# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93908310
_cell_length_b   12.65561959
_cell_length_c   47.44363705
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5489.49476234
_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  0.212351  0.099805  0.298020  1
  Ni  Ni2  1  0.710787  0.099792  0.298022  1
  Ni  Ni3  1  0.075690  0.369739  0.330777  1
  Ni  Ni4  1  0.145216  0.732539  0.313435  1
  Ni  Ni5  1  0.778863  0.465271  0.283489  1
  Ni  Ni6  1  0.645601  0.731781  0.313090  1
  Ni  Ni7  1  0.492597  0.288777  0.290750  1
  Ni  Ni8  1  0.995736  0.283145  0.290690  1
  Ni  Ni9  1  0.363095  0.547457  0.320057  1
  Ni  Ni10  1  0.428550  0.916366  0.305675  1
  Ni  Ni11  1  0.862709  0.550987  0.322339  1
  Ni  Ni12  1  0.928284  0.916136  0.305676  1
  Ni  Ni13  1  0.241611  0.288776  0.290750  1
  Ni  Ni14  1  0.744111  0.283111  0.290694  1
  Ni  Ni15  1  0.112468  0.547461  0.320057  1
  Ni  Ni16  1  0.178520  0.916135  0.305676  1
  Ni  Ni17  1  0.609313  0.550996  0.322333  1
  Ni  Ni18  1  0.678019  0.916361  0.305676  1
  Ni  Ni19  1  0.460641  0.101658  0.297945  1
  Ni  Ni20  1  0.961574  0.099797  0.297967  1
  Ni  Ni21  1  0.326718  0.369568  0.330964  1
  Ni  Ni22  1  0.395510  0.732347  0.313248  1
  Ni  Ni23  1  0.826759  0.369491  0.330916  1
  Ni  Ni24  1  0.895115  0.732354  0.313248  1
  Ni  Ni25  1  0.008475  0.006063  0.345887  1
  Ni  Ni26  1  0.508397  0.006217  0.345862  1
  Ni  Ni27  1  0.872119  0.278838  0.377973  1
  Ni  Ni28  1  0.941223  0.642766  0.361550  1
  Ni  Ni29  1  0.577581  0.369737  0.330777  1
  Ni  Ni30  1  0.439064  0.642771  0.361548  1
  Ni  Ni31  1  0.292556  0.187698  0.338366  1
  Ni  Ni32  1  0.792863  0.187607  0.338346  1
  Ni  Ni33  1  0.155465  0.461726  0.369880  1
  Ni  Ni34  1  0.224305  0.824269  0.353576  1
  Ni  Ni35  1  0.655955  0.461529  0.370113  1
  Ni  Ni36  1  0.724467  0.824112  0.353521  1
  Ni  Ni37  1  0.042537  0.187611  0.338345  1
  Ni  Ni38  1  0.542756  0.187701  0.338366  1
  Ni  Ni39  1  0.905566  0.461529  0.370115  1
  Ni  Ni40  1  0.974459  0.824271  0.353576  1
  Ni  Ni41  1  0.405855  0.461725  0.369880  1
  Ni  Ni42  1  0.474456  0.824113  0.353520  1
  Ni  Ni43  1  0.258464  0.006087  0.345905  1
  Ni  Ni44  1  0.758460  0.006086  0.345905  1
  Ni  Ni45  1  0.122054  0.279035  0.377900  1
  Ni  Ni46  1  0.190671  0.641717  0.360999  1
  Ni  Ni47  1  0.621986  0.279035  0.377901  1
  Ni  Ni48  1  0.690073  0.642901  0.361644  1
  Ni  Ni49  1  0.804169  0.914774  0.393355  1
  Ni  Ni50  1  0.304156  0.914775  0.393354  1
  Ni  Ni51  1  0.667714  0.187672  0.425321  1
