# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09842953
_cell_length_b   11.10150526
_cell_length_c   47.94920264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5878.17328595
_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  0.884228  0.217347  0.329842  1
  Ni  Ni2  1  0.306732  0.978685  0.263845  1
  Ni  Ni3  1  0.278129  0.276432  0.284447  1
  Ni  Ni4  1  0.646735  0.640100  0.263876  1
  Ni  Ni5  1  0.613252  0.944484  0.285221  1
  Ni  Ni6  1  0.581240  0.248123  0.308100  1
  Ni  Ni7  1  0.942220  0.609715  0.284717  1
  Ni  Ni8  1  0.913480  0.915729  0.308049  1
  Ni  Ni9  1  0.246328  0.579953  0.306999  1
  Ni  Ni10  1  0.111112  0.445558  0.284718  1
  Ni  Ni11  1  0.444966  0.112444  0.285576  1
  Ni  Ni12  1  0.413610  0.412380  0.306730  1
  Ni  Ni13  1  0.778117  0.781167  0.285277  1
  Ni  Ni14  1  0.749038  0.080719  0.307884  1
  Ni  Ni15  1  0.717550  0.384204  0.329913  1
  Ni  Ni16  1  0.081004  0.746551  0.307977  1
  Ni  Ni17  1  0.050626  0.051100  0.330023  1
  Ni  Ni18  1  0.475976  0.809653  0.263593  1
  Ni  Ni19  1  0.914506  0.414370  0.307317  1
  Ni  Ni20  1  0.247463  0.081922  0.308145  1
  Ni  Ni21  1  0.217034  0.383433  0.329761  1
  Ni  Ni22  1  0.580499  0.747209  0.308127  1
  Ni  Ni23  1  0.641581  0.142011  0.264214  1
  Ni  Ni24  1  0.610397  0.441924  0.284634  1
  Ni  Ni25  1  0.976872  0.809194  0.264258  1
  Ni  Ni26  1  0.943306  0.109515  0.284124  1
  Ni  Ni27  1  0.274150  0.775411  0.284376  1
  Ni  Ni28  1  0.080063  0.246016  0.306506  1
  Ni  Ni29  1  0.414573  0.914091  0.308006  1
  Ni  Ni30  1  0.384279  0.217572  0.330064  1
  Ni  Ni31  1  0.748076  0.580336  0.307933  1
  Ni  Ni32  1  0.717148  0.883986  0.330016  1
  Ni  Ni33  1  0.780662  0.280968  0.284781  1
  Ni  Ni34  1  0.050493  0.550792  0.329951  1
  Ni  Ni35  1  0.111673  0.946843  0.285662  1
  Ni  Ni36  1  0.442347  0.609363  0.284655  1
  Ni  Ni37  1  0.792767  0.126308  0.396578  1
  Ni  Ni38  1  0.217749  0.883612  0.329855  1
  Ni  Ni39  1  0.186556  0.187659  0.352065  1
  Ni  Ni40  1  0.550180  0.550368  0.329677  1
  Ni  Ni41  1  0.520193  0.853508  0.352180  1
  Ni  Ni42  1  0.490067  0.156784  0.374323  1
  Ni  Ni43  1  0.854162  0.520059  0.352145  1
  Ni  Ni44  1  0.823333  0.823218  0.374319  1
  Ni  Ni45  1  0.156577  0.489641  0.374177  1
  Ni  Ni46  1  0.020425  0.353352  0.351763  1
  Ni  Ni47  1  0.353588  0.020556  0.352139  1
  Ni  Ni48  1  0.323189  0.323415  0.374257  1
  Ni  Ni49  1  0.687106  0.686621  0.352096  1
  Ni  Ni50  1  0.656576  0.989967  0.374354  1
  Ni  Ni51  1  0.626174  0.292941  0.396489  1
  Ni  Ni52  1  0.990107  0.656651  0.374289  1
  Ni  Ni53  1  0.959655  0.959438  0.396553  1
  Ni  Ni54  1  0.383545  0.717125  0.329579  1
  Ni  Ni55  1  0.823439  0.323215  0.374251  1
  Ni  Ni56  1  0.156642  0.990017  0.374266  1
  Ni  Ni57  1  0.126061  0.292912  0.396479  1
  Ni  Ni58  1  0.489603  0.656231  0.374117  1
  Ni  Ni59  1  0.550808  0.050438  0.330015  1
  Ni  Ni60  1  0.520093  0.354268  0.352070  1
