# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11187833
_cell_length_b   8.83967172
_cell_length_c   47.73214977
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.13411017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4320.06999245
_cell_formula_units_Z   5
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  0.409561  0.904405  0.312639  1
  Zr  Zr2  1  0.509945  0.413732  0.316490  1
  Zr  Zr3  1  0.822315  0.556821  0.291173  1
  Zr  Zr4  1  0.087156  0.762878  0.334421  1
  Zr  Zr5  1  0.896528  0.071260  0.288176  1
  Zr  Zr6  1  0.029587  0.230145  0.342156  1
  Zr  Zr7  1  0.670104  0.908604  0.347265  1
  Zr  Zr8  1  0.238738  0.415387  0.283677  1
  Zr  Zr9  1  0.815789  0.024824  0.403626  1
  Zr  Zr10  1  0.912121  0.530164  0.407725  1
  Zr  Zr11  1  0.237966  0.673220  0.384809  1
  Zr  Zr12  1  0.489361  0.883556  0.426348  1
  Zr  Zr13  1  0.293092  0.204114  0.377206  1
  Zr  Zr14  1  0.434546  0.355944  0.433595  1
  Zr  Zr15  1  0.076095  0.022960  0.438010  1
  Zr  Zr16  1  0.651168  0.531932  0.373445  1
  Zr  Zr17  1  0.221853  0.147346  0.494323  1
  Zr  Zr18  1  0.318650  0.653808  0.499008  1
  Zr  Zr19  1  0.643678  0.796493  0.475028  1
  Zr  Zr20  1  0.896848  0.004583  0.518308  1
  Zr  Zr21  1  0.697743  0.324177  0.467995  1
  Zr  Zr22  1  0.842794  0.476994  0.525344  1
  Zr  Zr23  1  0.482892  0.145328  0.528936  1
  Zr  Zr24  1  0.057782  0.655807  0.464388  1
  Zr  Zr25  1  0.628372  0.270811  0.585650  1
  Zr  Zr26  1  0.724756  0.776408  0.589718  1
  Zr  Zr27  1  0.050919  0.917632  0.566985  1
  Zr  Zr28  1  0.302428  0.127790  0.608249  1
  Zr  Zr29  1  0.106052  0.445107  0.559752  1
  Zr  Zr30  1  0.247655  0.596459  0.616370  1
  Zr  Zr31  1  0.889061  0.269663  0.619761  1
  Zr  Zr32  1  0.464371  0.778150  0.555350  1
  Zr  Zr33  1  0.030618  0.386576  0.676758  1
  Zr  Zr34  1  0.130410  0.895281  0.680036  1
  Zr  Zr35  1  0.452219  0.039003  0.658968  1
  Zr  Zr36  1  0.719667  0.241798  0.702179  1
  Zr  Zr37  1  0.510590  0.570151  0.650984  1
  Zr  Zr38  1  0.642791  0.728103  0.705027  1
  Zr  Zr39  1  0.301686  0.383536  0.709527  1
  Zr  Zr40  1  0.870496  0.891742  0.646185  1
  Ni  Ni41  1  0.265755  0.108835  0.269939  1
  Ni  Ni42  1  0.148343  0.983286  0.302103  1
  Ni  Ni43  1  0.780235  0.338008  0.325428  1
  Ni  Ni44  1  0.293439  0.678578  0.303180  1
  Ni  Ni45  1  0.624672  0.648444  0.324667  1
  Ni  Ni46  1  0.235143  0.952612  0.351804  1
  Ni  Ni47  1  0.694047  0.355272  0.278098  1
  Ni  Ni48  1  0.639505  0.872257  0.290714  1
  Ni  Ni49  1  0.878742  0.040486  0.342904  1
  Ni  Ni50  1  0.037311  0.275838  0.286940  1
  Ni  Ni51  1  0.049568  0.501484  0.317697  1
  Ni  Ni52  1  0.859461  0.805205  0.313800  1
  Ni  Ni53  1  0.855451  0.562826  0.346990  1
  Ni  Ni54  1  0.050302  0.729603  0.281755  1
  Ni  Ni55  1  0.543779  0.644934  0.279550  1
  Ni  Ni56  1  0.405151  0.664688  0.348960  1
  Ni  Ni57  1  0.460632  0.154251  0.290044  1
  Ni  Ni58  1  0.464741  0.166052  0.339600  1
  Ni  Ni59  1  0.244396  0.205403  0.319288  1
  Ni  Ni60  1  0.680344  0.116302  0.309601  1
  Ni  Ni61  1  0.278572  0.453861  0.337552  1
  Ni  Ni62  1  0.663327  0.219347  0.359732  1
  Ni  Ni63  1  0.543976  0.102349  0.393690  1
  Ni  Ni64  1  0.182401  0.455578  0.417688  1
  Ni  Ni65  1  0.698568  0.796949  0.398884  1
  Ni  Ni66  1  0.029142  0.757701  0.412403  1
  Ni  Ni67  1  0.641931  0.071544  0.442204  1
  Ni  Ni68  1  0.087183  0.486442  0.368867  1
  Ni  Ni69  1  0.044063  0.987057  0.381392  1
  Ni  Ni70  1  0.282788  0.163912  0.433809  1