  Ni  Ni52  1  0.735600  0.551906  0.409535  1
  Ni  Ni53  1  0.372029  0.279020  0.377945  1
  Ni  Ni54  1  0.235643  0.551821  0.409331  1
  Ni  Ni55  1  0.088214  0.096739  0.385656  1
  Ni  Ni56  1  0.588155  0.096736  0.385656  1
  Ni  Ni57  1  0.951690  0.369759  0.417491  1
  Ni  Ni58  1  0.020294  0.733114  0.401184  1
  Ni  Ni59  1  0.451638  0.369870  0.417431  1
  Ni  Ni60  1  0.519810  0.733191  0.401258  1
  Ni  Ni61  1  0.838135  0.096736  0.385657  1
  Ni  Ni62  1  0.338197  0.096736  0.385655  1
  Ni  Ni63  1  0.701679  0.369760  0.417491  1
  Ni  Ni64  1  0.770107  0.733189  0.401258  1
  Ni  Ni65  1  0.201620  0.369871  0.417430  1
  Ni  Ni66  1  0.269701  0.733115  0.401183  1
  Ni  Ni67  1  0.054097  0.914906  0.393369  1
  Ni  Ni68  1  0.554172  0.914756  0.393330  1
  Ni  Ni69  1  0.917771  0.187601  0.425346  1
  Ni  Ni70  1  0.985693  0.551830  0.409465  1
  Ni  Ni71  1  0.417733  0.187683  0.425326  1
  Ni  Ni72  1  0.485586  0.551830  0.409464  1
  Ni  Ni73  1  0.599642  0.823879  0.440990  1
  Ni  Ni74  1  0.099632  0.823901  0.440984  1
  Ni  Ni75  1  0.463356  0.096508  0.472846  1
  Ni  Ni76  1  0.531366  0.460428  0.457039  1
  Ni  Ni77  1  0.167760  0.187672  0.425320  1
  Ni  Ni78  1  0.031390  0.460429  0.457037  1
  Ni  Ni79  1  0.883725  0.005664  0.433137  1
  Ni  Ni80  1  0.383770  0.005640  0.433125  1
  Ni  Ni81  1  0.747387  0.278409  0.464975  1
  Ni  Ni82  1  0.815465  0.642325  0.449057  1
  Ni  Ni83  1  0.247379  0.278453  0.464953  1
  Ni  Ni84  1  0.315382  0.642287  0.449002  1
  Ni  Ni85  1  0.633749  0.005639  0.433125  1
  Ni  Ni86  1  0.133768  0.005666  0.433137  1
  Ni  Ni87  1  0.497373  0.278453  0.464955  1
  Ni  Ni88  1  0.565378  0.642325  0.449057  1
  Ni  Ni89  1  0.997403  0.278408  0.464974  1
  Ni  Ni90  1  0.065500  0.642288  0.449003  1
  Ni  Ni91  1  0.849711  0.823870  0.440984  1
  Ni  Ni92  1  0.349582  0.823871  0.440984  1
  Ni  Ni93  1  0.713340  0.096504  0.472851  1
  Ni  Ni94  1  0.781384  0.460417  0.457062  1
  Ni  Ni95  1  0.213369  0.096506  0.472850  1
  Ni  Ni96  1  0.281366  0.460452  0.456999  1
  Ni  Ni97  1  0.395116  0.732930  0.488664  1
  Ni  Ni98  1  0.895181  0.732931  0.488664  1
  Ni  Ni99  1  0.258877  0.005530  0.520464  1
  Ni  Ni100  1  0.327072  0.369117  0.504572  1
  Ni  Ni101  1  0.963359  0.096489  0.472860  1
  Ni  Ni102  1  0.827082  0.369092  0.504595  1
  Ni  Ni103  1  0.679276  0.914681  0.480725  1
  Ni  Ni104  1  0.179264  0.914693  0.480730  1
  Ni  Ni105  1  0.543001  0.187282  0.512542  1
  Ni  Ni106  1  0.611090  0.551047  0.496639  1
  Ni  Ni107  1  0.043003  0.187262  0.512547  1
