# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66761498
_cell_length_b   13.54811719
_cell_length_c   47.30132253
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.73720240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5417.89827728
_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  0.535188  0.039628  0.372813  1
  Zr  Zr2  1  0.398513  0.420209  0.303170  1
  Zr  Zr3  1  0.157964  0.703054  0.427835  1
  Zr  Zr4  1  0.008832  0.078837  0.354916  1
  Zr  Zr5  1  0.861202  0.670824  0.357740  1
  Zr  Zr6  1  0.006910  0.293007  0.427886  1
  Zr  Zr7  1  0.545777  0.833786  0.302523  1
  Zr  Zr8  1  0.692248  0.447041  0.371517  1
  Zr  Zr9  1  0.251495  0.641950  0.337973  1
  Zr  Zr10  1  0.399129  0.264190  0.408801  1
  Zr  Zr11  1  0.145011  0.853207  0.319128  1
  Zr  Zr12  1  0.294831  0.475585  0.390989  1
  Zr  Zr13  1  0.632651  0.819931  0.390470  1
  Zr  Zr14  1  0.480334  0.196672  0.319846  1
  Zr  Zr15  1  0.059770  0.922292  0.409859  1
  Zr  Zr16  1  0.912740  0.298946  0.335369  1
  Zr  Zr17  1  0.830210  0.283888  0.514965  1
  Zr  Zr18  1  0.681507  0.660812  0.443568  1
  Zr  Zr19  1  0.453849  0.949091  0.570569  1
  Zr  Zr20  1  0.305147  0.326015  0.499172  1
  Zr  Zr21  1  0.152381  0.915532  0.500268  1
  Zr  Zr22  1  0.297282  0.536196  0.572206  1
  Zr  Zr23  1  0.838074  0.073707  0.441931  1
  Zr  Zr24  1  0.982976  0.694371  0.513869  1
  Zr  Zr25  1  0.547427  0.887712  0.480899  1
  Zr  Zr26  1  0.693214  0.509269  0.552449  1
  Zr  Zr27  1  0.442143  0.100634  0.461687  1
  Zr  Zr28  1  0.587930  0.722191  0.533238  1
  Zr  Zr29  1  0.928974  0.065947  0.532521  1
  Zr  Zr30  1  0.780467  0.442770  0.461386  1
  Zr  Zr31  1  0.354889  0.167133  0.552751  1
  Zr  Zr32  1  0.206382  0.543957  0.481615  1
  Zr  Zr33  1  0.126525  0.531066  0.659221  1
  Zr  Zr34  1  0.977393  0.906849  0.586302  1
  Zr  Zr35  1  0.736843  0.189694  0.710966  1
  Zr  Zr36  1  0.600169  0.570276  0.641324  1
  Zr  Zr37  1  0.443109  0.162862  0.642620  1
  Zr  Zr38  1  0.589579  0.776117  0.711614  1
  Zr  Zr39  1  0.128446  0.316896  0.586251  1
  Zr  Zr40  1  0.274154  0.939080  0.656397  1
  Zr  Zr41  1  0.840526  0.134318  0.623148  1
  Zr  Zr42  1  0.990346  0.756697  0.695009  1
  Zr  Zr43  1  0.736228  0.345713  0.605336  1
  Zr  Zr44  1  0.883861  0.967953  0.676164  1
  Zr  Zr45  1  0.222617  0.310957  0.678768  1
  Zr  Zr46  1  0.075587  0.687611  0.604278  1
  Zr  Zr47  1  0.655023  0.413231  0.694290  1
  Zr  Zr48  1  0.502705  0.789972  0.623667  1
  Ni  Ni49  1  0.346472  0.871213  0.400026  1
  Ni  Ni50  1  0.197510  0.246555  0.323852  1
  Ni  Ni51  1  0.561296  0.969235  0.427912  1
  Ni  Ni52  1  0.412360  0.343224  0.354569  1
  Ni  Ni53  1  0.132629  0.773021  0.372276  1
  Ni  Ni54  1  0.961845  0.141233  0.301069  1
  Ni  Ni55  1  0.805887  0.997897  0.392417  1
