# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90538484
_cell_length_b   12.56926923
_cell_length_c   48.02695957
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.14288886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5325.39013951
_cell_formula_units_Z   216
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  0.022212  0.760638  0.278997  1
  Ni  Ni2  1  0.355545  0.427305  0.278997  1
  Ni  Ni3  1  0.293872  0.759617  0.289989  1
  Ni  Ni4  1  0.688879  0.093971  0.278997  1
  Ni  Ni5  1  0.627205  0.426284  0.289989  1
  Ni  Ni6  1  0.567909  0.749596  0.301711  1
  Ni  Ni7  1  0.960539  0.092951  0.289989  1
  Ni  Ni8  1  0.901242  0.416263  0.301711  1
  Ni  Ni9  1  0.234576  0.082930  0.301711  1
  Ni  Ni10  1  0.035068  0.581005  0.299166  1
  Ni  Ni11  1  0.368401  0.247672  0.299166  1
  Ni  Ni12  1  0.302029  0.579157  0.311315  1
  Ni  Ni13  1  0.701734  0.914338  0.299166  1
  Ni  Ni14  1  0.635362  0.245824  0.311315  1
  Ni  Ni15  1  0.760033  0.593675  0.287632  1
  Ni  Ni16  1  0.968696  0.912490  0.311315  1
  Ni  Ni17  1  0.093367  0.260341  0.287632  1
  Ni  Ni18  1  0.426700  0.927008  0.287632  1
  Ni  Ni19  1  0.841362  0.740751  0.314955  1
  Ni  Ni20  1  0.174695  0.407418  0.314955  1
  Ni  Ni21  1  0.111012  0.734724  0.327198  1
  Ni  Ni22  1  0.508029  0.074084  0.314955  1
  Ni  Ni23  1  0.444345  0.401390  0.327198  1
  Ni  Ni24  1  0.381297  0.730427  0.339009  1
  Ni  Ni25  1  0.777678  0.068057  0.327198  1
  Ni  Ni26  1  0.714630  0.397094  0.339009  1
  Ni  Ni27  1  0.047963  0.063760  0.339009  1
  Ni  Ni28  1  0.840584  0.562355  0.336123  1
  Ni  Ni29  1  0.173918  0.229021  0.336123  1
  Ni  Ni30  1  0.110541  0.556206  0.348591  1
  Ni  Ni31  1  0.507251  0.895688  0.336123  1
  Ni  Ni32  1  0.443874  0.222873  0.348591  1
  Ni  Ni33  1  0.568531  0.571051  0.323525  1
  Ni  Ni34  1  0.777207  0.889539  0.348591  1
  Ni  Ni35  1  0.901864  0.237718  0.323525  1
  Ni  Ni36  1  0.235197  0.904384  0.323525  1
  Ni  Ni37  1  0.652634  0.721166  0.350986  1
  Ni  Ni38  1  0.985967  0.387833  0.350986  1
  Ni  Ni39  1  0.923272  0.714355  0.363892  1
  Ni  Ni40  1  0.319300  0.054499  0.350986  1
  Ni  Ni41  1  0.256606  0.381022  0.363892  1
  Ni  Ni42  1  0.193919  0.708301  0.376144  1
  Ni  Ni43  1  0.589939  0.047688  0.363892  1
  Ni  Ni44  1  0.527252  0.374968  0.376144  1
  Ni  Ni45  1  0.860585  0.041634  0.376144  1
  Ni  Ni46  1  0.649723  0.543339  0.373356  1
  Ni  Ni47  1  0.983056  0.210005  0.373356  1
  Ni  Ni48  1  0.920641  0.535489  0.385773  1
  Ni  Ni49  1  0.316390  0.876672  0.373356  1
  Ni  Ni50  1  0.253974  0.202155  0.385773  1
