# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74526235
_cell_length_b   12.81172699
_cell_length_c   50.00027687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.68839967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   4726.97032045
_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  0.116291  0.561812  0.363273  1
  Zr  Zr2  1  0.102821  0.946075  0.280595  1
  Zr  Zr3  1  0.078956  0.916533  0.391932  1
  Zr  Zr4  1  0.093201  0.303034  0.307480  1
  Zr  Zr5  1  0.685145  0.463184  0.308286  1
  Zr  Zr6  1  0.680276  0.083960  0.391086  1
  Zr  Zr7  1  0.522320  0.786115  0.279539  1
  Zr  Zr8  1  0.520432  0.392294  0.363956  1
  Zr  Zr9  1  0.537050  0.809607  0.353569  1
  Zr  Zr10  1  0.550440  0.204711  0.272346  1
  Zr  Zr11  1  0.658619  0.662388  0.401522  1
  Zr  Zr12  1  0.651437  0.047584  0.317289  1
  Zr  Zr13  1  0.990809  0.716398  0.317614  1
  Zr  Zr14  1  0.996224  0.330577  0.399624  1
  Zr  Zr15  1  0.222687  0.534724  0.271748  1
  Zr  Zr16  1  0.207148  0.146333  0.354635  1
  Zr  Zr17  1  0.141433  0.783982  0.529704  1
  Zr  Zr18  1  0.130494  0.172534  0.446301  1
  Zr  Zr19  1  0.090118  0.139064  0.559158  1
  Zr  Zr20  1  0.079775  0.527703  0.475732  1
  Zr  Zr21  1  0.683436  0.695405  0.475213  1
  Zr  Zr22  1  0.691215  0.305938  0.559157  1
  Zr  Zr23  1  0.529580  0.005722  0.446235  1
  Zr  Zr24  1  0.537656  0.616287  0.530241  1
  Zr  Zr25  1  0.551737  0.036745  0.520666  1
  Zr  Zr26  1  0.542441  0.424367  0.437174  1
  Zr  Zr27  1  0.678708  0.887334  0.568278  1
  Zr  Zr28  1  0.669057  0.274878  0.484774  1
  Zr  Zr29  1  0.006994  0.942762  0.483468  1
  Zr  Zr30  1  0.015824  0.553816  0.566949  1
  Zr  Zr31  1  0.205157  0.757866  0.438453  1
  Zr  Zr32  1  0.213920  0.368868  0.521945  1
  Zr  Zr33  1  0.127200  0.008946  0.697475  1
  Zr  Zr34  1  0.141525  0.395198  0.613467  1
  Zr  Zr35  1  0.117917  0.364781  0.724745  1
  Zr  Zr36  1  0.105243  0.750186  0.642184  1
  Zr  Zr37  1  0.700667  0.918998  0.641824  1
  Zr  Zr38  1  0.699060  0.526484  0.725764  1
  Zr  Zr39  1  0.540375  0.227714  0.614328  1
  Zr  Zr40  1  0.536473  0.849951  0.697930  1
  Zr  Zr41  1  0.568350  0.264348  0.688072  1
  Zr  Zr42  1  0.562450  0.649355  0.603886  1
  Zr  Zr43  1  0.667416  0.105368  0.732744  1
  Zr  Zr44  1  0.683269  0.502001  0.651807  1
  Zr  Zr45  1  0.013065  0.165304  0.650834  1
  Zr  Zr46  1  0.995007  0.771258  0.732671  1
  Zr  Zr47  1  0.225009  0.981117  0.605714  1
  Zr  Zr48  1  0.230853  0.595948  0.687951  1
  Ni  Ni49  1  0.097580  0.930880  0.335253  1
  Ni  Ni50  1  0.115723  0.313848  0.251251  1
  Ni  Ni51  1  0.343140  0.872438  0.313770  1
  Ni  Ni52  1  0.345640  0.485975  0.398499  1
  Ni  Ni53  1  0.871490  0.377563  0.272164  1
  Ni  Ni54  1  0.851468  0.989467  0.356657  1