  Ni  Ni108  1  0.111110  0.551050  0.496616  1
  Ni  Ni109  1  0.429260  0.914685  0.480725  1
  Ni  Ni110  1  0.929268  0.914689  0.480730  1
  Ni  Ni111  1  0.293008  0.187276  0.512538  1
  Ni  Ni112  1  0.361082  0.551048  0.496616  1
  Ni  Ni113  1  0.792985  0.187267  0.512550  1
  Ni  Ni114  1  0.861105  0.551049  0.496638  1
  Ni  Ni115  1  0.645142  0.732939  0.488676  1
  Ni  Ni116  1  0.145153  0.732925  0.488655  1
  Ni  Ni117  1  0.508876  0.005528  0.520456  1
  Ni  Ni118  1  0.577071  0.369106  0.504589  1
  Ni  Ni119  1  0.008874  0.005525  0.520463  1
  Ni  Ni120  1  0.077083  0.369103  0.504583  1
  Ni  Ni121  1  0.190802  0.641694  0.536228  1
  Ni  Ni122  1  0.690801  0.641698  0.536240  1
  Ni  Ni123  1  0.054434  0.914488  0.568009  1
  Ni  Ni124  1  0.122704  0.277929  0.552205  1
  Ni  Ni125  1  0.758879  0.005512  0.520462  1
  Ni  Ni126  1  0.622672  0.277979  0.552228  1
  Ni  Ni127  1  0.474797  0.823664  0.528328  1
  Ni  Ni128  1  0.974823  0.823653  0.528328  1
  Ni  Ni129  1  0.338489  0.096386  0.560219  1
  Ni  Ni130  1  0.406789  0.459718  0.544182  1
  Ni  Ni131  1  0.838449  0.096383  0.560217  1
  Ni  Ni132  1  0.906802  0.459713  0.544186  1
  Ni  Ni133  1  0.224812  0.823661  0.528327  1
  Ni  Ni134  1  0.724821  0.823655  0.528329  1
  Ni  Ni135  1  0.088463  0.096382  0.560223  1
  Ni  Ni136  1  0.156805  0.459718  0.544177  1
  Ni  Ni137  1  0.588493  0.096388  0.560212  1
  Ni  Ni138  1  0.656806  0.459713  0.544191  1
  Ni  Ni139  1  0.440791  0.641697  0.536228  1
  Ni  Ni140  1  0.940810  0.641699  0.536230  1
  Ni  Ni141  1  0.304421  0.914497  0.568024  1
  Ni  Ni142  1  0.372716  0.277941  0.552208  1
  Ni  Ni143  1  0.804459  0.914426  0.568024  1
  Ni  Ni144  1  0.872677  0.277930  0.552217  1
  Ni  Ni145  1  0.986549  0.550281  0.583742  1
  Ni  Ni146  1  0.486542  0.550284  0.583741  1
  Ni  Ni147  1  0.850148  0.823119  0.615513  1
  Ni  Ni148  1  0.918020  0.187218  0.600040  1
  Ni  Ni149  1  0.554418  0.914491  0.568006  1
  Ni  Ni150  1  0.418147  0.187222  0.600036  1
  Ni  Ni151  1  0.270470  0.732426  0.575836  1
  Ni  Ni152  1  0.770487  0.732405  0.575846  1
  Ni  Ni153  1  0.134008  0.005330  0.607767  1
  Ni  Ni154  1  0.202538  0.368393  0.591815  1
  Ni  Ni155  1  0.634073  0.005344  0.607725  1
  Ni  Ni156  1  0.702544  0.368483  0.591862  1
  Ni  Ni157  1  0.020470  0.732404  0.575843  1
  Ni  Ni158  1  0.520451  0.732428  0.575838  1
  Ni  Ni159  1  0.883985  0.005339  0.607728  1
  Ni  Ni160  1  0.952462  0.368391  0.591819  1
  Ni  Ni161  1  0.384062  0.005331  0.607765  1
