# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90285109
_cell_length_b   12.50114215
_cell_length_c   47.93598309
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.12626457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5284.77678532
_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  0.027416  0.766260  0.278633  1
  Ni  Ni2  1  0.360749  0.432926  0.278633  1
  Ni  Ni3  1  0.300036  0.755067  0.289817  1
  Ni  Ni4  1  0.694083  0.099593  0.278633  1
  Ni  Ni5  1  0.633369  0.421733  0.289817  1
  Ni  Ni6  1  0.571234  0.748215  0.301478  1
  Ni  Ni7  1  0.966703  0.088400  0.289817  1
  Ni  Ni8  1  0.904567  0.414882  0.301478  1
  Ni  Ni9  1  0.237900  0.081549  0.301478  1
  Ni  Ni10  1  0.027261  0.582835  0.298994  1
  Ni  Ni11  1  0.360595  0.249502  0.298994  1
  Ni  Ni12  1  0.296553  0.578059  0.311950  1
  Ni  Ni13  1  0.693928  0.916169  0.298994  1
  Ni  Ni14  1  0.629886  0.244725  0.311950  1
  Ni  Ni15  1  0.753009  0.590398  0.287848  1
  Ni  Ni16  1  0.963220  0.911392  0.311950  1
  Ni  Ni17  1  0.086342  0.257065  0.287848  1
  Ni  Ni18  1  0.419675  0.923731  0.287848  1
  Ni  Ni19  1  0.840797  0.741795  0.314417  1
  Ni  Ni20  1  0.174131  0.408462  0.314417  1
  Ni  Ni21  1  0.111756  0.735133  0.327052  1
  Ni  Ni22  1  0.507464  0.075129  0.314417  1
  Ni  Ni23  1  0.445090  0.401800  0.327052  1
  Ni  Ni24  1  0.382928  0.728768  0.338997  1
  Ni  Ni25  1  0.778423  0.068467  0.327052  1
  Ni  Ni26  1  0.716262  0.395435  0.338997  1
  Ni  Ni27  1  0.049595  0.062102  0.338997  1
  Ni  Ni28  1  0.837818  0.562517  0.336829  1
  Ni  Ni29  1  0.171151  0.229183  0.336829  1
  Ni  Ni30  1  0.107313  0.556314  0.349022  1
  Ni  Ni31  1  0.504485  0.895850  0.336829  1
  Ni  Ni32  1  0.440647  0.222980  0.349022  1
  Ni  Ni33  1  0.565119  0.569530  0.324256  1
  Ni  Ni34  1  0.773980  0.889647  0.349022  1
  Ni  Ni35  1  0.898453  0.236197  0.324256  1
  Ni  Ni36  1  0.231786  0.902863  0.324256  1
  Ni  Ni37  1  0.652449  0.721281  0.351227  1
  Ni  Ni38  1  0.985783  0.387948  0.351227  1
  Ni  Ni39  1  0.922390  0.714803  0.363663  1
  Ni  Ni40  1  0.319116  0.054615  0.351227  1
  Ni  Ni41  1  0.255723  0.381469  0.363663  1
  Ni  Ni42  1  0.193214  0.708059  0.376053  1
  Ni  Ni43  1  0.589056  0.048136  0.363663  1
  Ni  Ni44  1  0.526548  0.374726  0.376053  1
  Ni  Ni45  1  0.859881  0.041392  0.376053  1
  Ni  Ni46  1  0.648329  0.542562  0.373668  1
  Ni  Ni47  1  0.981663  0.209229  0.373668  1
  Ni  Ni48  1  0.919188  0.535537  0.386121  1
  Ni  Ni49  1  0.314996  0.875895  0.373668  1
  Ni  Ni50  1  0.252521  0.202203  0.386121  1
