Zr12  1  0.344639  0.666612  0.442449  1
  Zr  Zr13  1  0.111086  0.152868  0.449066  1
  Zr  Zr14  1  0.588108  0.015006  0.409074  1
  Zr  Zr15  1  0.083127  0.601624  0.419693  1
  Zr  Zr16  1  0.561450  0.465088  0.381098  1
  Zr  Zr17  1  0.893719  0.356648  0.512551  1
  Zr  Zr18  1  0.371351  0.219706  0.472018  1
  Zr  Zr19  1  0.864982  0.805498  0.483969  1
  Zr  Zr20  1  0.387248  0.940904  0.526410  1
  Zr  Zr21  1  0.153809  0.425888  0.533607  1
  Zr  Zr22  1  0.633053  0.287449  0.492899  1
  Zr  Zr23  1  0.126417  0.873208  0.503924  1
  Zr  Zr24  1  0.604912  0.735178  0.463935  1
  Zr  Zr25  1  0.937222  0.627278  0.594901  1
  Zr  Zr26  1  0.413860  0.493582  0.556025  1
  Zr  Zr27  1  0.908970  0.076978  0.567737  1
  Zr  Zr28  1  0.439511  0.211263  0.610398  1
  Zr  Zr29  1  0.197549  0.695046  0.617107  1
  Zr  Zr30  1  0.676223  0.558423  0.577188  1
  Zr  Zr31  1  0.174164  0.145155  0.588460  1
  Zr  Zr32  1  0.647544  0.007786  0.548131  1
  Zr  Zr33  1  0.998325  0.890000  0.677720  1
  Zr  Zr34  1  0.462148  0.762593  0.639280  1
  Zr  Zr35  1  0.968984  0.344240  0.648245  1
  Zr  Zr36  1  0.498574  0.478134  0.688625  1
  Zr  Zr37  1  0.256130  0.958041  0.697302  1
  Zr  Zr38  1  0.733651  0.827956  0.661988  1
  Zr  Zr39  1  0.230344  0.409844  0.670508  1
  Zr  Zr40  1  0.703949  0.275979  0.632826  1
  Ni  Ni41  1  0.743377  0.891384  0.283916  1
  Ni  Ni42  1  0.284374  0.038205  0.328366  1
  Ni  Ni43  1  0.955608  0.705210  0.331772  1
  Ni  Ni44  1  0.427420  0.567005  0.298671  1
  Ni  Ni45  1  0.920133  0.285181  0.299359  1
  Ni  Ni46  1  0.451578  0.418401  0.342476  1
  Ni  Ni47  1  0.871452  0.441238  0.346425  1
  Ni  Ni48  1  0.346888  0.302218  0.306149  1
  Ni  Ni49  1  0.842992  0.600556  0.301617  1
  Ni  Ni50  1  0.379574  0.736272  0.344176  1
  Ni  Ni51  1  0.876895  0.941054  0.295731  1
  Ni  Ni52  1  0.415928  0.065492  0.340460  1
  Ni  Ni53  1  0.911746  0.068525  0.338457  1
  Ni  Ni54  1  0.397332  0.921978  0.296136  1
  Ni  Ni55  1  0.015861  0.977456  0.306231  1
  Ni  Ni56  1  0.548326  0.106708  0.352694  1
  Ni  Ni57  1  0.218574  0.780441  0.356406  1
  Ni  Ni58  1  0.693905  0.637853  0.315838  1
  Ni  Ni59  1  0.193506  0.350930  0.318463  1
  Ni  Ni60  1  0.716243  0.483830  0.360997  1
  Ni  Ni61  1  0.139488  0.507787  0.366145  1
  Ni  Ni62  1  0.607648  0.380722  0.328504  1
  Ni  Ni63  1  0.112252  0.665629  0.321532  1
  Ni  Ni64  1  0.643620  0.798585  0.364057  1
  Ni  Ni65  1  0.151766  -0.002536  0.315024  1
  Ni  Ni66  1  0.681556  0.135387  0.360535  1
  Ni  Ni67  1  0.174623  0.136975  0.358974  1
  Ni  Ni68  1  0.647967  0.001956  0.317319  1
