# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09264122
_cell_length_b   11.09325328
_cell_length_c   47.86672008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5860.6415814
_cell_formula_units_Z   252
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
  Ni  Ni1  1  0.871375  0.205103  0.339339  1
  Ni  Ni2  1  0.295321  0.962988  0.273460  1
  Ni  Ni3  1  0.265394  0.265280  0.294924  1
  Ni  Ni4  1  0.630740  0.628599  0.273886  1
  Ni  Ni5  1  0.597973  0.931175  0.294818  1
  Ni  Ni6  1  0.569167  0.235426  0.317638  1
  Ni  Ni7  1  0.929810  0.597424  0.294220  1
  Ni  Ni8  1  0.902182  0.902972  0.317664  1
  Ni  Ni9  1  0.234935  0.568189  0.317593  1
  Ni  Ni10  1  0.097300  0.429936  0.294220  1
  Ni  Ni11  1  0.431050  0.098098  0.294818  1
  Ni  Ni12  1  0.402851  0.402304  0.317664  1
  Ni  Ni13  1  0.765156  0.765518  0.294924  1
  Ni  Ni14  1  0.735303  0.069289  0.317638  1
  Ni  Ni15  1  0.704976  0.371502  0.339339  1
  Ni  Ni16  1  0.068066  0.735057  0.317593  1
  Ni  Ni17  1  0.128485  0.130852  0.273886  1
  Ni  Ni18  1  0.462875  0.795434  0.273460  1
  Ni  Ni19  1  0.901182  0.401310  0.316484  1
  Ni  Ni20  1  0.235582  0.068703  0.317819  1
  Ni  Ni21  1  0.296733  0.463112  0.273497  1
  Ni  Ni22  1  0.568579  0.735705  0.317819  1
  Ni  Ni23  1  0.627954  0.128069  0.273606  1
  Ni  Ni24  1  0.599681  0.431563  0.294628  1
  Ni  Ni25  1  0.962997  0.796847  0.273496  1
  Ni  Ni26  1  0.931439  0.099800  0.294628  1
  Ni  Ni27  1  0.265046  0.765169  0.294822  1
  Ni  Ni28  1  0.067889  0.235987  0.317455  1
  Ni  Ni29  1  0.401879  0.902003  0.317708  1
  Ni  Ni30  1  0.462104  0.295444  0.273534  1
  Ni  Ni31  1  0.735862  0.568016  0.317457  1
  Ni  Ni32  1  0.795328  0.962218  0.273534  1
  Ni  Ni33  1  0.766205  0.266326  0.294323  1
  Ni  Ni34  1  0.130153  0.630267  0.273565  1
  Ni  Ni35  1  0.098384  0.931737  0.294826  1
  Ni  Ni36  1  0.431615  0.598507  0.294826  1
  Ni  Ni37  1  0.780321  0.113803  0.406245  1
  Ni  Ni38  1  0.204786  0.871623  0.339368  1
  Ni  Ni39  1  0.174440  0.175305  0.361730  1
  Ni  Ni40  1  0.538486  0.538489  0.339353  1
  Ni  Ni41  1  0.508097  0.841485  0.361866  1
  Ni  Ni42  1  0.477491  0.144261  0.383926  1
  Ni  Ni43  1  0.841713  0.507602  0.361594  1
  Ni  Ni44  1  0.810861  0.810929  0.383887  1
  Ni  Ni45  1  0.143890  0.477501  0.383778  1
  Ni  Ni46  1  0.007473  0.341842  0.361593  1
  Ni  Ni47  1  0.341356  0.008226  0.361866  1
  Ni  Ni48  1  0.310797  0.310992  0.383886  1
  Ni  Ni49  1  0.675175  0.674570  0.361731  1
  Ni  Ni50  1  0.644129  0.977622  0.383926  1
  Ni  Ni51  1  0.613670  0.280455  0.406245  1
  Ni  Ni52  1  0.977369  0.644022  0.383778  1
  Ni  Ni53  1  0.038362  0.038613  0.339353  1
  Ni  Ni54  1  0.371495  0.704914  0.339369  1
  Ni  Ni55  1  0.810743  0.310875  0.383892  1
  Ni  Ni56  1  0.144072  0.977772  0.383885  1
  Ni  Ni57  1  0.205073  0.372008  0.339277  1
  Ni  Ni58  1  0.477640  0.644204  0.383885  1
  Ni  Ni59  1  0.538338  0.038465  0.339337  1
  Ni  Ni60  1  0.508209  0.341508  0.361827  1