  Ni  Ni56  1  0.663529  0.378420  0.322443  1
  Ni  Ni57  1  0.889770  0.746121  0.407763  1
  Ni  Ni58  1  0.731416  0.115530  0.334369  1
  Ni  Ni59  1  0.474526  0.532623  0.346165  1
  Ni  Ni60  1  0.622393  0.156612  0.416595  1
  Ni  Ni61  1  0.909751  0.957541  0.309369  1
  Ni  Ni62  1  0.074058  0.583048  0.382078  1
  Ni  Ni63  1  0.598223  0.615869  0.390754  1
  Ni  Ni64  1  0.449668  0.996023  0.321128  1
  Ni  Ni65  1  0.402908  0.839052  0.350349  1
  Ni  Ni66  1  0.552237  0.461210  0.422134  1
  Ni  Ni67  1  0.000848  0.656445  0.305645  1
  Ni  Ni68  1  0.140712  0.276993  0.374880  1
  Ni  Ni69  1  0.810547  0.771503  0.312296  1
  Ni  Ni70  1  0.966621  0.400511  0.383046  1
  Ni  Ni71  1  0.580948  0.715341  0.343831  1
  Ni  Ni72  1  0.728984  0.337076  0.414964  1
  Ni  Ni73  1  0.923738  0.871146  0.358709  1
  Ni  Ni74  1  0.070189  0.493879  0.431263  1
  Ni  Ni75  1  0.465266  0.624272  0.299120  1
  Ni  Ni76  1  0.625596  0.247461  0.367034  1
  Ni  Ni77  1  0.693452  0.927679  0.342668  1
  Ni  Ni78  1  0.844033  0.553525  0.412451  1
  Ni  Ni79  1  0.706308  0.569311  0.316595  1
  Ni  Ni80  1  0.851912  0.191643  0.385628  1
  Ni  Ni81  1  0.230656  0.967319  0.361480  1
  Ni  Ni82  1  0.376695  0.590051  0.433800  1
  Ni  Ni83  1  0.161426  0.514849  0.297842  1
  Ni  Ni84  1  0.315013  0.150413  0.364164  1
  Ni  Ni85  1  0.327184  0.052498  0.411755  1
  Ni  Ni86  1  0.183185  0.428312  0.341844  1
  Ni  Ni87  1  0.365368  0.689816  0.388306  1
  Ni  Ni88  1  0.201262  0.061163  0.315438  1
  Ni  Ni89  1  0.096759  0.126548  0.407850  1
  Ni  Ni90  1  0.945307  0.501327  0.336075  1
  Ni  Ni91  1  0.641464  0.116264  0.542460  1
  Ni  Ni92  1  0.493893  0.493639  0.471677  1
  Ni  Ni93  1  0.854659  0.214032  0.570031  1
  Ni  Ni94  1  0.707881  0.591198  0.499139  1
  Ni  Ni95  1  0.427475  0.018705  0.514998  1
  Ni  Ni96  1  0.280697  0.395871  0.444106  1
  Ni  Ni97  1  0.100082  0.242352  0.535926  1
  Ni  Ni98  1  0.951220  0.619420  0.464063  1
  Ni  Ni99  1  0.184137  0.990483  0.550074  1
  Ni  Ni100  1  0.035275  0.367551  0.478210  1
  Ni  Ni101  1  0.765868  0.778147  0.488350  1
  Ni  Ni102  1  0.913436  0.400933  0.560275  1
  Ni  Ni103  1  0.221921  0.208970  0.453862  1
  Ni  Ni104  1  0.369488  0.831756  0.525786  1
  Ni  Ni105  1  0.890865  0.861224  0.533530  1
  Ni  Ni106  1  0.745936  0.239438  0.462112  1
  Ni  Ni107  1  0.699593  0.083960  0.492886  1
  Ni  Ni108  1  0.846114  0.706006  0.564673  1
  Ni  Ni109  1  0.289243  0.903897  0.449463  1
  Ni  Ni110  1  0.435764  0.525943  0.521251  1
  Ni  Ni111  1  0.114408  0.028453  0.455989  1
  Ni  Ni112  1  0.259479  0.650026  0.528196  1
  Ni  Ni113  1  0.875878  0.959877  0.485941  1
  Ni  Ni114  1  0.020948  0.581450  0.558147  1
  Ni  Ni115  1  0.218881  0.117863  0.502808  1