  Ni  Ni55  1  0.178655  0.751376  0.273011  1
  Ni  Ni56  1  0.185759  0.371472  0.355699  1
  Ni  Ni57  1  0.025475  0.493322  0.314720  1
  Ni  Ni58  1  0.015052  0.109995  0.398804  1
  Ni  Ni59  1  0.461908  0.590608  0.356469  1
  Ni  Ni60  1  0.453897  0.983001  0.271717  1
  Ni  Ni61  1  0.726273  0.883514  0.398430  1
  Ni  Ni62  1  0.744302  0.268760  0.314071  1
  Ni  Ni63  1  0.785597  0.586863  0.354602  1
  Ni  Ni64  1  0.785436  0.976554  0.271439  1
  Ni  Ni65  1  0.792322  0.873536  0.313996  1
  Ni  Ni66  1  0.797204  0.486749  0.397287  1
  Ni  Ni67  1  0.409343  0.377650  0.273883  1
  Ni  Ni68  1  0.401331  0.988134  0.357388  1
  Ni  Ni69  1  0.577410  0.584769  0.273170  1
  Ni  Ni70  1  0.564624  0.195252  0.353538  1
  Ni  Ni71  1  0.633421  0.667469  0.316709  1
  Ni  Ni72  1  0.642403  0.281190  0.400409  1
  Ni  Ni73  1  0.911664  0.583689  0.273755  1
  Ni  Ni74  1  0.897030  0.195483  0.352495  1
  Ni  Ni75  1  0.304110  0.666124  0.316385  1
  Ni  Ni76  1  0.308567  0.279969  0.401955  1
  Ni  Ni77  1  0.834998  0.759648  0.273352  1
  Ni  Ni78  1  0.841009  0.377327  0.354325  1
  Ni  Ni79  1  0.366458  0.485995  0.315769  1
  Ni  Ni80  1  0.359542  0.099405  0.399887  1
  Ni  Ni81  1  0.998154  0.690970  0.394802  1
  Ni  Ni82  1  0.992897  0.078010  0.312391  1
  Ni  Ni83  1  0.201468  0.785852  0.360512  1
  Ni  Ni84  1  0.203775  0.168028  0.277537  1
  Ni  Ni85  1  0.347035  0.692409  0.396825  1
  Ni  Ni86  1  0.342919  0.077342  0.312072  1
  Ni  Ni87  1  0.852218  0.784271  0.359370  1
  Ni  Ni88  1  0.870458  0.170422  0.274694  1
  Ni  Ni89  1  0.402571  0.889392  0.400457  1
  Ni  Ni90  1  0.414744  0.274527  0.316250  1
  Ni  Ni91  1  0.110373  0.155798  0.502719  1
  Ni  Ni92  1  0.100212  0.543789  0.419488  1
  Ni  Ni93  1  0.356220  0.097923  0.481655  1
  Ni  Ni94  1  0.365848  0.709802  0.565157  1
  Ni  Ni95  1  0.855330  0.601929  0.440308  1
  Ni  Ni96  1  0.864587  0.213669  0.523780  1
  Ni  Ni97  1  0.192961  0.978677  0.439345  1
  Ni  Ni98  1  0.202115  0.589347  0.522818  1
  Ni  Ni99  1  0.019039  0.722352  0.482613  1
  Ni  Ni100  1  0.027865  0.332997  0.566062  1
  Ni  Ni101  1  0.492244  0.816439  0.523341  1
  Ni  Ni102  1  0.480913  0.204365  0.439939  1
  Ni  Ni103  1  0.739828  0.107184  0.565518  1
  Ni  Ni104  1  0.728891  0.495232  0.482091  1
  Ni  Ni105  1  0.817939  0.810431  0.521197  1
  Ni  Ni106  1  0.807294  0.198808  0.437671  1
  Ni  Ni107  1  0.805561  0.099590  0.480709  1
  Ni  Ni108  1  0.816332  0.711654  0.564039  1
  Ni  Ni109  1  0.404944  0.600057  0.441385  1
  Ni  Ni110  1  0.415152  0.212030  0.524714  1
  Ni  Ni111  1  0.560707  0.805439  0.437892  1
  Ni  Ni112  1  0.568334  0.416820  0.521688  1
  Ni  Ni113  1  0.652573  0.894837  0.483723  1
  Ni  Ni114  1  0.660240  0.506263  0.567513  1
  Ni  Ni115  1  0.894277  0.808319  0.436430  1
