# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27694206
_cell_length_b   12.49723644
_cell_length_c   47.11510790
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.85479801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2481.14206581
_cell_formula_units_Z   102
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  0.155589  0.146179  0.282687  1
  Ni  Ni2  1  0.321010  0.473612  0.291063  1
  Ni  Ni3  1  0.481383  0.804129  0.298512  1
  Ni  Ni4  1  0.409691  0.984185  0.279113  1
  Ni  Ni5  1  0.576727  0.309361  0.286861  1
  Ni  Ni6  1  0.739093  0.637969  0.295227  1
  Ni  Ni7  1  0.653024  0.135404  0.308050  1
  Ni  Ni8  1  0.816287  0.464328  0.316356  1
  Ni  Ni9  1  0.979419  0.794566  0.324367  1
  Ni  Ni10  1  0.904010  0.968374  0.303132  1
  Ni  Ni11  1  0.071730  0.299930  0.312215  1
  Ni  Ni12  1  0.235560  0.629242  0.320470  1
  Ni  Ni13  1  0.147717  0.123637  0.334107  1
  Ni  Ni14  1  0.312786  0.454531  0.342786  1
  Ni  Ni15  1  0.475933  0.784045  0.351004  1
  Ni  Ni16  1  0.400216  0.959134  0.329992  1
  Ni  Ni17  1  0.564649  0.289440  0.338563  1
  Ni  Ni18  1  0.730301  0.619406  0.346970  1
  Ni  Ni19  1  0.642826  0.114264  0.360380  1
  Ni  Ni20  1  0.807627  0.444454  0.368942  1
  Ni  Ni21  1  0.971645  0.774391  0.377381  1
  Ni  Ni22  1  0.894825  0.948916  0.355767  1
  Ni  Ni23  1  0.060291  0.279200  0.364662  1
  Ni  Ni24  1  0.225610  0.609491  0.373174  1
  Ni  Ni25  1  0.137463  0.104074  0.386693  1
  Ni  Ni26  1  0.302363  0.434406  0.395365  1
  Ni  Ni27  1  0.466914  0.764285  0.403920  1
  Ni  Ni28  1  0.390470  0.939006  0.382287  1
  Ni  Ni29  1  0.555596  0.269331  0.391098  1
  Ni  Ni30  1  0.720943  0.599474  0.399635  1
  Ni  Ni31  1  0.632439  0.094216  0.413049  1
  Ni  Ni32  1  0.797426  0.424476  0.421708  1
  Ni  Ni33  1  0.962192  0.754449  0.430338  1
  Ni  Ni34  1  0.885708  0.929142  0.408542  1
  Ni  Ni35  1  0.050744  0.259310  0.417397  1
  Ni  Ni36  1  0.216037  0.589506  0.426002  1
  Ni  Ni37  1  0.127404  0.084270  0.439392  1
  Ni  Ni38  1  0.292444  0.414496  0.448078  1
  Ni  Ni39  1  0.457316  0.744488  0.456775  1
  Ni  Ni40  1  0.380923  0.919260  0.434957  1
  Ni  Ni41  1  0.545877  0.249393  0.443772  1
  Ni  Ni42  1  0.711126  0.579569  0.452402  1
  Ni  Ni43  1  0.622430  0.074369  0.465763  1
  Ni  Ni44  1  0.787520  0.404564  0.474442  1
  Ni  Ni45  1  0.952435  0.734585  0.483179  1
  Ni  Ni46  1  0.876030  0.909369  0.461315  1
  Ni  Ni47  1  0.040970  0.239441  0.470118  1
  Ni  Ni48  1  0.206160  0.569616  0.478778  1
  Ni  Ni49  1  0.117449  0.064436  0.492128  1
  Ni  Ni50  1  0.282586  0.394613  0.500803  1
  Ni  Ni51  1  0.447516  0.724663  0.509575  1
  Ni  Ni52  1  0.371131  0.899465  0.487712  1
  Ni  Ni53  1  0.536060  0.229514  0.496484  1
  Ni  Ni54  1  0.701198  0.559691  0.505159  1
  Ni  Ni55  1  0.612487  0.054511  0.518508  1
  Ni  Ni56  1  0.777676  0.384686  0.527169  1
  Ni  Ni57  1  0.942616  0.714758  0.535972  1
  Ni  Ni58  1  0.866211  0.889542  0.514108  1
  Ni  Ni59  1  0.031127  0.219563  0.522845  1
  Ni  Ni60  1  0.196216  0.549758  0.531524  1
  Ni  Ni61  1  0.107520  0.044558  0.544885  1
  Ni  Ni62  1  0.272769  0.374734  0.553515  1
  Ni  Ni63  1  0.437723  0.704867  0.562330  1
  Ni  Ni64  1  0.361331  0.879640  0.540512  1
  Ni  Ni65  1  0.526203  0.209631  0.549208  1
  Ni  Ni66  1  0.691242  0.539857  0.557894  1
  Ni  Ni67  1  0.602609  0.034621  0.571284  1
  Ni  Ni68  1  0.767902  0.364818  0.579890  1
  Ni  Ni69  1  0.932938  0.694985  0.588744  1
  Ni  Ni70  1  0.856454  0.869678  0.566949  1
  Ni  Ni71  1  0.021221  0.199651  0.575579  1
  Ni  Ni72  1  0.186208  0.529911  0.584237  1
  Ni  Ni73  1  0.097704  0.024653  0.597652  1
  Ni  Ni74  1  0.263051  0.354796  0.606189  1
  Ni  Ni75  1  0.428176  0.685121  0.615000  1
  Ni  Ni76  1  0.351732  0.859842  0.593366  1
  Ni  Ni77  1  0.516283  0.189721  0.601922  1
  Ni  Ni78  1  0.681183  0.520053  0.610594  1
  Ni  Ni79  1  0.593037  0.014636  0.624113  1
  Ni  Ni80  1  0.758356  0.344927  0.632625  1
  Ni  Ni81  1  0.923821  0.675211  0.641520  1
  Ni  Ni82  1  0.847001  0.849736  0.619906  1
  Ni  Ni83  1  0.011019  0.179673  0.628345  1
  Ni  Ni84  1  0.175820  0.509863  0.636906  1
  Ni  Ni85  1  0.088346  0.004721  0.650317  1
  Ni  Ni86  1  0.253997  0.334687  0.658724  1
  Ni  Ni87  1  0.418430  0.664993  0.667295  1
  Ni  Ni88  1  0.342713  0.840082  0.646283  1
  Ni  Ni89  1  0.505860  0.169596  0.654501  1
  Ni  Ni90  1  0.670929  0.500490  0.663180  1
  Ni  Ni91  1  0.583086  0.994885  0.676816  1
  Ni  Ni92  1  0.746917  0.324197  0.685071  1
  Ni  Ni93  1  0.914636  0.655753  0.694155  1
  Ni  Ni94  1  0.839227  0.829561  0.672920  1
  Ni  Ni95  1  1.002359  0.159799  0.680931  1
  Ni  Ni96  1  0.165622  0.488724  0.689237  1
  Ni  Ni97  1  0.079553  0.986158  0.702060  1
  Ni  Ni98  1  0.241920  0.314766  0.710426  1
  Ni  Ni99  1  0.408956  0.639943  0.718173  1
  Ni  Ni100  1  0.337264  0.819998  0.698775  1
  Ni  Ni101  1  0.497637  0.150516  0.706224  1
  Ni  Ni102  1  0.663057  0.477948  0.714600  1
