# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69660149
_cell_length_b   12.92390826
_cell_length_c   50.81513873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.42570335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5501.61882132
_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  0.417587  0.971663  0.378121  1
  Zr  Zr2  1  0.943662  0.330116  0.294629  1
  Zr  Zr3  1  0.207318  0.714818  0.419541  1
  Zr  Zr4  1  0.741543  0.148315  0.365096  1
  Zr  Zr5  1  0.714906  0.913316  0.310652  1
  Zr  Zr6  1  0.222254  0.465851  0.361738  1
  Zr  Zr7  1  0.920666  0.603095  0.348553  1
  Zr  Zr8  1  0.405960  0.219103  0.435825  1
  Zr  Zr9  1  0.474876  0.665209  0.345601  1
  Zr  Zr10  1  0.943605  0.284106  0.431821  1
  Zr  Zr11  1  0.215899  0.819063  0.311562  1
  Zr  Zr12  1  0.679194  0.404227  0.365607  1
  Zr  Zr13  1  0.671674  0.801836  0.413099  1
  Zr  Zr14  1  0.208797  0.225640  0.358395  1
  Zr  Zr15  1  0.955892  0.881739  0.383683  1
  Zr  Zr16  1  0.481022  0.267884  0.297162  1
  Zr  Zr17  1  0.355100  0.163570  0.520163  1
  Zr  Zr18  1  0.882284  0.539068  0.433266  1
  Zr  Zr19  1  0.147707  0.907699  0.562263  1
  Zr  Zr20  1  0.681180  0.339574  0.506859  1
  Zr  Zr21  1  0.700869  0.082924  0.450606  1
  Zr  Zr22  1  0.157782  0.659713  0.504017  1
  Zr  Zr23  1  0.865092  0.796197  0.489530  1
  Zr  Zr24  1  0.342949  0.411642  0.578071  1
  Zr  Zr25  1  0.413915  0.863018  0.487000  1
  Zr  Zr26  1  0.880757  0.476288  0.574274  1
  Zr  Zr27  1  0.150104  0.016946  0.452709  1
  Zr  Zr28  1  0.621771  0.595119  0.508023  1
  Zr  Zr29  1  0.609724  0.994468  0.555529  1
  Zr  Zr30  1  0.143102  0.418354  0.500699  1
  Zr  Zr31  1  0.893155  0.076421  0.526906  1
  Zr  Zr32  1  0.420080  0.459972  0.439256  1
  Zr  Zr33  1  0.295581  0.357582  0.661208  1
  Zr  Zr34  1  0.821640  0.732140  0.575649  1
  Zr  Zr35  1  0.071811  0.108947  0.702173  1
  Zr  Zr36  1  0.618949  0.533002  0.648321  1
  Zr  Zr37  1  0.637042  0.275626  0.592232  1
  Zr  Zr38  1  0.104769  0.851861  0.647113  1
  Zr  Zr39  1  0.802725  0.985873  0.632446  1
  Zr  Zr40  1  0.314779  0.592929  0.718090  1
  Zr  Zr41  1  0.356362  0.053127  0.630627  1
  Zr  Zr42  1  0.825864  0.685844  0.714512  1
  Zr  Zr43  1  0.088066  0.208130  0.595067  1
  Zr  Zr44  1  0.558135  0.789834  0.651138  1
  Zr  Zr45  1  0.549775  0.195168  0.697495  1
  Zr  Zr46  1  0.081111  0.611232  0.642514  1
  Zr  Zr47  1  0.824675  0.270929  0.667608  1
  Zr  Zr48  1  0.358771  0.653809  0.581652  1
  Ni  Ni49  1  0.625088  0.429943  0.282928  1
  Ni  Ni50  1  0.077555  0.057359  0.371242  1
  Ni  Ni51  1  0.693599  0.603395  0.385236  1
  Ni  Ni52  1  0.233781  0.023658  0.328690  1
  Ni  Ni53  1  0.930852  0.082621  0.412877  1
  Ni  Ni54  1  0.459014  0.465049  0.325002  1
  Ni  Ni55  1  0.946055  0.672236  0.394370  1