  Ni  Ni116  1  0.901376  0.419472  0.520357  1
  Ni  Ni117  1  0.319610  0.892176  0.485060  1
  Ni  Ni118  1  0.326597  0.503359  0.568986  1
  Ni  Ni119  1  0.848685  0.989230  0.438298  1
  Ni  Ni120  1  0.857232  0.600392  0.522005  1
  Ni  Ni121  1  0.363850  0.711297  0.483415  1
  Ni  Ni122  1  0.372115  0.322412  0.567113  1
  Ni  Ni123  1  0.018442  0.915330  0.561773  1
  Ni  Ni124  1  0.007909  0.302939  0.478419  1
  Ni  Ni125  1  0.212878  0.008701  0.527030  1
  Ni  Ni126  1  0.202598  0.396273  0.443661  1
  Ni  Ni127  1  0.366337  0.916599  0.563348  1
  Ni  Ni128  1  0.356836  0.304712  0.479932  1
  Ni  Ni129  1  0.863946  0.006904  0.525485  1
  Ni  Ni130  1  0.854918  0.395044  0.442109  1
  Ni  Ni131  1  0.413735  0.112859  0.567740  1
  Ni  Ni132  1  0.403205  0.501263  0.484241  1
  Ni  Ni133  1  0.123074  0.381023  0.670154  1
  Ni  Ni134  1  0.121180  0.767948  0.585975  1
  Ni  Ni135  1  0.368959  0.322491  0.648701  1
  Ni  Ni136  1  0.339068  0.933868  0.733184  1
  Ni  Ni137  1  0.875460  0.825749  0.606943  1
  Ni  Ni138  1  0.877362  0.438990  0.691608  1
  Ni  Ni139  1  0.205402  0.201693  0.606632  1
  Ni  Ni140  1  0.196076  0.819114  0.690478  1
  Ni  Ni141  1  0.036025  0.940659  0.649618  1
  Ni  Ni142  1  0.041996  0.558333  0.732459  1
  Ni  Ni143  1  0.473710  0.042670  0.691327  1
  Ni  Ni144  1  0.494337  0.428265  0.606954  1
  Ni  Ni145  1  0.766894  0.328485  0.733602  1
  Ni  Ni146  1  0.758602  0.720632  0.648887  1
  Ni  Ni147  1  0.805487  0.036518  0.689275  1
  Ni  Ni148  1  0.817970  0.422296  0.604951  1
  Ni  Ni149  1  0.819190  0.323564  0.648000  1
  Ni  Ni150  1  0.826240  0.935283  0.731836  1
  Ni  Ni151  1  0.424426  0.824997  0.608224  1
  Ni  Ni152  1  0.428358  0.438477  0.691355  1
  Ni  Ni153  1  0.579030  0.030547  0.605171  1
  Ni  Ni154  1  0.588849  0.645455  0.689003  1
  Ni  Ni155  1  0.656019  0.116501  0.652119  1
  Ni  Ni156  1  0.643224  0.728088  0.732631  1
  Ni  Ni157  1  0.912142  0.031558  0.603604  1
  Ni  Ni158  1  0.917152  0.644989  0.688482  1
  Ni  Ni159  1  0.323543  0.116471  0.652844  1
  Ni  Ni160  1  0.308180  0.727820  0.731801  1
  Ni  Ni161  1  0.861216  0.212410  0.605512  1
  Ni  Ni162  1  0.854326  0.826256  0.689386  1
  Ni  Ni163  1  0.380449  0.934656  0.651056  1
  Ni  Ni164  1  0.385923  0.551766  0.732161  1
  Ni  Ni165  1  0.015837  0.144583  0.727458  1
  Ni  Ni166  1  0.019171  0.526097  0.644965  1
  Ni  Ni167  1  0.227863  0.233689  0.692887  1
  Ni  Ni168  1  0.223018  0.620822  0.610628  1
  Ni  Ni169  1  0.347557  0.141373  0.730620  1
  Ni  Ni170  1  0.368227  0.527805  0.645981  1
  Ni  Ni171  1  0.877079  0.233955  0.693247  1
  Ni  Ni172  1  0.874251  0.619285  0.608579  1
  Ni  Ni173  1  0.435659  0.335628  0.733916  1
  Ni  Ni174  1  0.436108  0.725586  0.651118  1
