# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56826789
_cell_length_b   16.59971827
_cell_length_c   50.18161530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.16198748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5428.68195014
_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  0.099179  0.066386  0.343608  1
  Zr  Zr2  1  0.712005  0.502138  0.414044  1
  Zr  Zr3  1  0.666218  0.865030  0.306204  1
  Zr  Zr4  1  0.266397  0.294918  0.374335  1
  Zr  Zr5  1  0.517125  0.715522  0.376519  1
  Zr  Zr6  1  0.930309  0.283549  0.305409  1
  Zr  Zr7  1  0.459691  0.079229  0.411698  1
  Zr  Zr8  1  0.852959  0.644033  0.340447  1
  Zr  Zr9  1  0.738914  0.919772  0.387915  1
  Zr  Zr10  1  0.132864  0.485053  0.318259  1
  Zr  Zr11  1  0.237176  0.876670  0.398661  1
  Zr  Zr12  1  0.630178  0.437635  0.326757  1
  Zr  Zr13  1  0.601567  0.118479  0.327891  1
  Zr  Zr14  1  0.219392  0.548218  0.401486  1
  Zr  Zr15  1  0.147279  0.814503  0.314577  1
  Zr  Zr16  1  0.758937  0.249635  0.388051  1
  Zr  Zr17  1  0.321283  0.936728  0.485362  1
  Zr  Zr18  1  0.928751  0.371794  0.557435  1
  Zr  Zr19  1  0.876287  0.730519  0.445300  1
  Zr  Zr20  1  0.483755  0.165585  0.517374  1
  Zr  Zr21  1  0.735426  0.584934  0.519312  1
  Zr  Zr22  1  0.127031  0.149495  0.447933  1
  Zr  Zr23  1  0.678007  0.952818  0.554803  1
  Zr  Zr24  1  0.069612  0.517379  0.483423  1
  Zr  Zr25  1  0.959890  0.790351  0.531482  1
  Zr  Zr26  1  0.350088  0.355028  0.460004  1
  Zr  Zr27  1  0.454950  0.747285  0.542731  1
  Zr  Zr28  1  0.845148  0.311962  0.471253  1
  Zr  Zr29  1  0.828305  0.983141  0.472727  1
  Zr  Zr30  1  0.436991  0.418090  0.544518  1
  Zr  Zr31  1  0.368047  0.684223  0.458218  1
  Zr  Zr32  1  0.976733  0.119172  0.530008  1
  Zr  Zr33  1  0.538641  0.807395  0.628400  1
  Zr  Zr34  1  0.138820  0.237283  0.696532  1
  Zr  Zr35  1  0.093033  0.600175  0.588692  1
  Zr  Zr36  1  0.705858  0.035927  0.659128  1
  Zr  Zr37  1  0.952078  0.458280  0.662288  1
  Zr  Zr38  1  0.345347  0.023084  0.591037  1
  Zr  Zr39  1  0.874729  0.818764  0.697326  1
  Zr  Zr40  1  0.287913  0.386791  0.626216  1
  Zr  Zr41  1  0.174859  0.664678  0.675978  1
  Zr  Zr42  1  0.567862  0.225643  0.604075  1
  Zr  Zr43  1  0.672174  0.617260  0.684476  1
  Zr  Zr44  1  0.066124  0.182541  0.614820  1
  Zr  Zr45  1  0.046101  0.852678  0.614685  1
  Zr  Zr46  1  0.657759  0.287810  0.688158  1
  Zr  Zr47  1  0.585646  0.554095  0.601249  1
  Zr  Zr48  1  0.203471  0.983834  0.674844  1
  Ni  Ni49  1  0.371867  0.964016  0.318268  1
  Ni  Ni50  1  0.988979  0.399578  0.393800  1
  Ni  Ni51  1  0.422324  1.000239  0.365794  1
  Ni  Ni52  1  0.827503  0.558334  0.296892  1
  Ni  Ni53  1  0.551723  0.796763  0.419773  1
  Ni  Ni54  1  0.945688  0.360707  0.348072  1
  Ni  Ni55  1  0.411793  0.157275  0.369712  1