  Ni  Ni116  1  0.365074  0.739376  0.574293  1
  Ni  Ni117  1  0.770282  0.870527  0.439844  1
  Ni  Ni118  1  0.916475  0.492040  0.511329  1
  Ni  Ni119  1  0.991053  0.175841  0.483617  1
  Ni  Ni120  1  0.136838  0.797602  0.555059  1
  Ni  Ni121  1  0.998518  0.812301  0.459077  1
  Ni  Ni122  1  0.144304  0.434062  0.530520  1
  Ni  Ni123  1  0.524756  0.213038  0.504857  1
  Ni  Ni124  1  0.672115  0.835325  0.576144  1
  Ni  Ni125  1  0.463242  0.774578  0.437992  1
  Ni  Ni126  1  0.610600  0.396865  0.509280  1
  Ni  Ni127  1  0.621703  0.296979  0.554799  1
  Ni  Ni128  1  0.474105  0.673813  0.483417  1
  Ni  Ni129  1  0.661252  0.936090  0.530719  1
  Ni  Ni130  1  0.513654  0.312924  0.459337  1
  Ni  Ni131  1  0.389420  0.370465  0.552025  1
  Ni  Ni132  1  0.244491  0.748679  0.480607  1
  Ni  Ni133  1  0.937847  0.363348  0.690285  1
  Ni  Ni134  1  0.788885  0.738690  0.614110  1
  Ni  Ni135  1  0.173512  0.468670  0.713067  1
  Ni  Ni136  1  0.002728  0.836882  0.641861  1
  Ni  Ni137  1  0.722996  0.266679  0.659568  1
  Ni  Ni138  1  0.574061  0.640668  0.586224  1
  Ni  Ni139  1  0.403940  0.494373  0.679768  1
  Ni  Ni140  1  0.245586  0.863782  0.606374  1
  Ni  Ni141  1  0.471827  0.231483  0.691693  1
  Ni  Ni142  1  0.329470  0.612006  0.621720  1
  Ni  Ni143  1  0.061298  0.026855  0.632058  1
  Ni  Ni144  1  0.225606  0.652362  0.704767  1
  Ni  Ni145  1  0.512963  0.453291  0.597542  1
  Ni  Ni146  1  0.660831  0.077281  0.667972  1
  Ni  Ni147  1  0.190049  0.108576  0.678061  1
  Ni  Ni148  1  0.038598  0.483355  0.606286  1
  Ni  Ni149  1  0.994645  0.332910  0.639257  1
  Ni  Ni150  1  0.134509  0.953458  0.708492  1
  Ni  Ni151  1  0.583120  0.148693  0.592003  1
  Ni  Ni152  1  0.732449  0.770852  0.663787  1
  Ni  Ni153  1  0.406373  0.272827  0.599172  1
  Ni  Ni154  1  0.554409  0.894562  0.670306  1
  Ni  Ni155  1  0.168735  0.209392  0.631091  1
  Ni  Ni156  1  0.324809  0.838400  0.701841  1
  Ni  Ni157  1  0.509760  0.362443  0.647103  1
  Ni  Ni158  1  0.670090  0.985631  0.715017  1
  Ni  Ni159  1  0.065168  0.116024  0.582874  1
  Ni  Ni160  1  0.211618  0.738757  0.655427  1
  Ni  Ni161  1  0.283445  0.418260  0.628509  1
  Ni  Ni162  1  0.429048  0.040592  0.697542  1
  Ni  Ni163  1  0.291323  0.056378  0.601686  1
  Ni  Ni164  1  0.441905  0.682224  0.671469  1
  Ni  Ni165  1  0.820344  0.459490  0.649972  1
  Ni  Ni166  1  0.973931  0.095054  0.716294  1
  Ni  Ni167  1  0.758662  0.019852  0.580336  1
  Ni  Ni168  1  0.904700  0.642584  0.652657  1
  Ni  Ni169  1  0.934095  0.548740  0.698699  1
  Ni  Ni170  1  0.769989  0.920087  0.625831  1
  Ni  Ni171  1  0.952171  0.181591  0.672293  1
  Ni  Ni172  1  0.808172  0.557406  0.602382  1
  Ni  Ni173  1  0.685689  0.613880  0.693008  1
  Ni  Ni174  1  0.537134  0.994034  0.623382  1