  Ni  Ni51  1  0.379532  0.550311  0.360902  1
  Ni  Ni52  1  0.587307  0.868822  0.385773  1
  Ni  Ni53  1  0.712866  0.216977  0.360902  1
  Ni  Ni54  1  0.046199  0.883644  0.360902  1
  Ni  Ni55  1  0.464323  0.701592  0.388258  1
  Ni  Ni56  1  0.797657  0.368258  0.388258  1
  Ni  Ni57  1  0.734756  0.694353  0.400628  1
  Ni  Ni58  1  0.130990  0.034925  0.388258  1
  Ni  Ni59  1  0.068089  0.361020  0.400628  1
  Ni  Ni60  1  0.005304  0.687536  0.413091  1
  Ni  Ni61  1  0.401423  0.027687  0.400628  1
  Ni  Ni62  1  0.338637  0.354203  0.413091  1
  Ni  Ni63  1  0.671970  0.020870  0.413091  1
  Ni  Ni64  1  0.461150  0.522574  0.410571  1
  Ni  Ni65  1  0.794484  0.189241  0.410571  1
  Ni  Ni66  1  0.731690  0.515548  0.422930  1
  Ni  Ni67  1  0.127817  0.855908  0.410571  1
  Ni  Ni68  1  0.065023  0.182215  0.422930  1
  Ni  Ni69  1  0.190938  0.529215  0.398245  1
  Ni  Ni70  1  0.398356  0.848882  0.422930  1
  Ni  Ni71  1  0.524271  0.195882  0.398245  1
  Ni  Ni72  1  0.857605  0.862549  0.398245  1
  Ni  Ni73  1  0.275881  0.680984  0.425392  1
  Ni  Ni74  1  0.609214  0.347651  0.425392  1
  Ni  Ni75  1  0.546324  0.674089  0.437672  1
  Ni  Ni76  1  0.942548  0.014317  0.425392  1
  Ni  Ni77  1  0.879657  0.340756  0.437672  1
  Ni  Ni78  1  0.816773  0.667193  0.450055  1
  Ni  Ni79  1  0.212990  0.007423  0.437672  1
  Ni  Ni80  1  0.150106  0.333859  0.450055  1
  Ni  Ni81  1  0.483439  1.000526  0.450055  1
  Ni  Ni82  1  0.272723  0.501888  0.447719  1
  Ni  Ni83  1  0.606056  0.168555  0.447719  1
  Ni  Ni84  1  0.543210  0.495098  0.460062  1
  Ni  Ni85  1  0.939390  0.835222  0.447719  1
  Ni  Ni86  1  0.876543  0.161765  0.460062  1
  Ni  Ni87  1  1.002210  0.508588  0.435331  1
  Ni  Ni88  1  0.209876  0.828432  0.460062  1
  Ni  Ni89  1  0.335544  0.175255  0.435331  1
  Ni  Ni90  1  0.668877  0.841921  0.435331  1
  Ni  Ni91  1  0.087355  0.660389  0.462424  1
  Ni  Ni92  1  0.420688  0.327056  0.462424  1
  Ni  Ni93  1  0.357894  0.653619  0.474766  1
  Ni  Ni94  1  0.754022  0.993722  0.462424  1
  Ni  Ni95  1  0.691228  0.320286  0.474766  1
  Ni  Ni96  1  0.628368  0.646760  0.487109  1
  Ni  Ni97  1  0.024561  0.986953  0.474766  1
  Ni  Ni98  1  0.961702  0.313427  0.487109  1
  Ni  Ni99  1  0.295035  0.980093  0.487109  1
  Ni  Ni100  1  0.084239  0.481369  0.484787  1
  Ni  Ni101  1  0.417572  0.148035  0.484787  1
  Ni  Ni102  1  0.354799  0.474575  0.497149  1
  Ni  Ni103  1  0.750905  0.814702  0.484787  1
  Ni  Ni104  1  0.688132  0.141242  0.497149  1
  Ni  Ni105  1  0.813715  0.488188  0.472415  1
  Ni  Ni106  1  0.021466  0.807909  0.497149  1