  Ni  Ni56  1  0.793497  0.714483  0.298420  1
  Ni  Ni57  1  0.575049  0.638690  0.419393  1
  Ni  Ni58  1  0.941929  0.203115  0.348171  1
  Ni  Ni59  1  0.093689  0.015544  0.392930  1
  Ni  Ni60  1  0.492939  0.584754  0.319955  1
  Ni  Ni61  1  0.887162  0.779936  0.395117  1
  Ni  Ni62  1  0.288027  0.347101  0.325004  1
  Ni  Ni63  1  0.954583  0.125099  0.301000  1
  Ni  Ni64  1  0.566174  0.554258  0.368860  1
  Ni  Ni65  1  0.307726  0.088309  0.292990  1
  Ni  Ni66  1  0.916225  0.505881  0.362425  1
  Ni  Ni67  1  0.449123  0.858142  0.351376  1
  Ni  Ni68  1  0.061240  0.290380  0.424899  1
  Ni  Ni69  1  0.149176  0.749351  0.361189  1
  Ni  Ni70  1  0.519779  0.266808  0.295523  1
  Ni  Ni71  1  0.834145  0.045253  0.424984  1
  Ni  Ni72  1  0.228772  0.608243  0.353185  1
  Ni  Ni73  1  0.204866  0.713067  0.411057  1
  Ni  Ni74  1  0.602670  0.277952  0.341786  1
  Ni  Ni75  1  0.766718  0.084234  0.376536  1
  Ni  Ni76  1  0.155515  0.650588  0.306600  1
  Ni  Ni77  1  0.263295  0.203093  0.325171  1
  Ni  Ni78  1  0.898691  0.636199  0.391334  1
  Ni  Ni79  1  0.466147  0.727103  0.327016  1
  Ni  Ni80  1  0.077939  0.159371  0.396345  1
  Ni  Ni81  1  0.010108  0.969200  0.303103  1
  Ni  Ni82  1  0.621621  0.394510  0.375918  1
  Ni  Ni83  1  0.742597  0.976044  0.338935  1
  Ni  Ni84  1  0.357651  0.404652  0.411462  1
  Ni  Ni85  1  0.079062  0.912638  0.351641  1
  Ni  Ni86  1  0.693236  0.347568  0.425538  1
  Ni  Ni87  1  0.666846  0.017438  0.290836  1
  Ni  Ni88  1  0.285243  0.450612  0.362209  1
  Ni  Ni89  1  0.805899  0.803590  0.346758  1
  Ni  Ni90  1  0.412794  0.239960  0.418837  1
  Ni  Ni91  1  0.599059  0.833406  0.465637  1
  Ni  Ni92  1  0.205979  0.268907  0.537098  1
  Ni  Ni93  1  0.646731  0.870207  0.511439  1
  Ni  Ni94  1  0.036552  0.435037  0.439924  1
  Ni  Ni95  1  0.768486  0.667276  0.562811  1
  Ni  Ni96  1  0.158306  0.232106  0.491296  1
  Ni  Ni97  1  0.620027  0.028337  0.511630  1
  Ni  Ni98  1  0.012477  0.593325  0.440236  1
  Ni  Ni99  1  0.792561  0.508988  0.562499  1
  Ni  Ni100  1  0.185010  0.073976  0.491105  1
  Ni  Ni101  1  0.312878  0.887833  0.535307  1
  Ni  Ni102  1  0.703843  0.452555  0.464314  1
  Ni  Ni103  1  0.101195  0.649758  0.538421  1
  Ni  Ni104  1  0.492160  0.214480  0.467428  1
  Ni  Ni105  1  0.175229  0.989677  0.441426  1
  Ni  Ni106  1  0.783277  0.425593  0.513013  1
  Ni  Ni107  1  0.526237  0.940731  0.434901  1
  Ni  Ni108  1  0.134206  0.376758  0.506555  1
  Ni  Ni109  1  0.670832  0.725555  0.496180  1
  Ni  Ni110  1  0.278801  0.161582  0.567834  1
  Ni  Ni111  1  0.363037  0.621505  0.506135  1
  Ni  Ni112  1  0.752933  0.184413  0.435178  1
  Ni  Ni113  1  0.052104  0.917900  0.567557  1
  Ni  Ni114  1  0.442001  0.480808  0.496600  1
  Ni  Ni115  1  0.422923  0.583171  0.554532  1