  Ni  Ni61  1  0.883868  0.717400  0.329972  1
  Ni  Ni62  1  0.853815  0.020628  0.352360  1
  Ni  Ni63  1  0.187474  0.686542  0.352075  1
  Ni  Ni64  1  0.989962  0.156842  0.374327  1
  Ni  Ni65  1  0.323241  0.823121  0.374237  1
  Ni  Ni66  1  0.292760  0.126310  0.396499  1
  Ni  Ni67  1  0.656631  0.489920  0.374229  1
  Ni  Ni68  1  0.626079  0.792620  0.396492  1
  Ni  Ni69  1  0.687182  0.187111  0.352062  1
  Ni  Ni70  1  0.959651  0.459321  0.396460  1
  Ni  Ni71  1  0.020564  0.853669  0.352025  1
  Ni  Ni72  1  0.353382  0.519910  0.351679  1
  Ni  Ni73  1  0.701404  0.034757  0.463186  1
  Ni  Ni74  1  0.126246  0.792777  0.396482  1
  Ni  Ni75  1  0.095722  0.095735  0.418739  1
  Ni  Ni76  1  0.459333  0.459524  0.396437  1
  Ni  Ni77  1  0.428964  0.762218  0.418668  1
  Ni  Ni78  1  0.398525  0.065262  0.440957  1
  Ni  Ni79  1  0.762396  0.429020  0.418705  1
  Ni  Ni80  1  0.731873  0.731840  0.440942  1
  Ni  Ni81  1  0.065226  0.398563  0.440952  1
  Ni  Ni82  1  0.929025  0.262401  0.418753  1
  Ni  Ni83  1  0.262353  0.929027  0.418711  1
  Ni  Ni84  1  0.231876  0.231928  0.440954  1
  Ni  Ni85  1  0.595618  0.595617  0.418671  1
  Ni  Ni86  1  0.565186  0.898511  0.440943  1
  Ni  Ni87  1  0.534735  0.201464  0.463188  1
  Ni  Ni88  1  0.898600  0.565184  0.440941  1
  Ni  Ni89  1  0.868088  0.868078  0.463182  1
  Ni  Ni90  1  0.292818  0.625850  0.396421  1
  Ni  Ni91  1  0.731853  0.231963  0.440973  1
  Ni  Ni92  1  0.065284  0.898532  0.440962  1
  Ni  Ni93  1  0.034760  0.201441  0.463186  1
  Ni  Ni94  1  0.398526  0.565188  0.440924  1
  Ni  Ni95  1  0.459410  0.959526  0.396525  1
  Ni  Ni96  1  0.429003  0.262441  0.418727  1
  Ni  Ni97  1  0.792922  0.626062  0.396507  1
  Ni  Ni98  1  0.762355  0.928983  0.418742  1
  Ni  Ni99  1  0.095743  0.595602  0.418695  1
  Ni  Ni100  1  0.898569  0.065227  0.440974  1
  Ni  Ni101  1  0.231915  0.731830  0.440923  1
  Ni  Ni102  1  0.201440  0.034763  0.463180  1
  Ni  Ni103  1  0.565197  0.398601  0.440935  1
  Ni  Ni104  1  0.534730  0.701401  0.463154  1
  Ni  Ni105  1  0.595652  0.095751  0.418759  1
  Ni  Ni106  1  0.868074  0.368128  0.463182  1
  Ni  Ni107  1  0.929092  0.762309  0.418740  1
  Ni  Ni108  1  0.262299  0.428988  0.418706  1
  Ni  Ni109  1  0.610049  0.943399  0.529884  1
  Ni  Ni110  1  0.034784  0.701406  0.463172  1
  Ni  Ni111  1  0.004288  0.004296  0.485408  1
  Ni  Ni112  1  0.368082  0.368118  0.463176  1
  Ni  Ni113  1  0.337630  0.670969  0.485396  1
  Ni  Ni114  1  0.307170  0.973842  0.507631  1
  Ni  Ni115  1  0.670937  0.337665  0.485407  1
  Ni  Ni116  1  0.640480  0.640532  0.507630  1
  Ni  Ni117  1  0.973800  0.307187  0.507622  1
  Ni  Ni118  1  0.837604  0.170977  0.485409  1
  Ni  Ni119  1  0.170974  0.837626  0.485401  1
  Ni  Ni120  1  0.140487  0.140505  0.507624  1
  Ni  Ni121  1  0.504285  0.504319  0.485398  1
  Ni  Ni122  1  0.473836  0.807181  0.507633  1
  Ni  Ni123  1  0.443387  0.110045  0.529874  1
  Ni  Ni124  1  0.807135  0.473867  0.507625  1
  Ni  Ni125  1  0.776673  0.776760  0.529876  1