  Ni  Ni107  1  0.147048  0.154855  0.472415  1
  Ni  Ni108  1  0.480381  0.821522  0.472415  1
  Ni  Ni109  1  0.898880  0.639919  0.499466  1
  Ni  Ni110  1  0.232213  0.306586  0.499466  1
  Ni  Ni111  1  0.169441  0.633126  0.511828  1
  Ni  Ni112  1  0.565547  0.973253  0.499466  1
  Ni  Ni113  1  0.502774  0.299793  0.511828  1
  Ni  Ni114  1  0.439965  0.626306  0.524200  1
  Ni  Ni115  1  0.836107  0.966459  0.511828  1
  Ni  Ni116  1  0.773298  0.292973  0.524200  1
  Ni  Ni117  1  0.106631  0.959639  0.524200  1
  Ni  Ni118  1  0.895785  0.460875  0.521849  1
  Ni  Ni119  1  0.229118  0.127542  0.521849  1
  Ni  Ni120  1  0.166324  0.454106  0.534191  1
  Ni  Ni121  1  0.562452  0.794208  0.521849  1
  Ni  Ni122  1  0.499658  0.120772  0.534191  1
  Ni  Ni123  1  0.625311  0.467734  0.509507  1
  Ni  Ni124  1  0.832991  0.787439  0.534191  1
  Ni  Ni125  1  0.958644  0.134401  0.509507  1
  Ni  Ni126  1  0.291978  0.801068  0.509507  1
  Ni  Ni127  1  0.710469  0.619396  0.536553  1
  Ni  Ni128  1  0.043803  0.286063  0.536553  1
  Ni  Ni129  1  0.980956  0.612606  0.548896  1
  Ni  Ni130  1  0.377136  0.952729  0.536553  1
  Ni  Ni131  1  0.314289  0.279273  0.548896  1
  Ni  Ni132  1  0.251469  0.605906  0.561284  1
  Ni  Ni133  1  0.647623  0.945939  0.548896  1
  Ni  Ni134  1  0.584802  0.272573  0.561284  1
  Ni  Ni135  1  0.918136  0.939240  0.561284  1
  Ni  Ni136  1  0.707356  0.440405  0.558943  1
  Ni  Ni137  1  0.040689  0.107072  0.558943  1
  Ni  Ni138  1  0.977798  0.433510  0.571223  1
  Ni  Ni139  1  0.374022  0.773739  0.558943  1
  Ni  Ni140  1  0.311131  0.100177  0.571223  1
  Ni  Ni141  1  0.436907  0.447302  0.546561  1
  Ni  Ni142  1  0.644465  0.766844  0.571223  1
  Ni  Ni143  1  0.770240  0.113968  0.546561  1
  Ni  Ni144  1  0.103573  0.780635  0.546561  1
  Ni  Ni145  1  0.521990  0.598946  0.573685  1
  Ni  Ni146  1  0.855323  0.265613  0.573685  1
  Ni  Ni147  1  0.792529  0.591920  0.586044  1
  Ni  Ni148  1  0.188656  0.932279  0.573685  1
  Ni  Ni149  1  0.125862  0.258587  0.586044  1
  Ni  Ni150  1  0.062741  0.585279  0.598370  1
  Ni  Ni151  1  0.459195  0.925254  0.586044  1
  Ni  Ni152  1  0.396075  0.251946  0.598370  1
  Ni  Ni153  1  0.729408  0.918613  0.598370  1
  Ni  Ni154  1  0.518923  0.420141  0.595987  1
  Ni  Ni155  1  0.852257  0.086808  0.595987  1
  Ni  Ni156  1  0.789356  0.412903  0.608357  1
  Ni  Ni157  1  0.185590  0.753474  0.595987  1
  Ni  Ni158  1  0.122689  0.079569  0.608357  1
  Ni  Ni159  1  0.248376  0.426958  0.583525  1
  Ni  Ni160  1  0.456023  0.746236  0.608357  1
  Ni  Ni161  1  0.581709  0.093625  0.583525  1
