# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.14295542
_cell_length_b   10.15838637
_cell_length_c   46.57744730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.60208848
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5025.45701753
_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  0.336938  0.289080  0.328552  1
  Zr  Zr2  1  0.674162  0.662081  0.296736  1
  Zr  Zr3  1  0.567127  0.993928  0.339942  1
  Zr  Zr4  1  0.443188  0.955859  0.283675  1
  Zr  Zr5  1  0.891284  0.362163  0.292861  1
  Zr  Zr6  1  0.126423  0.583252  0.330414  1
  Zr  Zr7  1  0.108856  0.080066  0.284691  1
  Zr  Zr8  1  0.905321  0.873910  0.335938  1
  Zr  Zr9  1  0.856958  0.565792  0.403096  1
  Zr  Zr10  1  0.193187  0.941475  0.370245  1
  Zr  Zr11  1  0.080365  0.271292  0.416472  1
  Zr  Zr12  1  0.971512  0.238242  0.357048  1
  Zr  Zr13  1  0.407207  0.647670  0.366794  1
  Zr  Zr14  1  0.643189  0.860602  0.407101  1
  Zr  Zr15  1  0.626709  0.355445  0.361250  1
  Zr  Zr16  1  0.422140  0.152512  0.413094  1
  Zr  Zr17  1  0.371981  0.839517  0.479672  1
  Zr  Zr18  1  0.710087  0.216794  0.447084  1
  Zr  Zr19  1  0.594730  0.544987  0.493364  1
  Zr  Zr20  1  0.486680  0.511808  0.433749  1
  Zr  Zr21  1  0.924033  0.920936  0.443161  1
  Zr  Zr22  1  0.158316  0.134912  0.483350  1
  Zr  Zr23  1  0.144242  0.629373  0.437102  1
  Zr  Zr24  1  0.937835  0.427224  0.489777  1
  Zr  Zr25  1  0.886981  0.112632  0.555977  1
  Zr  Zr26  1  0.225303  0.490566  0.523501  1
  Zr  Zr27  1  0.108548  0.817782  0.569814  1
  Zr  Zr28  1  1.002571  0.784619  0.509890  1
  Zr  Zr29  1  0.439167  0.194776  0.519728  1
  Zr  Zr30  1  0.672608  0.408474  0.559990  1
  Zr  Zr31  1  0.659739  0.902283  0.513411  1
  Zr  Zr32  1  0.452051  0.700868  0.566306  1
  Zr  Zr33  1  0.402382  0.386146  0.632809  1
  Zr  Zr34  1  0.738935  0.763289  0.600302  1
  Zr  Zr35  1  0.619891  0.089067  0.646923  1
  Zr  Zr36  1  0.518378  0.057938  0.586471  1
  Zr  Zr37  1  0.953603  0.468485  0.596037  1
  Zr  Zr38  1  0.187800  0.681174  0.636553  1
  Zr  Zr39  1  0.174895  0.175771  0.589710  1
  Zr  Zr40  1  0.968014  0.973134  0.642512  1
  Zr  Zr41  1  0.921255  0.664726  0.706419  1
  Zr  Zr42  1  0.257252  0.038508  0.674912  1
  Zr  Zr43  1  0.146058  0.370364  0.720060  1
  Zr  Zr44  1  0.029419  0.332399  0.662885  1
  Zr  Zr45  1  0.468021  0.744925  0.672528  1
  Zr  Zr46  1  0.701522  0.965452  0.710502  1
  Zr  Zr47  1  0.689509  0.451720  0.667112  1
  Zr  Zr48  1  0.483649  0.249843  0.718212  1
  Ni  Ni49  1  0.268429  0.330737  0.272908  1
  Ni  Ni50  1  0.107769  0.318493  0.311270  1
  Ni  Ni51  1  0.917622  0.633377  0.306152  1
  Ni  Ni52  1  0.107214  0.095780  0.336733  1
  Ni  Ni53  1  0.901069  0.864797  0.282904  1
  Ni  Ni54  1  0.688003  0.138154  0.285946  1
  Ni  Ni55  1  0.320638  0.823232  0.336557  1