  Ni  Ni116  1  0.814166  0.147710  0.483299  1
  Ni  Ni117  1  0.990872  0.954603  0.519437  1
  Ni  Ni118  1  0.382115  0.519142  0.448203  1
  Ni  Ni119  1  0.508451  0.071524  0.462836  1
  Ni  Ni120  1  0.117226  0.506715  0.534562  1
  Ni  Ni121  1  0.687812  0.595598  0.468173  1
  Ni  Ni122  1  0.296587  0.030789  0.539899  1
  Ni  Ni123  1  0.229958  0.827916  0.447619  1
  Ni  Ni124  1  0.837618  0.263091  0.519743  1
  Ni  Ni125  1  0.967420  0.839222  0.482992  1
  Ni  Ni126  1  0.575080  0.274397  0.555116  1
  Ni  Ni127  1  0.304266  0.781727  0.496913  1
  Ni  Ni128  1  0.912011  0.216907  0.568915  1
  Ni  Ni129  1  0.893027  0.885406  0.433820  1
  Ni  Ni130  1  0.500772  0.320586  0.505822  1
  Ni  Ni131  1  0.021760  0.676720  0.489722  1
  Ni  Ni132  1  0.629809  0.112636  0.561309  1
  Ni  Ni133  1  0.816059  0.702735  0.608935  1
  Ni  Ni134  1  0.433170  0.138297  0.684467  1
  Ni  Ni135  1  0.859350  0.741606  0.654663  1
  Ni  Ni136  1  0.253315  0.305550  0.582962  1
  Ni  Ni137  1  0.977535  0.543979  0.705843  1
  Ni  Ni138  1  0.382714  0.102074  0.636941  1
  Ni  Ni139  1  0.863108  0.899198  0.654564  1
  Ni  Ni140  1  0.229989  0.463623  0.583342  1
  Ni  Ni141  1  0.011541  0.387830  0.704315  1
  Ni  Ni142  1  0.393245  0.945038  0.633023  1
  Ni  Ni143  1  0.517011  0.755212  0.677731  1
  Ni  Ni144  1  0.917876  0.322377  0.607618  1
  Ni  Ni145  1  0.312099  0.517559  0.682781  1
  Ni  Ni146  1  0.711349  0.086769  0.609805  1
  Ni  Ni147  1  0.392244  0.862353  0.583898  1
  Ni  Ni148  1  0.999139  0.298723  0.655978  1
  Ni  Ni149  1  0.743798  0.811933  0.577836  1
  Ni  Ni150  1  0.355915  0.244171  0.651359  1
  Ni  Ni151  1  0.888813  0.596432  0.640310  1
  Ni  Ni152  1  0.497312  0.014004  0.709745  1
  Ni  Ni153  1  0.576265  0.494070  0.649550  1
  Ni  Ni154  1  0.970893  0.057060  0.577751  1
  Ni  Ni155  1  0.285259  0.835505  0.707212  1
  Ni  Ni156  1  0.655862  0.352962  0.641546  1
  Ni  Ni157  1  0.649523  0.451725  0.696135  1
  Ni  Ni158  1  0.038320  0.018079  0.626199  1
  Ni  Ni159  1  0.202368  0.824361  0.660950  1
  Ni  Ni160  1  0.600172  0.389246  0.591678  1
  Ni  Ni161  1  0.727099  0.942942  0.606390  1
  Ni  Ni162  1  0.338890  0.375210  0.675719  1
  Ni  Ni163  1  0.906347  0.466114  0.611401  1
  Ni  Ni164  1  0.541743  0.899220  0.677564  1
  Ni  Ni165  1  0.447387  0.697661  0.591274  1
  Ni  Ni166  1  0.062441  0.126269  0.663800  1
  Ni  Ni167  1  0.183416  0.707803  0.626817  1
  Ni  Ni168  1  0.794930  0.133113  0.699632  1
  Ni  Ni169  1  0.519794  0.651701  0.640526  1
  Ni  Ni170  1  0.138192  0.084875  0.711899  1
  Ni  Ni171  1  0.111801  0.754745  0.577197  1
  Ni  Ni172  1  0.725975  0.189675  0.651095  1
  Ni  Ni173  1  0.238864  0.548055  0.633876  1
  Ni  Ni174  1  0.850455  0.977214  0.701736  1
