# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27421684
_cell_length_b   8.53424604
_cell_length_c   46.79498865
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.48636318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1652.47882418
_cell_formula_units_Z   68
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  0.011442  0.135420  0.284651  1
  Ni  Ni2  1  0.772145  0.620695  0.296874  1
  Ni  Ni3  1  0.469469  0.891410  0.278913  1
  Ni  Ni4  1  0.236787  0.377192  0.290818  1
  Ni  Ni5  1  0.529417  0.111431  0.310876  1
  Ni  Ni6  1  0.284838  0.600306  0.323328  1
  Ni  Ni7  1  0.984036  0.865085  0.304046  1
  Ni  Ni8  1  0.742168  0.355944  0.317201  1
  Ni  Ni9  1  0.041604  0.088171  0.337124  1
  Ni  Ni10  1  0.796472  0.577852  0.349997  1
  Ni  Ni11  1  0.495511  0.843493  0.330842  1
  Ni  Ni12  1  0.252500  0.333418  0.343639  1
  Ni  Ni13  1  0.551524  0.066770  0.363311  1
  Ni  Ni14  1  0.307085  0.555851  0.376193  1
  Ni  Ni15  1  0.007449  0.822145  0.356749  1
  Ni  Ni16  1  0.764559  0.311193  0.369758  1
  Ni  Ni17  1  0.062402  0.044493  0.389643  1
  Ni  Ni18  1  0.818042  0.533360  0.402657  1
  Ni  Ni19  1  0.519819  0.799921  0.383135  1
  Ni  Ni20  1  0.276127  0.289100  0.396163  1
  Ni  Ni21  1  0.573488  0.022338  0.415952  1
  Ni  Ni22  1  0.329076  0.511323  0.428993  1
  Ni  Ni23  1  0.031507  0.777698  0.409365  1
  Ni  Ni24  1  0.787391  0.266833  0.422469  1
  Ni  Ni25  1  0.084613  1.000119  0.442268  1
  Ni  Ni26  1  0.840198  0.489093  0.455360  1
  Ni  Ni27  1  0.542885  0.755612  0.435707  1
  Ni  Ni28  1  0.298551  0.244678  0.448811  1
  Ni  Ni29  1  0.595726  0.977980  0.468597  1
  Ni  Ni30  1  0.351312  0.466952  0.481701  1
  Ni  Ni31  1  0.054088  0.733468  0.462018  1
  Ni  Ni32  1  0.809705  0.222474  0.475139  1
  Ni  Ni33  1  0.106862  0.955792  0.494922  1
  Ni  Ni34  1  0.862438  0.444784  0.508039  1
  Ni  Ni35  1  0.565246  0.711325  0.488354  1
  Ni  Ni36  1  0.320822  0.200318  0.501472  1
  Ni  Ni37  1  0.617980  0.933636  0.521255  1
  Ni  Ni38  1  0.373597  0.422642  0.534375  1
  Ni  Ni39  1  0.076373  0.689158  0.514692  1
  Ni  Ni40  1  0.831959  0.178130  0.527797  1
  Ni  Ni41  1  0.129134  0.911432  0.547582  1
  Ni  Ni42  1  0.884799  0.400497  0.560686  1
  Ni  Ni43  1  0.587487  0.667017  0.541033  1
  Ni  Ni44  1  0.343072  0.155991  0.554126  1
  Ni  Ni45  1  0.640294  0.889277  0.573925  1
  Ni  Ni46  1  0.396177  0.378411  0.587028  1
  Ni  Ni47  1  0.098609  0.644786  0.567400  1
  Ni  Ni48  1  0.854197  0.133772  0.580442  1
  Ni  Ni49  1  0.151558  0.867010  0.600230  1
  Ni  Ni50  1  0.907865  0.356188  0.613258  1
  Ni  Ni51  1  0.609643  0.622750  0.593736  1
  Ni  Ni52  1  0.365283  0.111617  0.606751  1
  Ni  Ni53  1  0.663126  0.844916  0.626635  1
  Ni  Ni54  1  0.420235  0.333964  0.639645  1
  Ni  Ni55  1  0.120600  0.600259  0.620200  1
  Ni  Ni56  1  0.876160  0.089340  0.633082  1
  Ni  Ni57  1  0.175185  0.822691  0.652755  1
  Ni  Ni58  1  0.932174  0.312617  0.665552  1
  Ni  Ni59  1  0.631212  0.578257  0.646396  1
  Ni  Ni60  1  0.386081  0.067939  0.659270  1
  Ni  Ni61  1  0.685516  0.800166  0.679193  1
  Ni  Ni62  1  0.443649  0.291024  0.692348  1
  Ni  Ni63  1  0.142847  0.555803  0.673066  1
  Ni  Ni64  1  0.898268  0.044679  0.685517  1
  Ni  Ni65  1  0.190897  0.778918  0.705576  1
  Ni  Ni66  1  0.958216  0.264699  0.717481  1
  Ni  Ni67  1  0.655540  0.535415  0.699519  1
  Ni  Ni68  1  0.416243  0.020689  0.711742  1