  Ni  Ni71  1  0.445382  0.394731  0.376681  1
  Ni  Ni72  1  0.459946  0.625969  0.407404  1
  Ni  Ni73  1  0.267620  0.931782  0.403976  1
  Ni  Ni74  1  0.262071  0.683252  0.438871  1
  Ni  Ni75  1  0.465396  0.870657  0.371685  1
  Ni  Ni76  1  0.911780  0.769687  0.369409  1
  Ni  Ni77  1  0.818857  0.785415  0.441878  1
  Ni  Ni78  1  0.859045  0.272310  0.380403  1
  Ni  Ni79  1  0.870473  0.282664  0.431147  1
  Ni  Ni80  1  0.647223  0.323360  0.410346  1
  Ni  Ni81  1  0.081277  0.232194  0.400551  1
  Ni  Ni82  1  0.683809  0.567077  0.429881  1
  Ni  Ni83  1  0.066327  0.339540  0.451193  1
  Ni  Ni84  1  0.949560  0.223608  0.485035  1
  Ni  Ni85  1  0.590949  0.577555  0.508281  1
  Ni  Ni86  1  0.104710  0.920134  0.490194  1
  Ni  Ni87  1  0.435766  0.881012  0.503186  1
  Ni  Ni88  1  0.048921  0.192904  0.533481  1
  Ni  Ni89  1  0.491514  0.608136  0.459839  1
  Ni  Ni90  1  0.450501  0.111880  0.472190  1
  Ni  Ni91  1  0.690263  0.285501  0.524731  1
  Ni  Ni92  1  0.850232  0.515628  0.468591  1
  Ni  Ni93  1  0.866194  0.747747  0.498618  1
  Ni  Ni94  1  0.674411  0.053298  0.494717  1
  Ni  Ni95  1  0.668926  0.805531  0.529676  1
  Ni  Ni96  1  0.871619  0.995609  0.463679  1
  Ni  Ni97  1  0.315578  0.892983  0.460287  1
  Ni  Ni98  1  0.224865  0.907938  0.533106  1
  Ni  Ni99  1  0.263575  0.395361  0.471279  1
  Ni  Ni100  1  0.276966  0.405773  0.522041  1
  Ni  Ni101  1  0.053693  0.445665  0.501663  1
  Ni  Ni102  1  0.486840  0.355437  0.491669  1
  Ni  Ni103  1  0.090071  0.689134  0.521140  1
  Ni  Ni104  1  0.474105  0.461755  0.542117  1
  Ni  Ni105  1  0.358257  0.345519  0.575592  1
  Ni  Ni106  1  0.996760  0.698580  0.599676  1
  Ni  Ni107  1  0.511622  0.043347  0.580898  1
  Ni  Ni108  1  0.841891  0.004091  0.594531  1
  Ni  Ni109  1  0.453372  0.313824  0.624439  1
  Ni  Ni110  1  0.898743  0.729552  0.551157  1
  Ni  Ni111  1  0.856553  0.234086  0.563418  1
  Ni  Ni112  1  0.095062  0.406082  0.616687  1
  Ni  Ni113  1  0.257481  0.637153  0.559603  1
  Ni  Ni114  1  0.272705  0.868959  0.589386  1
  Ni  Ni115  1  0.080447  0.175100  0.585851  1
  Ni  Ni116  1  0.074889  0.930314  0.621646  1
  Ni  Ni117  1  0.278445  0.118030  0.554315  1
  Ni  Ni118  1  0.721889  0.015679  0.551471  1
  Ni  Ni119  1  0.628612  0.030813  0.624020  1
  Ni  Ni120  1  0.669999  0.518401  0.562169  1
  Ni  Ni121  1  0.681317  0.529092  0.612877  1
  Ni  Ni122  1  0.459068  0.568715  0.592745  1
  Ni  Ni123  1  0.893283  0.478084  0.582966  1
  Ni  Ni124  1  0.496379  0.814022  0.611929  1
  Ni  Ni125  1  0.876916  0.581930  0.633634  1
  Ni  Ni126  1  0.759917  0.462410  0.667845  1
  Ni  Ni127  1  0.392037  0.817637  0.690976  1
  Ni  Ni128  1  0.916417  0.151606  0.668500  1
  Ni  Ni129  1  0.245646  0.121548  0.690336  1
  Ni  Ni130  1  0.846505  0.443988  0.715135  1
  Ni  Ni131  1  0.305497  0.847934  0.641486  1
  Ni  Ni132  1  0.261881  0.347116  0.655848  1
  Ni  Ni133  1  0.505510  0.522992  0.706018  1
  Ni  Ni134  1  0.661195  0.760409  0.650479  1
  Ni  Ni135  1  0.680774  0.994758  0.679643  1
  Ni  Ni136  1  0.491247  0.298765  0.675660  1
  Ni  Ni137  1  0.489086  0.069599  0.711552  1
  Ni  Ni138  1  0.685147  0.237528  0.646390  1
  Ni  Ni139  1  0.135864  0.135383  0.644411  1
  Ni  Ni140  1  0.999973  0.154621  0.713319  1
  Ni  Ni141  1  0.076017  0.634504  0.653779  1
  Ni  Ni142  1  0.079331  0.645791  0.703188  1
  Ni  Ni143  1  0.860046  0.684193  0.683846  1
  Ni  Ni144  1  0.296375  0.595682  0.674518  1
  Ni  Ni145  1  0.902167  0.928419  0.702518  1