  Ni  Ni51  1  0.377421  0.549621  0.361500  1
  Ni  Ni52  1  0.585854  0.868870  0.386121  1
  Ni  Ni53  1  0.710754  0.216288  0.361500  1
  Ni  Ni54  1  0.044087  0.882954  0.361500  1
  Ni  Ni55  1  0.463693  0.701176  0.388349  1
  Ni  Ni56  1  0.797026  0.367843  0.388349  1
  Ni  Ni57  1  0.734060  0.694156  0.400690  1
  Ni  Ni58  1  0.130359  0.034509  0.388349  1
  Ni  Ni59  1  0.067393  0.360823  0.400690  1
  Ni  Ni60  1  0.004547  0.687451  0.413059  1
  Ni  Ni61  1  0.400726  0.027490  0.400690  1
  Ni  Ni62  1  0.337881  0.354117  0.413059  1
  Ni  Ni63  1  0.671214  0.020784  0.413059  1
  Ni  Ni64  1  0.460243  0.522068  0.410842  1
  Ni  Ni65  1  0.793577  0.188735  0.410842  1
  Ni  Ni66  1  0.730721  0.515184  0.423159  1
  Ni  Ni67  1  0.126910  0.855402  0.410842  1
  Ni  Ni68  1  0.064055  0.181850  0.423159  1
  Ni  Ni69  1  0.189551  0.528837  0.398499  1
  Ni  Ni70  1  0.397388  0.848517  0.423159  1
  Ni  Ni71  1  0.522885  0.195504  0.398499  1
  Ni  Ni72  1  0.856218  0.862171  0.398499  1
  Ni  Ni73  1  0.275135  0.680612  0.425421  1
  Ni  Ni74  1  0.608468  0.347278  0.425421  1
  Ni  Ni75  1  0.545647  0.673805  0.437768  1
  Ni  Ni76  1  0.941801  0.013945  0.425421  1
  Ni  Ni77  1  0.878980  0.340472  0.437768  1
  Ni  Ni78  1  0.816170  0.666945  0.450115  1
  Ni  Ni79  1  0.212313  0.007138  0.437768  1
  Ni  Ni80  1  0.149504  0.333611  0.450115  1
  Ni  Ni81  1  0.482837  1.000278  0.450115  1
  Ni  Ni82  1  0.271887  0.501512  0.447905  1
  Ni  Ni83  1  0.605220  0.168179  0.447905  1
  Ni  Ni84  1  0.542450  0.494694  0.460253  1
  Ni  Ni85  1  0.938553  0.834846  0.447905  1
  Ni  Ni86  1  0.875783  0.161361  0.460253  1
  Ni  Ni87  1  1.001297  0.508326  0.435542  1
  Ni  Ni88  1  0.209117  0.828028  0.460253  1
  Ni  Ni89  1  0.334630  0.174993  0.435542  1
  Ni  Ni90  1  0.667963  0.841660  0.435542  1
  Ni  Ni91  1  0.086728  0.660119  0.462474  1
  Ni  Ni92  1  0.420062  0.326786  0.462474  1
  Ni  Ni93  1  0.357288  0.653292  0.474834  1
  Ni  Ni94  1  0.753395  0.993453  0.462474  1
  Ni  Ni95  1  0.690621  0.319959  0.474834  1
  Ni  Ni96  1  0.627824  0.646474  0.487185  1
  Ni  Ni97  1  0.023955  0.986626  0.474834  1
  Ni  Ni98  1  0.961157  0.313141  0.487185  1
  Ni  Ni99  1  0.294490  0.979808  0.487185  1
  Ni  Ni100  1  0.083533  0.481032  0.484962  1
  Ni  Ni101  1  0.416867  0.147699  0.484962  1
  Ni  Ni102  1  0.354103  0.474200  0.497321  1
  Ni  Ni103  1  0.750200  0.814365  0.484962  1
  Ni  Ni104  1  0.687436  0.140867  0.497321  1
  Ni  Ni105  1  0.812968  0.487870  0.472600  1
  Ni  Ni106  1  0.020769  0.807533  0.497321  1
