# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29184600
_cell_length_b   8.52889607
_cell_length_c   46.87625218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.61156670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1660.39663313
_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  0.133180  0.129844  0.285066  1
  Ni  Ni2  1  0.380148  0.616262  0.297660  1
  Ni  Ni3  1  0.365859  0.890433  0.279221  1
  Ni  Ni4  1  0.615796  0.372275  0.291508  1
  Ni  Ni5  1  0.629006  0.106933  0.311727  1
  Ni  Ni6  1  0.876722  0.596473  0.324123  1
  Ni  Ni7  1  0.853175  0.859795  0.304712  1
  Ni  Ni8  1  0.101766  0.350711  0.318123  1
  Ni  Ni9  1  0.123621  0.083345  0.337415  1
  Ni  Ni10  1  0.369512  0.573150  0.350451  1
  Ni  Ni11  1  0.342525  0.840130  0.331272  1
  Ni  Ni12  1  0.585462  0.329108  0.344053  1
  Ni  Ni13  1  0.614995  0.061844  0.364030  1
  Ni  Ni14  1  0.859524  0.550338  0.376909  1
  Ni  Ni15  1  0.828454  0.817051  0.357352  1
  Ni  Ni16  1  0.073016  0.305853  0.370483  1
  Ni  Ni17  1  0.104104  0.038933  0.390222  1
  Ni  Ni18  1  0.348540  0.527715  0.403281  1
  Ni  Ni19  1  0.316872  0.794438  0.383704  1
  Ni  Ni20  1  0.561528  0.283501  0.396791  1
  Ni  Ni21  1  0.592968  0.016349  0.416580  1
  Ni  Ni22  1  0.837393  0.505095  0.429648  1
  Ni  Ni23  1  0.805655  0.771929  0.409979  1
  Ni  Ni24  1  0.050122  0.260722  0.423117  1
  Ni  Ni25  1  0.081732  0.993703  0.442875  1
  Ni  Ni26  1  0.326116  0.482433  0.455990  1
  Ni  Ni27  1  0.294404  0.749309  0.436306  1
  Ni  Ni28  1  0.538818  0.238110  0.449442  1
  Ni  Ni29  1  0.570451  0.971078  0.469203  1
  Ni  Ni30  1  0.814830  0.459802  0.482329  1
  Ni  Ni31  1  0.783129  0.726715  0.462622  1
  Ni  Ni32  1  0.027510  0.215450  0.475764  1
  Ni  Ni33  1  0.059158  0.948438  0.495520  1
  Ni  Ni34  1  0.303531  0.437172  0.508659  1
  Ni  Ni35  1  0.271837  0.704084  0.488951  1
  Ni  Ni36  1  0.516209  0.192818  0.502089  1
  Ni  Ni37  1  0.547858  0.925806  0.521846  1
  Ni  Ni38  1  0.792239  0.414542  0.534988  1
  Ni  Ni39  1  0.760538  0.681454  0.515280  1
  Ni  Ni40  1  0.004916  0.170179  0.528406  1
  Ni  Ni41  1  0.036549  0.903146  0.548168  1
  Ni  Ni42  1  0.280964  0.391948  0.561304  1
  Ni  Ni43  1  0.249251  0.658823  0.541620  1
  Ni  Ni44  1  0.493636  0.147553  0.554735  1
  Ni  Ni45  1  0.525246  0.880535  0.574493  1
  Ni  Ni46  1  0.769713  0.369327  0.587631  1
  Ni  Ni47  1  0.737975  0.636162  0.567961  1
  Ni  Ni48  1  0.982400  0.124907  0.581029  1
  Ni  Ni49  1  0.013840  0.857755  0.600818  1
  Ni  Ni50  1  0.258496  0.346819  0.613905  1
  Ni  Ni51  1  0.226827  0.613541  0.594329  1
  Ni  Ni52  1  0.471264  0.102323  0.607388  1
  Ni  Ni53  1  0.502352  0.835403  0.627127  1
  Ni  Ni54  1  0.746914  0.324206  0.640257  1
  Ni  Ni55  1  0.715844  0.590919  0.620700  1
  Ni  Ni56  1  0.960373  0.079413  0.633580  1
  Ni  Ni57  1  0.989906  0.812148  0.653557  1
  Ni  Ni58  1  0.232842  0.301126  0.666338  1
  Ni  Ni59  1  0.205856  0.568107  0.647158  1
  Ni  Ni60  1  0.451747  0.057912  0.660195  1
  Ni  Ni61  1  0.473601  0.790545  0.679487  1
  Ni  Ni62  1  0.722193  0.281461  0.692897  1
  Ni  Ni63  1  0.698646  0.544783  0.673486  1
  Ni  Ni64  1  0.946362  0.034324  0.685883  1
  Ni  Ni65  1  0.959572  0.768982  0.706102  1
  Ni  Ni66  1  0.209509  0.250823  0.718389  1
  Ni  Ni67  1  0.195219  0.524994  0.699949  1
  Ni  Ni68  1  0.442187  0.011412  0.712543  1
