# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49935484
_cell_length_b   16.82293456
_cell_length_c   50.65574313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.59458587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5501.963319
_cell_formula_units_Z   6
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  0.084624  0.709537  0.380976  1
  Zr  Zr2  1  0.716532  0.145355  0.310912  1
  Zr  Zr3  1  0.924803  0.479352  0.407659  1
  Zr  Zr4  1  0.544035  0.914071  0.336308  1
  Zr  Zr5  1  0.277832  0.504646  0.338492  1
  Zr  Zr6  1  0.673205  0.064315  0.410402  1
  Zr  Zr7  1  0.950058  0.565989  0.302311  1
  Zr  Zr8  1  0.343369  0.127530  0.377134  1
  Zr  Zr9  1  0.438612  0.854586  0.423831  1
  Zr  Zr10  1  0.063378  0.288419  0.351993  1
  Zr  Zr11  1  0.576445  0.335015  0.364686  1
  Zr  Zr12  1  0.202079  0.772207  0.294869  1
  Zr  Zr13  1  0.579300  0.669497  0.367041  1
  Zr  Zr14  1  0.208581  0.104564  0.295791  1
  Zr  Zr15  1  0.433116  0.521553  0.421823  1
  Zr  Zr16  1  0.055344  0.958615  0.351204  1
  Zr  Zr17  1  0.848529  0.837706  0.522909  1
  Zr  Zr18  1  0.467528  0.273546  0.451770  1
  Zr  Zr19  1  0.686136  0.607794  0.550626  1
  Zr  Zr20  1  0.304818  0.043781  0.479748  1
  Zr  Zr21  1  0.055153  0.628969  0.481834  1
  Zr  Zr22  1  0.433299  0.192754  0.553551  1
  Zr  Zr23  1  0.718918  0.688645  0.449146  1
  Zr  Zr24  1  0.098020  0.252483  0.520647  1
  Zr  Zr25  1  0.199711  0.981402  0.566971  1
  Zr  Zr26  1  0.818584  0.417773  0.495228  1
  Zr  Zr27  1  0.334679  0.463449  0.507282  1
  Zr  Zr28  1  0.953088  0.899860  0.435679  1
  Zr  Zr29  1  0.341378  0.795267  0.509095  1
  Zr  Zr30  1  0.960765  0.231188  0.437709  1
  Zr  Zr31  1  0.193089  0.650061  0.564727  1
  Zr  Zr32  1  0.811788  0.086255  0.493515  1
  Zr  Zr33  1  0.607455  0.966602  0.666364  1
  Zr  Zr34  1  0.228027  0.402126  0.595020  1
  Zr  Zr35  1  0.432247  0.738109  0.690466  1
  Zr  Zr36  1  0.067653  0.171638  0.621676  1
  Zr  Zr37  1  0.808657  0.752024  0.625754  1
  Zr  Zr38  1  0.203195  0.315482  0.700279  1
  Zr  Zr39  1  0.480854  0.817062  0.592174  1
  Zr  Zr40  1  0.872837  0.375366  0.663953  1
  Zr  Zr41  1  0.950313  0.109667  0.707770  1
  Zr  Zr42  1  0.577824  0.546784  0.637675  1
  Zr  Zr43  1  0.089308  0.593703  0.650430  1
  Zr  Zr44  1  0.713639  0.026736  0.578814  1
  Zr  Zr45  1  0.095625  0.922146  0.651522  1
  Zr  Zr46  1  0.719637  0.359819  0.580728  1
  Zr  Zr47  1  0.944858  0.779011  0.706378  1
  Zr  Zr48  1  0.572654  0.211681  0.635587  1
  Ni  Ni49  1  0.815546  0.813216  0.357145  1
  Ni  Ni50  1  0.448415  0.247575  0.285636  1
  Ni  Ni51  1  0.757295  0.777157  0.404885  1
  Ni  Ni52  1  0.384533  0.213252  0.331379  1
  Ni  Ni53  1  0.258064  0.413470  0.382528  1
  Ni  Ni54  1  0.880412  0.851347  0.310443  1
