# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29089733
_cell_length_b   12.48895724
_cell_length_c   47.17543099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.92076902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2490.27382621
_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  0.139268  0.141825  0.281799  1
  Ni  Ni2  1  0.308924  0.470885  0.290417  1
  Ni  Ni3  1  0.472559  0.799971  0.298718  1
  Ni  Ni4  1  0.410923  0.980213  0.278054  1
  Ni  Ni5  1  0.582123  0.305792  0.286131  1
  Ni  Ni6  1  0.748806  0.635552  0.294702  1
  Ni  Ni7  1  0.641234  0.131496  0.308435  1
  Ni  Ni8  1  0.806922  0.460704  0.316921  1
  Ni  Ni9  1  0.975021  0.791665  0.325163  1
  Ni  Ni10  1  0.905747  0.964477  0.303616  1
  Ni  Ni11  1  0.074424  0.296133  0.312692  1
  Ni  Ni12  1  0.240379  0.625560  0.321236  1
  Ni  Ni13  1  0.141891  0.120353  0.334144  1
  Ni  Ni14  1  0.308337  0.450993  0.342952  1
  Ni  Ni15  1  0.473859  0.780832  0.351472  1
  Ni  Ni16  1  0.400900  0.956282  0.330146  1
  Ni  Ni17  1  0.563317  0.285957  0.338677  1
  Ni  Ni18  1  0.730387  0.616148  0.347193  1
  Ni  Ni19  1  0.639445  0.110849  0.360757  1
  Ni  Ni20  1  0.804806  0.440805  0.369374  1
  Ni  Ni21  1  0.969947  0.770628  0.377953  1
  Ni  Ni22  1  0.893007  0.945634  0.356233  1
  Ni  Ni23  1  0.057433  0.275628  0.365061  1
  Ni  Ni24  1  0.223625  0.605767  0.373695  1
  Ni  Ni25  1  0.134892  0.100496  0.386942  1
  Ni  Ni26  1  0.299997  0.430577  0.395668  1
  Ni  Ni27  1  0.465202  0.760469  0.404335  1
  Ni  Ni28  1  0.387608  0.935408  0.382582  1
  Ni  Ni29  1  0.552357  0.265624  0.391364  1
  Ni  Ni30  1  0.718069  0.595580  0.399983  1
  Ni  Ni31  1  0.629979  0.090338  0.413300  1
  Ni  Ni32  1  0.795092  0.420407  0.422006  1
  Ni  Ni33  1  0.960160  0.750276  0.430703  1
  Ni  Ni34  1  0.882596  0.925341  0.408863  1
  Ni  Ni35  1  0.047334  0.255349  0.417667  1
  Ni  Ni36  1  0.212805  0.585365  0.426347  1
  Ni  Ni37  1  0.124993  0.080156  0.439593  1
  Ni  Ni38  1  0.290054  0.410184  0.448321  1
  Ni  Ni39  1  0.455081  0.740097  0.457056  1
  Ni  Ni40  1  0.377523  0.915161  0.435193  1
  Ni  Ni41  1  0.542348  0.245178  0.443983  1
  Ni  Ni42  1  0.707623  0.575174  0.452674  1
  Ni  Ni43  1  0.619939  0.069975  0.465922  1
  Ni  Ni44  1  0.785011  0.399992  0.474646  1
  Ni  Ni45  1  0.949981  0.729916  0.483399  1
  Ni  Ni46  1  0.872455  0.905005  0.461512  1
  Ni  Ni47  1  0.037325  0.234973  0.470296  1
  Ni  Ni48  1  0.202493  0.564972  0.479009  1
  Ni  Ni49  1  0.114860  0.059787  0.492243  1
  Ni  Ni50  1  0.279959  0.389789  0.500964  1
  Ni  Ni51  1  0.444884  0.719741  0.509734  1
  Ni  Ni52  1  0.367363  0.894830  0.487846  1
  Ni  Ni53  1  0.532288  0.224782  0.496616  1
  Ni  Ni54  1  0.697388  0.554784  0.505338  1
  Ni  Ni55  1  0.609755  0.049599  0.518571  1
  Ni  Ni56  1  0.774923  0.379598  0.527285  1
  Ni  Ni57  1  0.939793  0.709565  0.536068  1
  Ni  Ni58  1  0.862266  0.884655  0.514182  1
  Ni  Ni59  1  0.027236  0.214579  0.522934  1
  Ni  Ni60  1  0.192308  0.544596  0.531658  1
  Ni  Ni61  1  0.104625  0.039397  0.544906  1
  Ni  Ni62  1  0.269899  0.369393  0.553598  1
  Ni  Ni63  1  0.434724  0.699410  0.562387  1
  Ni  Ni64  1  0.357166  0.874474  0.540525  1
  Ni  Ni65  1  0.522193  0.204387  0.549259  1
  Ni  Ni66  1  0.687254  0.534415  0.557987  1
  Ni  Ni67  1  0.599443  0.029206  0.571234  1
  Ni  Ni68  1  0.764913  0.359222  0.579913  1
  Ni  Ni69  1  0.929651  0.689230  0.588717  1
  Ni  Ni70  1  0.852087  0.864295  0.566878  1
  Ni  Ni71  1  0.017155  0.194164  0.575574  1
  Ni  Ni72  1  0.182268  0.524233  0.584280  1
  Ni  Ni73  1  0.094179  0.018991  0.597597  1
  Ni  Ni74  1  0.259891  0.348947  0.606217  1
  Ni  Ni75  1  0.424639  0.679163  0.614999  1
  Ni  Ni76  1  0.347046  0.854102  0.593246  1
  Ni  Ni77  1  0.512250  0.183994  0.601913  1
  Ni  Ni78  1  0.677355  0.514075  0.610639  1
  Ni  Ni79  1  0.588622  0.008804  0.623886  1
  Ni  Ni80  1  0.754815  0.338943  0.632520  1
  Ni  Ni81  1  0.919240  0.668937  0.641348  1
  Ni  Ni82  1  0.842300  0.843943  0.619628  1
  Ni  Ni83  1  0.007442  0.173766  0.628206  1
  Ni  Ni84  1  0.172803  0.503722  0.636824  1
  Ni  Ni85  1  0.081861  0.998423  0.650387  1
  Ni  Ni86  1  0.248930  0.328614  0.658904  1
  Ni  Ni87  1  0.411347  0.658289  0.667435  1
  Ni  Ni88  1  0.338388  0.833739  0.646109  1
  Ni  Ni89  1  0.503910  0.163578  0.654629  1
  Ni  Ni90  1  0.670356  0.494218  0.663437  1
  Ni  Ni91  1  0.571868  0.989011  0.676345  1
  Ni  Ni92  1  0.737824  0.318438  0.684888  1
  Ni  Ni93  1  0.906500  0.650094  0.693964  1
  Ni  Ni94  1  0.837226  0.822906  0.672418  1
  Ni  Ni95  1  0.005325  0.153867  0.680659  1
  Ni  Ni96  1  0.171013  0.483075  0.689146  1
  Ni  Ni97  1  0.063442  0.979019  0.702878  1
  Ni  Ni98  1  0.230125  0.308779  0.711450  1
  Ni  Ni99  1  0.401324  0.634358  0.719527  1
  Ni  Ni100  1  0.339689  0.814600  0.698862  1
  Ni  Ni101  1  0.503323  0.143686  0.707164  1
  Ni  Ni102  1  0.672979  0.472746  0.715781  1