  Ni  Ni61  1  0.871881  0.705200  0.339277  1
  Ni  Ni62  1  0.841380  0.008337  0.361827  1
  Ni  Ni63  1  0.174439  0.674568  0.361730  1
  Ni  Ni64  1  0.977424  0.144487  0.383871  1
  Ni  Ni65  1  0.310696  0.810828  0.383887  1
  Ni  Ni66  1  0.371918  0.205308  0.339381  1
  Ni  Ni67  1  0.644356  0.477556  0.383871  1
  Ni  Ni68  1  0.705181  0.872044  0.339381  1
  Ni  Ni69  1  0.674673  0.174801  0.361822  1
  Ni  Ni70  1  0.037973  0.538101  0.339043  1
  Ni  Ni71  1  0.007977  0.841557  0.361793  1
  Ni  Ni72  1  0.341428  0.508105  0.361794  1
  Ni  Ni73  1  0.688709  0.022161  0.472927  1
  Ni  Ni74  1  0.113565  0.780385  0.406178  1
  Ni  Ni75  1  0.083048  0.083319  0.428414  1
  Ni  Ni76  1  0.447062  0.447132  0.406225  1
  Ni  Ni77  1  0.416438  0.749833  0.428401  1
  Ni  Ni78  1  0.385863  0.052737  0.450689  1
  Ni  Ni79  1  0.749768  0.416534  0.428425  1
  Ni  Ni80  1  0.719305  0.719317  0.450672  1
  Ni  Ni81  1  0.052532  0.386048  0.450664  1
  Ni  Ni82  1  0.916398  0.249904  0.428425  1
  Ni  Ni83  1  0.249696  0.916575  0.428401  1
  Ni  Ni84  1  0.219178  0.219444  0.450672  1
  Ni  Ni85  1  0.583183  0.583184  0.428414  1
  Ni  Ni86  1  0.552598  0.886001  0.450689  1
  Ni  Ni87  1  0.522021  0.188849  0.472927  1
  Ni  Ni88  1  0.885910  0.552670  0.450664  1
  Ni  Ni89  1  0.946998  0.947195  0.406225  1
  Ni  Ni90  1  0.280252  0.613698  0.406178  1
  Ni  Ni91  1  0.719243  0.219381  0.450710  1
  Ni  Ni92  1  0.052574  0.886033  0.450679  1
  Ni  Ni93  1  0.113473  0.280577  0.406156  1
  Ni  Ni94  1  0.385894  0.552713  0.450679  1
  Ni  Ni95  1  0.446952  0.947086  0.406250  1
  Ni  Ni96  1  0.416408  0.249937  0.428422  1
  Ni  Ni97  1  0.780444  0.613607  0.406156  1
  Ni  Ni98  1  0.749801  0.916544  0.428422  1
  Ni  Ni99  1  0.083021  0.583157  0.428352  1
  Ni  Ni100  1  0.885922  0.052717  0.450705  1
  Ni  Ni101  1  0.219210  0.719349  0.450662  1
  Ni  Ni102  1  0.280196  0.113924  0.406213  1
  Ni  Ni103  1  0.552579  0.386060  0.450705  1
  Ni  Ni104  1  0.613790  0.780330  0.406213  1
  Ni  Ni105  1  0.583094  0.083230  0.428439  1
  Ni  Ni106  1  0.946885  0.447019  0.406159  1
  Ni  Ni107  1  0.916450  0.749818  0.428375  1
  Ni  Ni108  1  0.249682  0.416586  0.428375  1
  Ni  Ni109  1  0.597103  0.930602  0.539674  1
  Ni  Ni110  1  0.022033  0.688813  0.472893  1
  Ni  Ni111  1  0.991529  0.991646  0.495180  1
  Ni  Ni112  1  0.355339  0.355532  0.472911  1
  Ni  Ni113  1  0.324837  0.658326  0.495172  1
  Ni  Ni114  1  0.294322  0.961127  0.517436  1
  Ni  Ni115  1  0.658175  0.324995  0.495183  1
  Ni  Ni116  1  0.627646  0.627807  0.517435  1
  Ni  Ni117  1  0.960987  0.294455  0.517430  1
  Ni  Ni118  1  0.824852  0.158318  0.495183  1
  Ni  Ni119  1  0.158183  0.824980  0.495172  1
  Ni  Ni120  1  0.127662  0.127792  0.517435  1
  Ni  Ni121  1  0.491503  0.491672  0.495180  1
  Ni  Ni122  1  0.460982  0.794467  0.517436  1
  Ni  Ni123  1  0.430454  0.097250  0.539674  1
  Ni  Ni124  1  0.794310  0.461133  0.517429  1