  Ni  Ni56  1  0.481437  0.097247  0.334536  1
  Ni  Ni57  1  0.680747  0.012118  0.404811  1
  Ni  Ni58  1  0.205385  0.398770  0.315386  1
  Ni  Ni59  1  0.475712  0.870148  0.333486  1
  Ni  Ni60  1  0.940511  0.450887  0.387506  1
  Ni  Ni61  1  0.201610  0.613561  0.320031  1
  Ni  Ni62  1  0.684865  0.235788  0.411114  1
  Ni  Ni63  1  0.433890  0.001910  0.429034  1
  Ni  Ni64  1  0.963012  0.381216  0.341123  1
  Ni  Ni65  1  0.717994  0.511233  0.320632  1
  Ni  Ni66  1  0.195022  0.131608  0.408713  1
  Ni  Ni67  1  0.962901  0.979836  0.333012  1
  Ni  Ni68  1  0.427254  0.554644  0.388919  1
  Ni  Ni69  1  0.961377  0.787482  0.336496  1
  Ni  Ni70  1  0.443157  0.355666  0.393786  1
  Ni  Ni71  1  0.704329  0.709939  0.313924  1
  Ni  Ni72  1  0.181620  0.328277  0.403880  1
  Ni  Ni73  1  0.923121  0.908866  0.435030  1
  Ni  Ni74  1  0.463294  0.288007  0.346363  1
  Ni  Ni75  1  0.702185  0.777324  0.361759  1
  Ni  Ni76  1  0.229523  0.201755  0.308177  1
  Ni  Ni77  1  0.968979  0.536244  0.303056  1
  Ni  Ni78  1  0.465211  0.162718  0.387830  1
  Ni  Ni79  1  0.697957  0.959571  0.356433  1
  Ni  Ni80  1  0.163077  0.519592  0.409604  1
  Ni  Ni81  1  0.200026  0.925091  0.408291  1
  Ni  Ni82  1  0.714059  0.311331  0.322532  1
  Ni  Ni83  1  0.421646  0.762268  0.388948  1
  Ni  Ni84  1  0.971521  0.181673  0.333115  1
  Ni  Ni85  1  0.215585  0.865901  0.358603  1
  Ni  Ni86  1  0.682675  0.432635  0.414795  1
  Ni  Ni87  1  0.470340  0.625821  0.296052  1
  Ni  Ni88  1  0.942342  0.253693  0.382720  1
  Ni  Ni89  1  0.182785  0.686165  0.367465  1
  Ni  Ni90  1  0.735825  0.121502  0.314103  1
  Ni  Ni91  1  0.544168  0.629329  0.426078  1
  Ni  Ni92  1  0.017984  0.250046  0.514220  1
  Ni  Ni93  1  0.634091  0.795826  0.526317  1
  Ni  Ni94  1  0.170087  0.216865  0.470554  1
  Ni  Ni95  1  0.868327  0.275484  0.555701  1
  Ni  Ni96  1  0.393798  0.662297  0.469453  1
  Ni  Ni97  1  0.884671  0.865574  0.536395  1
  Ni  Ni98  1  0.414346  0.295555  0.481415  1
  Ni  Ni99  1  0.617578  0.205461  0.545635  1
  Ni  Ni100  1  0.149511  0.583772  0.458689  1
  Ni  Ni101  1  0.419445  0.065826  0.475809  1
  Ni  Ni102  1  0.879369  0.643882  0.529937  1
  Ni  Ni103  1  0.145691  0.813242  0.464289  1
  Ni  Ni104  1  0.622688  0.428281  0.552132  1
  Ni  Ni105  1  0.373704  0.193214  0.570612  1
  Ni  Ni106  1  0.901856  0.572911  0.483546  1
  Ni  Ni107  1  0.658852  0.705702  0.463876  1
  Ni  Ni108  1  0.132053  0.325392  0.551561  1
  Ni  Ni109  1  0.905300  0.173935  0.476162  1
  Ni  Ni110  1  0.370289  0.746074  0.530537  1
  Ni  Ni111  1  0.915553  0.976817  0.482553  1
  Ni  Ni112  1  0.380803  0.551155  0.536847  1
  Ni  Ni113  1  0.651058  0.902029  0.457404  1
  Ni  Ni114  1  0.120918  0.520943  0.545303  1
  Ni  Ni115  1  0.860031  0.100910  0.577175  1