  Ni  Ni107  1  0.146301  0.154537  0.472600  1
  Ni  Ni108  1  0.479634  0.821204  0.472600  1
  Ni  Ni109  1  0.898371  0.639644  0.499535  1
  Ni  Ni110  1  0.231704  0.306311  0.499535  1
  Ni  Ni111  1  0.168940  0.632812  0.511894  1
  Ni  Ni112  1  0.565038  0.972978  0.499535  1
  Ni  Ni113  1  0.502273  0.299479  0.511894  1
  Ni  Ni114  1  0.439506  0.625974  0.524256  1
  Ni  Ni115  1  0.835607  0.966146  0.511894  1
  Ni  Ni116  1  0.772839  0.292641  0.524256  1
  Ni  Ni117  1  0.106172  0.959307  0.524256  1
  Ni  Ni118  1  0.895185  0.460552  0.522022  1
  Ni  Ni119  1  0.228519  0.127219  0.522022  1
  Ni  Ni120  1  0.165745  0.453725  0.534382  1
  Ni  Ni121  1  0.561852  0.793885  0.522022  1
  Ni  Ni122  1  0.499079  0.120392  0.534382  1
  Ni  Ni123  1  0.624650  0.467370  0.509671  1
  Ni  Ni124  1  0.832412  0.787058  0.534382  1
  Ni  Ni125  1  0.957983  0.134037  0.509671  1
  Ni  Ni126  1  0.291316  0.800703  0.509671  1
  Ni  Ni127  1  0.710023  0.619150  0.536603  1
  Ni  Ni128  1  0.043357  0.285817  0.536603  1
  Ni  Ni129  1  0.980587  0.612332  0.548951  1
  Ni  Ni130  1  0.376690  0.952483  0.536603  1
  Ni  Ni131  1  0.313920  0.278999  0.548951  1
  Ni  Ni132  1  0.251177  0.605518  0.561314  1
  Ni  Ni133  1  0.647253  0.945665  0.548951  1
  Ni  Ni134  1  0.584510  0.272185  0.561314  1
  Ni  Ni135  1  0.917843  0.938851  0.561314  1
  Ni  Ni136  1  0.706827  0.440039  0.559088  1
  Ni  Ni137  1  0.040160  0.106706  0.559088  1
  Ni  Ni138  1  0.977339  0.433232  0.571435  1
  Ni  Ni139  1  0.373493  0.773373  0.559088  1
  Ni  Ni140  1  0.310672  0.099899  0.571435  1
  Ni  Ni141  1  0.436303  0.446900  0.546741  1
  Ni  Ni142  1  0.644006  0.766566  0.571435  1
  Ni  Ni143  1  0.769636  0.113566  0.546741  1
  Ni  Ni144  1  0.102970  0.780233  0.546741  1
  Ni  Ni145  1  0.521752  0.598661  0.573697  1
  Ni  Ni146  1  0.855085  0.265327  0.573697  1
  Ni  Ni147  1  0.792230  0.591776  0.586014  1
  Ni  Ni148  1  0.188419  0.931994  0.573697  1
  Ni  Ni149  1  0.125564  0.258443  0.586014  1
  Ni  Ni150  1  0.062922  0.585007  0.598357  1
  Ni  Ni151  1  0.458897  0.925109  0.586014  1
  Ni  Ni152  1  0.396255  0.251674  0.598357  1
  Ni  Ni153  1  0.729589  0.918340  0.598357  1
  Ni  Ni154  1  0.518414  0.419688  0.596166  1
  Ni  Ni155  1  0.851747  0.086355  0.596166  1
  Ni  Ni156  1  0.788781  0.412668  0.608507  1
  Ni  Ni157  1  0.185080  0.753021  0.596166  1
  Ni  Ni158  1  0.122114  0.079335  0.608507  1
  Ni  Ni159  1  0.247926  0.426394  0.583797  1
  Ni  Ni160  1  0.455447  0.746002  0.608507  1
  Ni  Ni161  1  0.581260  0.093060  0.583797  1