  Ni  Ni162  1  0.915042  0.760292  0.583525  1
  Ni  Ni163  1  0.333039  0.579006  0.610842  1
  Ni  Ni164  1  0.666372  0.245673  0.610842  1
  Ni  Ni165  1  0.603956  0.571156  0.623259  1
  Ni  Ni166  1  0.999705  0.912339  0.610842  1
  Ni  Ni167  1  0.937290  0.237823  0.623259  1
  Ni  Ni168  1  0.874147  0.564184  0.635713  1
  Ni  Ni169  1  0.270623  0.904489  0.623259  1
  Ni  Ni170  1  0.207480  0.230850  0.635713  1
  Ni  Ni171  1  0.540814  0.897517  0.635713  1
  Ni  Ni172  1  0.330407  0.400140  0.632723  1
  Ni  Ni173  1  0.663740  0.066806  0.632723  1
  Ni  Ni174  1  0.601046  0.393328  0.645629  1
  Ni  Ni175  1  0.997074  0.733473  0.632723  1
  Ni  Ni176  1  0.934379  0.059995  0.645629  1
  Ni  Ni177  1  0.059761  0.406194  0.620471  1
  Ni  Ni178  1  0.267712  0.726662  0.645629  1
  Ni  Ni179  1  0.393094  0.072860  0.620471  1
  Ni  Ni180  1  0.726427  0.739527  0.620471  1
  Ni  Ni181  1  0.143139  0.558289  0.648024  1
  Ni  Ni182  1  0.476472  0.224955  0.648024  1
  Ni  Ni183  1  0.413095  0.552140  0.660492  1
  Ni  Ni184  1  0.809805  0.891622  0.648024  1
  Ni  Ni185  1  0.746428  0.218807  0.660492  1
  Ni  Ni186  1  0.685149  0.543444  0.673091  1
  Ni  Ni187  1  0.079761  0.885473  0.660492  1
  Ni  Ni188  1  0.018482  0.210110  0.673091  1
  Ni  Ni189  1  0.351815  0.876777  0.673091  1
  Ni  Ni190  1  0.142668  0.379771  0.669418  1
  Ni  Ni191  1  0.476001  0.046438  0.669418  1
  Ni  Ni192  1  0.412317  0.373743  0.681660  1
  Ni  Ni193  1  0.809334  0.713104  0.669418  1
  Ni  Ni194  1  0.745651  0.040410  0.681660  1
  Ni  Ni195  1  0.872382  0.384067  0.657606  1
  Ni  Ni196  1  0.078984  0.707077  0.681660  1
  Ni  Ni197  1  0.205716  0.050734  0.657606  1
  Ni  Ni198  1  0.539049  0.717401  0.657606  1
  Ni  Ni199  1  0.951650  0.535338  0.685300  1
  Ni  Ni200  1  0.284984  0.202004  0.685300  1
  Ni  Ni201  1  0.218611  0.533490  0.697450  1
  Ni  Ni202  1  0.618317  0.868671  0.685300  1
  Ni  Ni203  1  0.551945  0.200156  0.697450  1
  Ni  Ni204  1  0.493646  0.520820  0.708983  1
  Ni  Ni205  1  0.885278  0.866823  0.697450  1
  Ni  Ni206  1  0.826979  0.187487  0.708983  1
  Ni  Ni207  1  0.160313  0.854153  0.708983  1
  Ni  Ni208  1  0.959807  0.354877  0.706626  1
  Ni  Ni209  1  0.293141  0.021544  0.706626  1
  Ni  Ni210  1  0.231467  0.353857  0.717618  1
  Ni  Ni211  1  0.626474  0.688211  0.706626  1
  Ni  Ni212  1  0.564800  0.020523  0.717618  1
  Ni  Ni213  1  0.685770  0.364898  0.694904  1
  Ni  Ni214  1  0.898134  0.687190  0.717618  1
  Ni  Ni215  1  0.019104  0.031565  0.694904  1
  Ni  Ni216  1  0.352437  0.698232  0.694904  1