  Ni  Ni69  1  0.812660  0.178855  0.372996  1
  Ni  Ni70  1  0.337174  0.310505  0.416638  1
  Ni  Ni71  1  1.011349  0.976454  0.417823  1
  Ni  Ni72  1  0.484645  0.840163  0.378788  1
  Ni  Ni73  1  0.978445  0.552201  0.379574  1
  Ni  Ni74  1  0.501629  0.684705  0.424596  1
  Ni  Ni75  1  0.921580  0.713744  0.430224  1
  Ni  Ni76  1  0.400344  0.573899  0.390154  1
  Ni  Ni77  1  0.906577  0.865741  0.383478  1
  Ni  Ni78  1  0.429986  -0.001287  0.427660  1
  Ni  Ni79  1  0.946921  0.205091  0.380283  1
  Ni  Ni80  1  0.469425  0.338980  0.425706  1
  Ni  Ni81  1  0.963288  0.343517  0.423386  1
  Ni  Ni82  1  0.440065  0.201914  0.383595  1
  Ni  Ni83  1  0.075624  0.248574  0.393467  1
  Ni  Ni84  1  0.599189  0.377278  0.437327  1
  Ni  Ni85  1  0.271261  0.041869  0.440236  1
  Ni  Ni86  1  0.749071  0.908310  0.398400  1
  Ni  Ni87  1  0.240692  0.617326  0.402413  1
  Ni  Ni88  1  0.762064  0.753535  0.444730  1
  Ni  Ni89  1  0.182883  0.778079  0.450542  1
  Ni  Ni90  1  0.660692  0.644144  0.410570  1
  Ni  Ni91  1  0.167341  0.933739  0.404454  1
  Ni  Ni92  1  0.693046  0.068318  0.448201  1
  Ni  Ni93  1  0.209110  0.269290  0.402025  1
  Ni  Ni94  1  0.730488  0.409502  0.446042  1
  Ni  Ni95  1  0.224211  0.409679  0.445198  1
  Ni  Ni96  1  0.703063  0.272643  0.403859  1
  Ni  Ni97  1  0.859953  0.447022  0.457281  1
  Ni  Ni98  1  0.379209  0.579252  0.498853  1
  Ni  Ni99  1  0.055532  0.247456  0.502603  1
  Ni  Ni100  1  0.533516  0.107769  0.462109  1
  Ni  Ni101  1  0.023408  0.820886  0.464079  1
  Ni  Ni102  1  0.544343  0.955565  0.508151  1
  Ni  Ni103  1  0.964209  0.985632  0.514448  1
  Ni  Ni104  1  0.443268  0.844881  0.473463  1
  Ni  Ni105  1  0.954477  0.136794  0.468081  1
  Ni  Ni106  1  0.474999  0.272116  0.512044  1
  Ni  Ni107  1  0.991431  0.477274  0.465319  1
  Ni  Ni108  1  0.507727  0.614952  0.510706  1
  Ni  Ni109  1  1.008578  0.615773  0.507968  1
  Ni  Ni110  1  0.488951  0.476532  0.468133  1
  Ni  Ni111  1  0.119340  0.515098  0.477459  1
  Ni  Ni112  1  0.638802  0.645098  0.519431  1
  Ni  Ni113  1  0.315101  0.315575  0.524879  1
  Ni  Ni114  1  0.795256  0.176459  0.482171  1
  Ni  Ni115  1  0.283936  0.888436  0.486068  1
  Ni  Ni116  1  0.804558  0.024964  0.528638  1
  Ni  Ni117  1  0.226090  0.052057  0.535647  1
  Ni  Ni118  1  0.702877  0.915345  0.494573  1
  Ni  Ni119  1  0.213909  0.205102  0.489658  1
  Ni  Ni120  1  0.735511  0.340182  0.532418  1
  Ni  Ni121  1  0.249642  0.546127  0.487577  1
  Ni  Ni122  1  0.767117  0.684026  0.531213  1
  Ni  Ni123  1  0.271697  0.683328  0.530069  1
  Ni  Ni124  1  0.749756  0.546048  0.488591  1