  Ni  Ni126  1  0.201427  0.534762  0.463169  1
  Ni  Ni127  1  0.640490  0.140504  0.507641  1
  Ni  Ni128  1  0.973797  0.807196  0.507631  1
  Ni  Ni129  1  0.943327  0.110050  0.529855  1
  Ni  Ni130  1  0.307164  0.473856  0.507626  1
  Ni  Ni131  1  0.368091  0.868064  0.463161  1
  Ni  Ni132  1  0.337631  0.170975  0.485409  1
  Ni  Ni133  1  0.701402  0.534771  0.463161  1
  Ni  Ni134  1  0.670939  0.837627  0.485405  1
  Ni  Ni135  1  0.004282  0.504321  0.485401  1
  Ni  Ni136  1  0.807136  0.973846  0.507638  1
  Ni  Ni137  1  0.140480  0.640532  0.507624  1
  Ni  Ni138  1  0.109985  0.943413  0.529857  1
  Ni  Ni139  1  0.473838  0.307173  0.507634  1
  Ni  Ni140  1  0.443374  0.610071  0.529861  1
  Ni  Ni141  1  0.504289  0.004293  0.485409  1
  Ni  Ni142  1  0.776685  0.276708  0.529858  1
  Ni  Ni143  1  0.837608  0.670976  0.485401  1
  Ni  Ni144  1  0.170959  0.337650  0.485403  1
  Ni  Ni145  1  0.518694  0.852192  0.596572  1
  Ni  Ni146  1  0.943323  0.610085  0.529855  1
  Ni  Ni147  1  0.912829  0.912994  0.552105  1
  Ni  Ni148  1  0.276704  0.276704  0.529849  1
  Ni  Ni149  1  0.246190  0.579623  0.552063  1
  Ni  Ni150  1  0.215670  0.882556  0.574305  1
  Ni  Ni151  1  0.579606  0.246218  0.552101  1
  Ni  Ni152  1  0.549164  0.549076  0.574304  1
  Ni  Ni153  1  0.882436  0.215772  0.574316  1
  Ni  Ni154  1  0.746243  0.079601  0.552111  1
  Ni  Ni155  1  0.079487  0.746316  0.552074  1
  Ni  Ni156  1  0.048979  0.049203  0.574324  1
  Ni  Ni157  1  0.412932  0.412877  0.552071  1
  Ni  Ni158  1  0.382406  0.715876  0.574305  1
  Ni  Ni159  1  0.351969  0.018710  0.596510  1
  Ni  Ni160  1  0.715802  0.382391  0.574316  1
  Ni  Ni161  1  0.685398  0.685324  0.596554  1
  Ni  Ni162  1  0.109997  0.443405  0.529842  1
  Ni  Ni163  1  0.549201  0.049176  0.574365  1
  Ni  Ni164  1  0.882403  0.715858  0.574332  1
  Ni  Ni165  1  0.851900  0.018881  0.596624  1
  Ni  Ni166  1  0.215716  0.382441  0.574267  1
  Ni  Ni167  1  0.276683  0.776752  0.529856  1
  Ni  Ni168  1  0.246190  0.079614  0.552077  1
  Ni  Ni169  1  0.610041  0.443375  0.529857  1
  Ni  Ni170  1  0.579591  0.746306  0.552110  1
  Ni  Ni171  1  0.912867  0.412917  0.552067  1
  Ni  Ni172  1  0.715809  0.882565  0.574383  1
  Ni  Ni173  1  0.049017  0.549152  0.574297  1
  Ni  Ni174  1  0.018466  0.852134  0.596541  1
  Ni  Ni175  1  0.382439  0.215782  0.574323  1
  Ni  Ni176  1  0.351943  0.518565  0.596459  1
  Ni  Ni177  1  0.412922  0.912962  0.552094  1
  Ni  Ni178  1  0.685462  0.185259  0.596601  1
  Ni  Ni179  1  0.746225  0.579607  0.552082  1
  Ni  Ni180  1  0.079516  0.246245  0.552052  1
  Ni  Ni181  1  0.427389  0.760637  0.663030  1
  Ni  Ni182  1  0.851922  0.518649  0.596510  1
  Ni  Ni183  1  0.821575  0.821646  0.618856  1
  Ni  Ni184  1  0.185084  0.185416  0.596504  1
  Ni  Ni185  1  0.154695  0.488094  0.618698  1
  Ni  Ni186  1  0.123961  0.791513  0.640949  1
  Ni  Ni187  1  0.488366  0.154909  0.618821  1
  Ni  Ni188  1  0.457811  0.457538  0.640870  1