  Ni  Ni162  1  0.452361  0.368485  0.591858  1
  Ni  Ni163  1  0.236564  0.550260  0.583754  1
  Ni  Ni164  1  0.736550  0.550260  0.583761  1
  Ni  Ni165  1  0.100007  0.823338  0.615435  1
  Ni  Ni166  1  0.168095  0.187200  0.600024  1
  Ni  Ni167  1  0.600064  0.823341  0.615435  1
  Ni  Ni168  1  0.668023  0.187337  0.600039  1
  Ni  Ni169  1  0.782858  0.458758  0.631403  1
  Ni  Ni170  1  0.281837  0.458760  0.631398  1
  Ni  Ni171  1  0.645254  0.732630  0.662611  1
  Ni  Ni172  1  0.713709  0.096055  0.647469  1
  Ni  Ni173  1  0.350028  0.823352  0.615479  1
  Ni  Ni174  1  0.213808  0.095854  0.647509  1
  Ni  Ni175  1  0.066391  0.640813  0.623247  1
  Ni  Ni176  1  0.566167  0.641007  0.623238  1
  Ni  Ni177  1  0.929638  0.914318  0.655101  1
  Ni  Ni178  1  0.997695  0.277877  0.639888  1
  Ni  Ni179  1  0.429730  0.914033  0.655214  1
  Ni  Ni180  1  0.497683  0.278205  0.639973  1
  Ni  Ni181  1  0.816228  0.640812  0.623251  1
  Ni  Ni182  1  0.316250  0.641006  0.623236  1
  Ni  Ni183  1  0.679519  0.914328  0.655098  1
  Ni  Ni184  1  0.747549  0.278206  0.639975  1
  Ni  Ni185  1  0.179720  0.914031  0.655215  1
  Ni  Ni186  1  0.247868  0.277878  0.639886  1
  Ni  Ni187  1  0.032505  0.458442  0.631241  1
  Ni  Ni188  1  0.532474  0.458502  0.631283  1
  Ni  Ni189  1  0.895586  0.732308  0.662830  1
  Ni  Ni190  1  0.963762  0.095910  0.647519  1
  Ni  Ni191  1  0.395468  0.732542  0.662747  1
  Ni  Ni192  1  0.463795  0.095914  0.647516  1
  Ni  Ni193  1  0.575705  0.372061  0.680789  1
  Ni  Ni194  1  0.076562  0.370356  0.680278  1
  Ni  Ni195  1  0.445166  0.633166  0.710317  1
  Ni  Ni196  1  0.510855  0.002654  0.695454  1
  Ni  Ni197  1  0.145601  0.732622  0.662611  1
  Ni  Ni198  1  0.010047  0.002636  0.695456  1
  Ni  Ni199  1  0.862953  0.551195  0.670916  1
  Ni  Ni200  1  0.361324  0.550596  0.670320  1
  Ni  Ni201  1  0.728789  0.817786  0.702872  1
  Ni  Ni202  1  0.793261  0.186960  0.687674  1
  Ni  Ni203  1  0.227306  0.819570  0.703077  1
  Ni  Ni204  1  0.293617  0.186668  0.687684  1
  Ni  Ni205  1  0.611564  0.550600  0.670322  1
  Ni  Ni206  1  0.109337  0.551201  0.670908  1
  Ni  Ni207  1  0.476656  0.819576  0.703078  1
  Ni  Ni208  1  0.543323  0.186959  0.687672  1
  Ni  Ni209  1  0.976972  0.817739  0.702876  1
  Ni  Ni210  1  0.043257  0.186661  0.687686  1
  Ni  Ni211  1  0.825745  0.371346  0.680462  1
  Ni  Ni212  1  0.326385  0.371342  0.680459  1
  Ni  Ni213  1  0.697176  0.634542  0.710180  1
  Ni  Ni214  1  0.759962  0.003633  0.695346  1
  Ni  Ni215  1  0.191789  0.634528  0.710180  1
  Ni  Ni216  1  0.260053  0.003443  0.695442  1