  Ni  Ni125  1  0.855392  0.855479  0.472911  1
  Ni  Ni126  1  0.188672  0.522174  0.472893  1
  Ni  Ni127  1  0.627638  0.127783  0.517423  1
  Ni  Ni128  1  0.960968  0.794466  0.517408  1
  Ni  Ni129  1  0.022037  0.188858  0.472930  1
  Ni  Ni130  1  0.294320  0.461113  0.517408  1
  Ni  Ni131  1  0.355358  0.855499  0.472913  1
  Ni  Ni132  1  0.324827  0.158324  0.495171  1
  Ni  Ni133  1  0.688717  0.522177  0.472930  1
  Ni  Ni134  1  0.658181  0.824970  0.495171  1
  Ni  Ni135  1  0.991498  0.491641  0.495157  1
  Ni  Ni136  1  0.794298  0.961135  0.517419  1
  Ni  Ni137  1  0.127639  0.627784  0.517401  1
  Ni  Ni138  1  0.188692  0.022190  0.472920  1
  Ni  Ni139  1  0.460989  0.294443  0.517419  1
  Ni  Ni140  1  0.522049  0.688832  0.472920  1
  Ni  Ni141  1  0.491497  0.991641  0.495176  1
  Ni  Ni142  1  0.855372  0.355512  0.472930  1
  Ni  Ni143  1  0.824844  0.658307  0.495163  1
  Ni  Ni144  1  0.158164  0.324987  0.495163  1
  Ni  Ni145  1  0.505634  0.839084  0.606512  1
  Ni  Ni146  1  0.930415  0.597249  0.539640  1
  Ni  Ni147  1  0.899855  0.900150  0.561910  1
  Ni  Ni148  1  0.263790  0.263905  0.539657  1
  Ni  Ni149  1  0.233274  0.566693  0.561891  1
  Ni  Ni150  1  0.202729  0.869589  0.584178  1
  Ni  Ni151  1  0.566636  0.233361  0.561932  1
  Ni  Ni152  1  0.536132  0.536199  0.584164  1
  Ni  Ni153  1  0.869346  0.202900  0.584138  1
  Ni  Ni154  1  0.733210  0.066786  0.561932  1
  Ni  Ni155  1  0.066543  0.733424  0.561890  1
  Ni  Ni156  1  0.036047  0.036284  0.584164  1
  Ni  Ni157  1  0.400000  0.400005  0.561910  1
  Ni  Ni158  1  0.369437  0.702882  0.584178  1
  Ni  Ni159  1  0.338930  0.005788  0.606512  1
  Ni  Ni160  1  0.702747  0.369499  0.584138  1
  Ni  Ni161  1  0.763757  0.763938  0.539657  1
  Ni  Ni162  1  0.097101  0.430563  0.539640  1
  Ni  Ni163  1  0.536071  0.036224  0.584181  1
  Ni  Ni164  1  0.869327  0.702845  0.584118  1
  Ni  Ni165  1  0.930453  0.097277  0.539668  1
  Ni  Ni166  1  0.202693  0.369480  0.584118  1
  Ni  Ni167  1  0.263797  0.763945  0.539680  1
  Ni  Ni168  1  0.233281  0.066767  0.561961  1
  Ni  Ni169  1  0.597129  0.430600  0.539668  1
  Ni  Ni170  1  0.566617  0.733431  0.561961  1
  Ni  Ni171  1  0.899916  0.400066  0.561933  1
  Ni  Ni172  1  0.702720  0.869551  0.584157  1
  Ni  Ni173  1  0.035969  0.536122  0.584096  1
  Ni  Ni174  1  0.097128  0.930618  0.539678  1
  Ni  Ni175  1  0.369399  0.202872  0.584157  1
  Ni  Ni176  1  0.430470  0.597276  0.539678  1
  Ni  Ni177  1  0.399949  0.900099  0.561967  1
  Ni  Ni178  1  0.763782  0.263930  0.539658  1
  Ni  Ni179  1  0.733259  0.566754  0.561947  1
  Ni  Ni180  1  0.066604  0.233409  0.561947  1
  Ni  Ni181  1  0.414109  0.747888  0.673038  1
  Ni  Ni182  1  0.838848  0.505664  0.606479  1
  Ni  Ni183  1  0.808356  0.808397  0.628603  1
  Ni  Ni184  1  0.172266  0.172435  0.606510  1
  Ni  Ni185  1  0.141454  0.474976  0.628537  1
  Ni  Ni186  1  0.110839  0.778288  0.650683  1
  Ni  Ni187  1  0.474937  0.141895  0.628646  1
  Ni  Ni188  1  0.445120  0.444283  0.650863  1