  Ni  Ni55  1  0.783558  0.616897  0.405923  1
  Ni  Ni56  1  0.404563  0.055139  0.334814  1
  Ni  Ni57  1  0.231035  0.573073  0.383312  1
  Ni  Ni58  1  0.869855  0.008251  0.311524  1
  Ni  Ni59  1  0.344764  0.633940  0.292166  1
  Ni  Ni60  1  0.709209  0.193045  0.358702  1
  Ni  Ni61  1  0.928371  0.431879  0.357982  1
  Ni  Ni62  1  0.307771  0.998175  0.429832  1
  Ni  Ni63  1  0.237865  0.662044  0.336363  1
  Ni  Ni64  1  0.624333  0.225628  0.407328  1
  Ni  Ni65  1  0.899938  0.706882  0.326499  1
  Ni  Ni66  1  0.275475  0.270509  0.399048  1
  Ni  Ni67  1  0.364666  0.356648  0.317771  1
  Ni  Ni68  1  0.738868  0.918984  0.388983  1
  Ni  Ni69  1  0.681456  0.457180  0.325791  1
  Ni  Ni70  1  0.049784  0.022789  0.398332  1
  Ni  Ni71  1  0.599384  0.601000  0.322512  1
  Ni  Ni72  1  0.967164  0.166521  0.390401  1
  Ni  Ni73  1  0.594909  0.502753  0.372972  1
  Ni  Ni74  1  0.211864  0.940340  0.303941  1
  Ni  Ni75  1  0.415084  0.689446  0.414469  1
  Ni  Ni76  1  0.041347  0.126704  0.341518  1
  Ni  Ni77  1  0.902091  0.576493  0.354431  1
  Ni  Ni78  1  0.274254  0.141242  0.427228  1
  Ni  Ni79  1  0.409038  0.491104  0.291786  1
  Ni  Ni80  1  0.741856  0.048116  0.360299  1
  Ni  Ni81  1  0.568660  0.379786  0.412989  1
  Ni  Ni82  1  0.189773  0.815269  0.341074  1
  Ni  Ni83  1  0.445982  0.810526  0.375000  1
  Ni  Ni84  1  0.072113  0.247950  0.302976  1
  Ni  Ni85  1  0.720619  0.302342  0.318458  1
  Ni  Ni86  1  0.100215  0.863397  0.390189  1
  Ni  Ni87  1  0.540508  0.757097  0.323351  1
  Ni  Ni88  1  0.914357  0.325354  0.397605  1
  Ni  Ni89  1  0.015052  0.401121  0.309095  1
  Ni  Ni90  1  0.391177  0.964781  0.381325  1
  Ni  Ni91  1  0.576578  0.940794  0.501300  1
  Ni  Ni92  1  0.196231  0.377238  0.429848  1
  Ni  Ni93  1  0.517419  0.904111  0.547945  1
  Ni  Ni94  1  0.136951  0.340409  0.476656  1
  Ni  Ni95  1  0.016462  0.540856  0.525803  1
  Ni  Ni96  1  0.635847  0.977324  0.454654  1
  Ni  Ni97  1  0.545993  0.745889  0.548709  1
  Ni  Ni98  1  0.165373  0.181723  0.477303  1
  Ni  Ni99  1  0.988527  0.699750  0.525191  1
  Ni  Ni100  1  0.607112  0.135479  0.453880  1
  Ni  Ni101  1  0.084720  0.756291  0.430529  1
  Ni  Ni102  1  0.464778  0.319274  0.501733  1
  Ni  Ni103  1  0.688400  0.562004  0.500738  1
  Ni  Ni104  1  0.067584  0.124865  0.572100  1
  Ni  Ni105  1  0.003944  0.790054  0.478354  1
  Ni  Ni106  1  0.383640  0.354005  0.549950  1
  Ni  Ni107  1  0.655701  0.834185  0.469737  1
  Ni  Ni108  1  0.035668  0.397878  0.541212  1
  Ni  Ni109  1  0.117384  0.483361  0.461321  1
  Ni  Ni110  1  0.497179  0.047330  0.532903  1
  Ni  Ni111  1  0.426725  0.585922  0.469185  1
  Ni  Ni112  1  0.806276  0.149737  0.540744  1
  Ni  Ni113  1  0.346603  0.731831  0.461884  1
  Ni  Ni114  1  0.725992  0.295371  0.533330  1
  Ni  Ni115  1  0.357021  0.628354  0.517233  1
