# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27424186
_cell_length_b   8.53427639
_cell_length_c   46.79164668
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.51363675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1652.37635734
_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  0.146925  0.135385  0.284672  1
  Ni  Ni2  1  0.392864  0.620669  0.296894  1
  Ni  Ni3  1  0.360828  0.891361  0.278937  1
  Ni  Ni4  1  0.614047  0.377205  0.290839  1
  Ni  Ni5  1  0.640884  0.111424  0.310897  1
  Ni  Ni6  1  0.885183  0.600306  0.323350  1
  Ni  Ni7  1  0.849098  0.865083  0.304073  1
  Ni  Ni8  1  0.098153  0.355931  0.317223  1
  Ni  Ni9  1  0.129807  0.088167  0.337149  1
  Ni  Ni10  1  0.374353  0.577847  0.350021  1
  Ni  Ni11  1  0.339006  0.843485  0.330869  1
  Ni  Ni12  1  0.585955  0.333415  0.343663  1
  Ni  Ni13  1  0.618321  0.066767  0.363337  1
  Ni  Ni14  1  0.862960  0.555848  0.376219  1
  Ni  Ni15  1  0.829604  0.822140  0.356777  1
  Ni  Ni16  1  0.075780  0.311191  0.369785  1
  Ni  Ni17  1  0.106916  0.044491  0.389671  1
  Ni  Ni18  1  0.351421  0.533357  0.402685  1
  Ni  Ni19  1  0.319753  0.799917  0.383165  1
  Ni  Ni20  1  0.565248  0.289098  0.396192  1
  Ni  Ni21  1  0.595842  0.022336  0.415981  1
  Ni  Ni22  1  0.840413  0.511321  0.429023  1
  Ni  Ni23  1  0.809216  0.777695  0.409397  1
  Ni  Ni24  1  0.054238  0.266831  0.422500  1
  Ni  Ni25  1  0.084743  1.000117  0.442299  1
  Ni  Ni26  1  0.329299  0.489091  0.455392  1
  Ni  Ni27  1  0.298505  0.755610  0.435740  1
  Ni  Ni28  1  0.543236  0.244676  0.448844  1
  Ni  Ni29  1  0.573711  0.977978  0.468630  1
  Ni  Ni30  1  0.818267  0.466950  0.481735  1
  Ni  Ni31  1  0.787558  0.733465  0.462053  1
  Ni  Ni32  1  0.032181  0.222472  0.475173  1
  Ni  Ni33  1  0.062654  0.955790  0.494957  1
  Ni  Ni34  1  0.307221  0.444783  0.508074  1
  Ni  Ni35  1  0.276570  0.711323  0.488390  1
  Ni  Ni36  1  0.521136  0.200316  0.501508  1
  Ni  Ni37  1  0.551610  0.933634  0.521291  1
  Ni  Ni38  1  0.796232  0.422641  0.534412  1
  Ni  Ni39  1  0.765523  0.689156  0.514730  1
  Ni  Ni40  1  0.010079  0.178128  0.527835  1
  Ni  Ni41  1  0.040554  0.911430  0.547621  1
  Ni  Ni42  1  0.285286  0.400497  0.560725  1
  Ni  Ni43  1  0.254491  0.667015  0.541073  1
  Ni  Ni44  1  0.499047  0.155989  0.554165  1
  Ni  Ni45  1  0.529553  0.889275  0.573965  1
  Ni  Ni46  1  0.774574  0.378411  0.587068  1
  Ni  Ni47  1  0.743378  0.644785  0.567442  1
  Ni  Ni48  1  0.987949  0.133770  0.580484  1
  Ni  Ni49  1  0.018543  0.867008  0.600273  1
  Ni  Ni50  1  0.264038  0.356189  0.613300  1
  Ni  Ni51  1  0.232370  0.622749  0.593779  1
  Ni  Ni52  1  0.476874  0.111615  0.606794  1
  Ni  Ni53  1  0.508010  0.844915  0.626680  1
  Ni  Ni54  1  0.754186  0.333966  0.639687  1
  Ni  Ni55  1  0.720831  0.600258  0.620245  1
  Ni  Ni56  1  0.965469  0.089339  0.633128  1
  Ni  Ni57  1  0.997836  0.822691  0.652802  1
  Ni  Ni58  1  0.244785  0.312622  0.665596  1
  Ni  Ni59  1  0.209438  0.578259  0.646444  1
  Ni  Ni60  1  0.453984  0.067939  0.659316  1
  Ni  Ni61  1  0.485638  0.800175  0.679242  1
  Ni  Ni62  1  0.734692  0.291024  0.692391  1
  Ni  Ni63  1  0.698608  0.555800  0.673115  1
  Ni  Ni64  1  0.942906  0.044682  0.685567  1
  Ni  Ni65  1  0.969744  0.778902  0.705626  1
  Ni  Ni66  1  0.222963  0.264745  0.717528  1
  Ni  Ni67  1  0.190926  0.535438  0.699571  1
  Ni  Ni68  1  0.436865  0.020721  0.711792  1