  Ni  Ni56  1  0.528547  0.211238  0.310998  1
  Ni  Ni57  1  0.887000  0.453160  0.346508  1
  Ni  Ni58  1  0.130299  0.496258  0.275101  1
  Ni  Ni59  1  0.264966  0.728632  0.288081  1
  Ni  Ni60  1  0.746130  0.217355  0.335628  1
  Ni  Ni61  1  0.113374  0.841264  0.313331  1
  Ni  Ni62  1  0.895179  0.107334  0.308380  1
  Ni  Ni63  1  0.302315  0.035486  0.315728  1
  Ni  Ni64  1  0.701474  0.916822  0.304035  1
  Ni  Ni65  1  0.494450  0.427813  0.288097  1
  Ni  Ni66  1  0.529836  0.524218  0.336127  1
  Ni  Ni67  1  0.321964  0.521476  0.309982  1
  Ni  Ni68  1  0.702440  0.427836  0.309234  1
  Ni  Ni69  1  0.480832  0.739163  0.311120  1
  Ni  Ni70  1  0.768931  0.614462  0.347391  1
  Ni  Ni71  1  0.621432  0.598498  0.388498  1
  Ni  Ni72  1  0.430821  0.909226  0.385400  1
  Ni  Ni73  1  0.627943  0.375393  0.414395  1
  Ni  Ni74  1  0.423822  0.128526  0.359698  1
  Ni  Ni75  1  0.212100  0.413463  0.360263  1
  Ni  Ni76  1  0.838556  0.095281  0.413370  1
  Ni  Ni77  1  0.049712  0.489652  0.386669  1
  Ni  Ni78  1  0.402796  0.727622  0.423351  1
  Ni  Ni79  1  0.648699  0.778259  0.350133  1
  Ni  Ni80  1  0.786874  0.015546  0.362416  1
  Ni  Ni81  1  0.264857  0.491997  0.411511  1
  Ni  Ni82  1  0.631671  0.117577  0.391435  1
  Ni  Ni83  1  0.417377  0.390367  0.383291  1
  Ni  Ni84  1  0.823701  0.307010  0.392064  1
  Ni  Ni85  1  0.225602  0.199501  0.382024  1
  Ni  Ni86  1  1.005050  0.706304  0.361111  1
  Ni  Ni87  1  0.046003  0.800189  0.411588  1
  Ni  Ni88  1  0.835180  0.799406  0.387957  1
  Ni  Ni89  1  0.215336  0.706891  0.385294  1
  Ni  Ni90  1  0.999871  0.017671  0.387031  1
  Ni  Ni91  1  0.282919  0.890983  0.424939  1
  Ni  Ni92  1  0.136009  0.872120  0.464805  1
  Ni  Ni93  1  0.946246  0.184119  0.461638  1
  Ni  Ni94  1  0.144355  0.648266  0.490344  1
  Ni  Ni95  1  0.938773  0.408662  0.436636  1
  Ni  Ni96  1  0.728480  0.686149  0.436739  1
  Ni  Ni97  1  0.353458  0.369301  0.489956  1
  Ni  Ni98  1  0.566092  0.763097  0.463061  1
  Ni  Ni99  1  0.918494  0.001097  0.499640  1
  Ni  Ni100  1  0.163325  0.054442  0.426758  1
  Ni  Ni101  1  0.301122  0.290566  0.438970  1
  Ni  Ni102  1  0.781661  0.764837  0.487382  1
  Ni  Ni103  1  0.147078  0.392354  0.467570  1
  Ni  Ni104  1  0.935533  0.663446  0.458876  1
  Ni  Ni105  1  0.339544  0.580266  0.468071  1
  Ni  Ni106  1  0.742642  0.476394  0.458966  1
  Ni  Ni107  1  0.520369  0.980900  0.438479  1
  Ni  Ni108  1  0.561668  0.074727  0.488193  1
  Ni  Ni109  1  0.350240  0.074589  0.464708  1
  Ni  Ni110  1  0.731977  0.981306  0.461835  1
  Ni  Ni111  1  0.515775  0.292823  0.463812  1
  Ni  Ni112  1  0.798785  0.164836  0.501478  1
  Ni  Ni113  1  0.651441  0.145308  0.541383  1
  Ni  Ni114  1  0.460773  0.457668  0.538375  1
  Ni  Ni115  1  0.659386  0.920157  0.566553  1