  Ni  Ni189  1  0.791130  0.124755  0.641345  1
  Ni  Ni190  1  0.655101  0.988485  0.618933  1
  Ni  Ni191  1  0.988103  0.654983  0.618795  1
  Ni  Ni192  1  0.957327  0.958201  0.641009  1
  Ni  Ni193  1  0.321350  0.321550  0.618731  1
  Ni  Ni194  1  0.290873  0.624333  0.640740  1
  Ni  Ni195  1  0.260827  0.927835  0.663156  1
  Ni  Ni196  1  0.624996  0.290562  0.641039  1
  Ni  Ni197  1  0.593893  0.594346  0.663058  1
  Ni  Ni198  1  0.018618  0.351855  0.596492  1
  Ni  Ni199  1  0.457754  0.958253  0.641028  1
  Ni  Ni200  1  0.791323  0.624351  0.641013  1
  Ni  Ni201  1  0.760863  0.927340  0.663449  1
  Ni  Ni202  1  0.124171  0.291139  0.641069  1
  Ni  Ni203  1  0.185127  0.685452  0.596493  1
  Ni  Ni204  1  0.154580  0.988315  0.618765  1
  Ni  Ni205  1  0.518747  0.351862  0.596545  1
  Ni  Ni206  1  0.488180  0.654850  0.618683  1
  Ni  Ni207  1  0.821557  0.321300  0.618779  1
  Ni  Ni208  1  0.624499  0.791206  0.640910  1
  Ni  Ni209  1  0.957667  0.457457  0.640774  1
  Ni  Ni210  1  0.927381  0.761278  0.663354  1
  Ni  Ni211  1  0.290858  0.124470  0.640752  1
  Ni  Ni212  1  0.260394  0.427431  0.663115  1
  Ni  Ni213  1  0.321407  0.821772  0.618744  1
  Ni  Ni214  1  0.594747  0.094477  0.663455  1
  Ni  Ni215  1  0.654961  0.488055  0.618772  1
  Ni  Ni216  1  0.988066  0.154990  0.618858  1
  Ni  Ni217  1  0.336805  0.670149  0.729729  1
  Ni  Ni218  1  0.760983  0.427218  0.663114  1
  Ni  Ni219  1  0.730742  0.730681  0.685103  1
  Ni  Ni220  1  0.094228  0.094128  0.663251  1
  Ni  Ni221  1  0.062491  0.397545  0.685303  1
  Ni  Ni222  1  0.033736  0.698029  0.707935  1
  Ni  Ni223  1  0.396908  0.065571  0.685231  1
  Ni  Ni224  1  0.366992  0.365039  0.707813  1
  Ni  Ni225  1  0.701643  0.034878  0.708525  1
  Ni  Ni226  1  0.564056  0.897415  0.685028  1
  Ni  Ni227  1  0.897987  0.562877  0.685137  1
  Ni  Ni228  1  0.870051  0.869009  0.708799  1
  Ni  Ni229  1  0.230860  0.230029  0.685084  1
  Ni  Ni230  1  0.198574  0.534099  0.708109  1
  Ni  Ni231  1  0.166550  0.839165  0.729301  1
  Ni  Ni232  1  0.533775  0.202451  0.708647  1
  Ni  Ni233  1  0.505067  0.500808  0.729333  1
  Ni  Ni234  1  0.927290  0.260773  0.663305  1
  Ni  Ni235  1  0.366775  0.866010  0.707318  1
  Ni  Ni236  1  0.700030  0.532235  0.707576  1
  Ni  Ni237  1  0.667330  0.834330  0.729733  1
  Ni  Ni238  1  0.031408  0.196877  0.708336  1
  Ni  Ni239  1  0.094048  0.593999  0.663110  1
  Ni  Ni240  1  0.064104  0.898348  0.685288  1
  Ni  Ni241  1  0.427513  0.260804  0.663094  1
  Ni  Ni242  1  0.395784  0.563189  0.684937  1
  Ni  Ni243  1  0.731232  0.232537  0.686592  1
  Ni  Ni244  1  0.533350  0.700013  0.707459  1
  Ni  Ni245  1  0.868251  0.368691  0.708997  1
  Ni  Ni246  1  0.837897  0.665972  0.729400  1
  Ni  Ni247  1  0.203654  0.037120  0.708787  1
  Ni  Ni248  1  0.169949  0.336122  0.728950  1
  Ni  Ni249  1  0.230342  0.730151  0.684793  1
  Ni  Ni250  1  0.496895  0.003909  0.729490  1
  Ni  Ni251  1  0.564037  0.396995  0.684979  1
  Ni  Ni252  1  0.897201  0.063641  0.685848  1