  Ni  Ni116  1  0.975793  0.064719  0.446050  1
  Ni  Ni117  1  0.177908  0.816518  0.556669  1
  Ni  Ni118  1  0.796261  0.253022  0.485216  1
  Ni  Ni119  1  0.654245  0.705703  0.498701  1
  Ni  Ni120  1  0.035404  0.269774  0.570187  1
  Ni  Ni121  1  0.117404  0.611521  0.432341  1
  Ni  Ni122  1  0.499250  0.175789  0.503962  1
  Ni  Ni123  1  0.328450  0.507468  0.555789  1
  Ni  Ni124  1  0.948367  0.944008  0.484296  1
  Ni  Ni125  1  0.204707  0.937457  0.518364  1
  Ni  Ni126  1  0.824874  0.373686  0.446733  1
  Ni  Ni127  1  0.479766  0.427478  0.462011  1
  Ni  Ni128  1  0.860552  0.991560  0.533412  1
  Ni  Ni129  1  0.292430  0.890016  0.469219  1
  Ni  Ni130  1  0.673564  0.453777  0.540458  1
  Ni  Ni131  1  0.769203  0.527330  0.452618  1
  Ni  Ni132  1  0.149099  0.091432  0.524257  1
  Ni  Ni133  1  0.336423  0.067485  0.645554  1
  Ni  Ni134  1  0.957219  0.503819  0.572638  1
  Ni  Ni135  1  0.271200  0.030009  0.692244  1
  Ni  Ni136  1  0.894922  0.467884  0.620121  1
  Ni  Ni137  1  0.765347  0.667578  0.672929  1
  Ni  Ni138  1  0.394700  0.104014  0.597803  1
  Ni  Ni139  1  0.281470  0.873631  0.691177  1
  Ni  Ni140  1  0.921745  0.308025  0.619121  1
  Ni  Ni141  1  0.747462  0.826087  0.667549  1
  Ni  Ni142  1  0.368577  0.264492  0.596756  1
  Ni  Ni143  1  0.845952  0.883348  0.572790  1
  Ni  Ni144  1  0.223554  0.450041  0.644832  1
  Ni  Ni145  1  0.444033  0.687732  0.643804  1
  Ni  Ni146  1  0.809220  0.248210  0.710541  1
  Ni  Ni147  1  0.760606  0.916207  0.621277  1
  Ni  Ni148  1  0.137654  0.479692  0.693683  1
  Ni  Ni149  1  0.412971  0.962115  0.613644  1
  Ni  Ni150  1  0.791524  0.522639  0.683445  1
  Ni  Ni151  1  0.878481  0.610464  0.603179  1
  Ni  Ni152  1  0.252242  0.174353  0.676057  1
  Ni  Ni153  1  0.186621  0.714680  0.612092  1
  Ni  Ni154  1  0.552518  0.279877  0.680297  1
  Ni  Ni155  1  0.102151  0.857849  0.604482  1
  Ni  Ni156  1  0.471765  0.423889  0.676710  1
  Ni  Ni157  1  0.108518  0.754436  0.660991  1
  Ni  Ni158  1  0.737363  0.191756  0.588162  1
  Ni  Ni159  1  0.939094  0.941523  0.698701  1
  Ni  Ni160  1  0.557165  0.379028  0.629553  1
  Ni  Ni161  1  0.408845  0.832878  0.642202  1
  Ni  Ni162  1  0.744658  0.391027  0.710703  1
  Ni  Ni163  1  0.878885  0.740155  0.575327  1
  Ni  Ni164  1  0.250510  0.304879  0.648153  1
  Ni  Ni165  1  0.087062  0.633586  0.699377  1
  Ni  Ni166  1  0.706030  0.070809  0.627630  1
  Ni  Ni167  1  0.961932  0.065808  0.661583  1
  Ni  Ni168  1  0.584662  0.501479  0.589450  1
  Ni  Ni169  1  0.239020  0.555955  0.604955  1
  Ni  Ni170  1  0.611417  0.124034  0.679273  1
  Ni  Ni171  1  0.051605  0.017626  0.612469  1
  Ni  Ni172  1  0.431889  0.578364  0.683827  1
  Ni  Ni173  1  0.529154  0.655570  0.595060  1
  Ni  Ni174  1  0.914334  0.218911  0.666284  1