  Ni  Ni116  1  0.404415  0.485458  0.490627  1
  Ni  Ni117  1  0.644246  0.969810  0.504846  1
  Ni  Ni118  1  0.159511  0.394059  0.449796  1
  Ni  Ni119  1  0.928546  0.727726  0.443792  1
  Ni  Ni120  1  0.399341  0.358169  0.530672  1
  Ni  Ni121  1  0.635571  0.151431  0.496211  1
  Ni  Ni122  1  0.102974  0.713573  0.551572  1
  Ni  Ni123  1  0.140343  0.116979  0.550837  1
  Ni  Ni124  1  0.658366  0.501758  0.463755  1
  Ni  Ni125  1  0.362496  0.954155  0.531424  1
  Ni  Ni126  1  0.904879  0.377627  0.476388  1
  Ni  Ni127  1  0.154053  0.057918  0.501526  1
  Ni  Ni128  1  0.622515  0.625379  0.556802  1
  Ni  Ni129  1  0.409161  0.821190  0.438294  1
  Ni  Ni130  1  0.879999  0.446410  0.525312  1
  Ni  Ni131  1  0.129439  0.877224  0.511533  1
  Ni  Ni132  1  0.662572  0.306906  0.456762  1
  Ni  Ni133  1  0.485644  0.821384  0.567761  1
  Ni  Ni134  1  0.957288  0.442677  0.656542  1
  Ni  Ni135  1  0.567754  0.993688  0.671814  1
  Ni  Ni136  1  0.107783  0.408070  0.613061  1
  Ni  Ni137  1  0.811570  0.470947  0.698102  1
  Ni  Ni138  1  0.334382  0.854252  0.611007  1
  Ni  Ni139  1  0.823068  0.055340  0.679526  1
  Ni  Ni140  1  0.352581  0.489765  0.622754  1
  Ni  Ni141  1  0.558172  0.411803  0.691109  1
  Ni  Ni142  1  0.088084  0.776099  0.601171  1
  Ni  Ni143  1  0.357378  0.255102  0.617273  1
  Ni  Ni144  1  0.818685  0.838224  0.674308  1
  Ni  Ni145  1  0.084424  0.004418  0.606882  1
  Ni  Ni146  1  0.571471  0.621034  0.694241  1
  Ni  Ni147  1  0.316193  0.381933  0.711476  1
  Ni  Ni148  1  0.839418  0.766065  0.626538  1
  Ni  Ni149  1  0.598066  0.897120  0.605931  1
  Ni  Ni150  1  0.077640  0.517877  0.693978  1
  Ni  Ni151  1  0.842415  0.365847  0.618701  1
  Ni  Ni152  1  0.309938  0.948361  0.677475  1
  Ni  Ni153  1  0.851625  0.166452  0.624077  1
  Ni  Ni154  1  0.323428  0.746906  0.680620  1
  Ni  Ni155  1  0.590405  0.093279  0.599824  1
  Ni  Ni156  1  0.070994  0.705943  0.686906  1
  Ni  Ni157  1  0.800418  0.282452  0.716543  1
  Ni  Ni158  1  0.343661  0.679553  0.633064  1
  Ni  Ni159  1  0.583460  0.160357  0.647392  1
  Ni  Ni160  1  0.097372  0.585725  0.591400  1
  Ni  Ni161  1  0.867263  0.920463  0.586236  1
  Ni  Ni162  1  0.335359  0.554757  0.671505  1
  Ni  Ni163  1  0.570841  0.344970  0.638759  1
  Ni  Ni164  1  0.050831  0.901581  0.694503  1
  Ni  Ni165  1  0.073166  0.315339  0.694716  1
  Ni  Ni166  1  0.598480  0.694527  0.605765  1
  Ni  Ni167  1  0.301821  0.152133  0.675052  1
  Ni  Ni168  1  0.844297  0.569516  0.618881  1
  Ni  Ni169  1  0.092709  0.249890  0.644510  1
  Ni  Ni170  1  0.555633  0.820964  0.699793  1
  Ni  Ni171  1  0.348813  0.014127  0.581069  1
  Ni  Ni172  1  0.820488  0.639493  0.668313  1
  Ni  Ni173  1  0.068977  0.068104  0.653737  1
  Ni  Ni174  1  0.601409  0.499036  0.598037  1