  Ni  Ni162  1  0.914593  0.759727  0.583797  1
  Ni  Ni163  1  0.333286  0.578308  0.610735  1
  Ni  Ni164  1  0.666619  0.244974  0.610735  1
  Ni  Ni165  1  0.604144  0.571282  0.623188  1
  Ni  Ni166  1  0.999952  0.911641  0.610735  1
  Ni  Ni167  1  0.937477  0.237949  0.623188  1
  Ni  Ni168  1  0.875053  0.564223  0.635356  1
  Ni  Ni169  1  0.270811  0.904616  0.623188  1
  Ni  Ni170  1  0.208386  0.230890  0.635356  1
  Ni  Ni171  1  0.541719  0.897557  0.635356  1
  Ni  Ni172  1  0.330084  0.399042  0.633193  1
  Ni  Ni173  1  0.663417  0.065708  0.633193  1
  Ni  Ni174  1  0.600024  0.392563  0.645629  1
  Ni  Ni175  1  0.996750  0.732375  0.633193  1
  Ni  Ni176  1  0.933357  0.059229  0.645629  1
  Ni  Ni177  1  0.059259  0.405785  0.620803  1
  Ni  Ni178  1  0.266691  0.725896  0.645629  1
  Ni  Ni179  1  0.392592  0.072452  0.620803  1
  Ni  Ni180  1  0.725926  0.739119  0.620803  1
  Ni  Ni181  1  0.145160  0.557530  0.647834  1
  Ni  Ni182  1  0.478493  0.224197  0.647834  1
  Ni  Ni183  1  0.414655  0.551328  0.660027  1
  Ni  Ni184  1  0.811827  0.890864  0.647834  1
  Ni  Ni185  1  0.747989  0.217994  0.660027  1
  Ni  Ni186  1  0.687354  0.544314  0.672600  1
  Ni  Ni187  1  0.081322  0.884661  0.660027  1
  Ni  Ni188  1  0.020688  0.210981  0.672600  1
  Ni  Ni189  1  0.354021  0.877647  0.672600  1
  Ni  Ni190  1  0.140717  0.378711  0.669804  1
  Ni  Ni191  1  0.474050  0.045378  0.669804  1
  Ni  Ni192  1  0.411676  0.372049  0.682439  1
  Ni  Ni193  1  0.807384  0.712044  0.669804  1
  Ni  Ni194  1  0.745010  0.038715  0.682439  1
  Ni  Ni195  1  0.869545  0.385076  0.657859  1
  Ni  Ni196  1  0.078343  0.705382  0.682439  1
  Ni  Ni197  1  0.202878  0.051743  0.657859  1
  Ni  Ni198  1  0.536212  0.718409  0.657859  1
  Ni  Ni199  1  0.955921  0.535786  0.684906  1
  Ni  Ni200  1  0.289254  0.202452  0.684906  1
  Ni  Ni201  1  0.225212  0.531009  0.697862  1
  Ni  Ni202  1  0.622587  0.869119  0.684906  1
  Ni  Ni203  1  0.558545  0.197676  0.697862  1
  Ni  Ni204  1  0.499465  0.523446  0.709008  1
  Ni  Ni205  1  0.891879  0.864342  0.697862  1
  Ni  Ni206  1  0.832798  0.190113  0.709008  1
  Ni  Ni207  1  0.166132  0.856780  0.709008  1
  Ni  Ni208  1  0.952437  0.358778  0.707039  1
  Ni  Ni209  1  0.285771  0.025444  0.707039  1
  Ni  Ni210  1  0.225057  0.347585  0.718223  1
  Ni  Ni211  1  0.619104  0.692111  0.707039  1
  Ni  Ni212  1  0.558391  0.014251  0.718223  1
  Ni  Ni213  1  0.681240  0.365629  0.695378  1
  Ni  Ni214  1  0.891724  0.680918  0.718223  1
  Ni  Ni215  1  0.014573  0.032296  0.695378  1
  Ni  Ni216  1  0.347907  0.698962  0.695378  1