  Ni  Ni116  1  0.452937  0.682282  0.513051  1
  Ni  Ni117  1  0.243681  0.960363  0.513142  1
  Ni  Ni118  1  0.867531  0.642402  0.566568  1
  Ni  Ni119  1  0.081203  0.036229  0.539379  1
  Ni  Ni120  1  0.433437  0.274362  0.576324  1
  Ni  Ni121  1  0.678919  0.328378  0.503497  1
  Ni  Ni122  1  0.815601  0.564761  0.515828  1
  Ni  Ni123  1  0.296610  0.037909  0.563984  1
  Ni  Ni124  1  0.661133  0.666291  0.544421  1
  Ni  Ni125  1  0.450846  0.937209  0.535397  1
  Ni  Ni126  1  0.854859  0.852769  0.544389  1
  Ni  Ni127  1  0.257146  0.750536  0.535441  1
  Ni  Ni128  1  0.035803  0.254683  0.514888  1
  Ni  Ni129  1  0.076694  0.348660  0.564548  1
  Ni  Ni130  1  0.865202  0.348250  0.541292  1
  Ni  Ni131  1  0.246966  0.254711  0.538341  1
  Ni  Ni132  1  0.031000  0.566814  0.540183  1
  Ni  Ni133  1  0.313779  0.438172  0.578154  1
  Ni  Ni134  1  0.165687  0.418642  0.617673  1
  Ni  Ni135  1  0.973362  0.730370  0.614896  1
  Ni  Ni136  1  0.172749  0.195791  0.642960  1
  Ni  Ni137  1  0.967240  0.955544  0.589296  1
  Ni  Ni138  1  0.758531  0.234457  0.589641  1
  Ni  Ni139  1  0.381839  0.914781  0.643592  1
  Ni  Ni140  1  0.595781  0.309858  0.616170  1
  Ni  Ni141  1  0.946319  0.548894  0.652940  1
  Ni  Ni142  1  0.193882  0.601873  0.579944  1
  Ni  Ni143  1  0.330793  0.838257  0.592222  1
  Ni  Ni144  1  0.808976  0.311049  0.640481  1
  Ni  Ni145  1  0.176616  0.938884  0.620428  1
  Ni  Ni146  1  0.965832  0.210516  0.611327  1
  Ni  Ni147  1  0.370509  0.126748  0.620884  1
  Ni  Ni148  1  0.771119  0.023880  0.611649  1
  Ni  Ni149  1  0.550306  0.528674  0.591578  1
  Ni  Ni150  1  0.590398  0.621802  0.642081  1
  Ni  Ni151  1  0.380435  0.621651  0.617883  1
  Ni  Ni152  1  0.760480  0.528568  0.615245  1
  Ni  Ni153  1  0.545820  0.839817  0.616611  1
  Ni  Ni154  1  0.825941  0.712652  0.656065  1
  Ni  Ni155  1  0.676128  0.694150  0.697249  1
  Ni  Ni156  1  0.483383  0.007115  0.693394  1
  Ni  Ni157  1  0.693454  0.461775  0.720139  1
  Ni  Ni158  1  0.484842  0.230984  0.666604  1
  Ni  Ni159  1  0.274156  0.505711  0.666322  1
  Ni  Ni160  1  0.904569  0.187853  0.717490  1
  Ni  Ni161  1  0.112941  0.587045  0.691978  1
  Ni  Ni162  1  0.474128  0.815565  0.727367  1
  Ni  Ni163  1  0.707933  0.874660  0.656833  1
  Ni  Ni164  1  0.846712  0.110959  0.667937  1
  Ni  Ni165  1  0.327110  0.593120  0.714870  1
  Ni  Ni166  1  0.695875  0.218973  0.695562  1
  Ni  Ni167  1  0.481722  0.486634  0.689568  1
  Ni  Ni168  1  0.892227  0.407990  0.698555  1
  Ni  Ni169  1  0.289610  0.294788  0.687137  1
  Ni  Ni170  1  0.065265  0.803189  0.667159  1
  Ni  Ni171  1  0.098746  0.900861  0.714453  1
  Ni  Ni172  1  0.891188  0.899707  0.694273  1
  Ni  Ni173  1  0.272570  0.804312  0.693823  1
  Ni  Ni174  1  0.065199  0.117241  0.692071  1