  Ni  Ni125  1  0.898859  0.715309  0.539192  1
  Ni  Ni126  1  0.422769  0.849531  0.581724  1
  Ni  Ni127  1  0.097758  0.517755  0.586748  1
  Ni  Ni128  1  0.576259  0.381663  0.546895  1
  Ni  Ni129  1  0.067633  0.092995  0.548625  1
  Ni  Ni130  1  0.593418  0.225850  0.593100  1
  Ni  Ni131  1  0.014189  0.251264  0.597033  1
  Ni  Ni132  1  0.487906  0.118302  0.557985  1
  Ni  Ni133  1  0.997223  0.407838  0.551590  1
  Ni  Ni134  1  0.519744  0.542360  0.595678  1
  Ni  Ni135  1  0.029242  0.751873  0.550301  1
  Ni  Ni136  1  0.551641  0.890146  0.595849  1
  Ni  Ni137  1  0.057410  0.888563  0.592506  1
  Ni  Ni138  1  0.535307  0.750212  0.552744  1
  Ni  Ni139  1  0.160728  0.782568  0.559739  1
  Ni  Ni140  1  0.685548  0.911983  0.603818  1
  Ni  Ni141  1  0.358937  0.586853  0.608241  1
  Ni  Ni142  1  0.837276  0.447768  0.566010  1
  Ni  Ni143  1  0.330270  0.162765  0.570742  1
  Ni  Ni144  1  0.854385  0.296357  0.612360  1
  Ni  Ni145  1  0.278910  0.318192  0.619387  1
  Ni  Ni146  1  0.748276  0.184595  0.578724  1
  Ni  Ni147  1  0.256582  0.476505  0.573758  1
  Ni  Ni148  1  0.782289  0.609785  0.616920  1
  Ni  Ni149  1  0.289614  0.822192  0.572757  1
  Ni  Ni150  1  0.814875  0.958509  0.616057  1
  Ni  Ni151  1  0.319432  0.958545  0.614870  1
  Ni  Ni152  1  0.795421  0.818544  0.573096  1
  Ni  Ni153  1  0.949841  0.985089  0.623204  1
  Ni  Ni154  1  0.482740  0.123628  0.670505  1
  Ni  Ni155  1  0.154897  0.778603  0.669086  1
  Ni  Ni156  1  0.623603  0.654097  0.631630  1
  Ni  Ni157  1  0.121528  0.360467  0.632824  1
  Ni  Ni158  1  0.657310  0.495376  0.675872  1
  Ni  Ni159  1  0.068541  0.520654  0.679320  1
  Ni  Ni160  1  0.547013  0.379426  0.641482  1
  Ni  Ni161  1  0.045584  0.675345  0.634627  1
  Ni  Ni162  1  0.572678  0.809287  0.679110  1
  Ni  Ni163  1  0.083061  0.025301  0.635855  1
  Ni  Ni164  1  0.620804  0.161370  0.682065  1
  Ni  Ni165  1  0.103149  0.165470  0.681474  1
  Ni  Ni166  1  0.588802  0.022743  0.638733  1
  Ni  Ni167  1  0.213804  0.057411  0.647149  1
  Ni  Ni168  1  0.759104  0.196213  0.693254  1
  Ni  Ni169  1  0.417471  0.858611  0.691762  1
  Ni  Ni170  1  0.890684  0.722913  0.648810  1
  Ni  Ni171  1  0.386165  0.424095  0.654019  1
  Ni  Ni172  1  0.918878  0.569831  0.692310  1
  Ni  Ni173  1  0.339652  0.592320  0.698867  1
  Ni  Ni174  1  0.811949  0.451978  0.663468  1
  Ni  Ni175  1  0.310218  0.741929  0.655626  1
  Ni  Ni176  1  0.850572  0.889543  0.698011  1
  Ni  Ni177  1  0.349757  0.093376  0.657569  1
  Ni  Ni178  1  0.914554  0.222091  0.697755  1
  Ni  Ni179  1  0.367253  0.238358  0.701513  1
  Ni  Ni180  1  0.852359  0.095041  0.658026  1