  Ni  Ni189  1  0.777839  0.111470  0.651137  1
  Ni  Ni190  1  0.641738  0.975094  0.628646  1
  Ni  Ni191  1  0.974819  0.641611  0.628537  1
  Ni  Ni192  1  0.944122  0.945280  0.650863  1
  Ni  Ni193  1  0.308240  0.308513  0.628603  1
  Ni  Ni194  1  0.278129  0.610999  0.650684  1
  Ni  Ni195  1  0.247726  0.914272  0.673037  1
  Ni  Ni196  1  0.611310  0.277998  0.651137  1
  Ni  Ni197  1  0.672280  0.672420  0.606510  1
  Ni  Ni198  1  0.005509  0.339003  0.606479  1
  Ni  Ni199  1  0.444653  0.944811  0.651089  1
  Ni  Ni200  1  0.777935  0.611499  0.651112  1
  Ni  Ni201  1  0.838702  0.005885  0.606440  1
  Ni  Ni202  1  0.111340  0.278093  0.651112  1
  Ni  Ni203  1  0.172129  0.672284  0.606336  1
  Ni  Ni204  1  0.141741  0.975325  0.628642  1
  Ni  Ni205  1  0.505730  0.338857  0.606440  1
  Ni  Ni206  1  0.475168  0.641898  0.628643  1
  Ni  Ni207  1  0.808204  0.308362  0.628592  1
  Ni  Ni208  1  0.611447  0.778222  0.651139  1
  Ni  Ni209  1  0.944450  0.444609  0.651058  1
  Ni  Ni210  1  0.005356  0.839166  0.606365  1
  Ni  Ni211  1  0.278064  0.111605  0.651139  1
  Ni  Ni212  1  0.339011  0.505511  0.606365  1
  Ni  Ni213  1  0.308390  0.808547  0.628647  1
  Ni  Ni214  1  0.672197  0.172352  0.606507  1
  Ni  Ni215  1  0.641787  0.475117  0.628598  1
  Ni  Ni216  1  0.974960  0.141944  0.628598  1
  Ni  Ni217  1  0.323259  0.656077  0.737979  1
  Ni  Ni218  1  0.747321  0.414235  0.672816  1
  Ni  Ni219  1  0.718796  0.718473  0.695876  1
  Ni  Ni220  1  0.081208  0.081210  0.672889  1
  Ni  Ni221  1  0.050705  0.384234  0.695687  1
  Ni  Ni222  1  0.019923  0.685831  0.717314  1
  Ni  Ni223  1  0.384540  0.051826  0.695754  1
  Ni  Ni224  1  0.354130  0.355986  0.717400  1
  Ni  Ni225  1  0.687336  0.020391  0.717091  1
  Ni  Ni226  1  0.551665  0.884701  0.695754  1
  Ni  Ni227  1  0.884074  0.550865  0.695687  1
  Ni  Ni228  1  0.855817  0.854302  0.717400  1
  Ni  Ni229  1  0.218312  0.218955  0.695876  1
  Ni  Ni230  1  0.185660  0.520095  0.717314  1
  Ni  Ni231  1  0.155900  0.823434  0.737978  1
  Ni  Ni232  1  0.520220  0.187507  0.717090  1
  Ni  Ni233  1  0.581047  0.581371  0.672889  1
  Ni  Ni234  1  0.914072  0.247484  0.672816  1
  Ni  Ni235  1  0.355386  0.855554  0.717513  1
  Ni  Ni236  1  0.686406  0.520432  0.717222  1
  Ni  Ni237  1  0.748059  0.914293  0.672902  1
  Ni  Ni238  1  0.020262  0.186576  0.717222  1
  Ni  Ni239  1  0.080705  0.580867  0.672812  1
  Ni  Ni240  1  0.050327  0.885033  0.694903  1
  Ni  Ni241  1  0.414130  0.248221  0.672902  1
  Ni  Ni242  1  0.384870  0.550492  0.694905  1
  Ni  Ni243  1  0.717863  0.218025  0.695774  1
  Ni  Ni244  1  0.521393  0.687198  0.717344  1
  Ni  Ni245  1  0.853297  0.353467  0.717113  1
  Ni  Ni246  1  0.914500  0.747519  0.672855  1
  Ni  Ni247  1  0.187026  0.021559  0.717343  1
  Ni  Ni248  1  0.247357  0.414662  0.672856  1
  Ni  Ni249  1  0.217071  0.717238  0.694396  1
  Ni  Ni250  1  0.580830  0.080993  0.672835  1
  Ni  Ni251  1  0.551225  0.385199  0.695833  1
  Ni  Ni252  1  0.885037  0.051387  0.695832  1
