# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48396947
_cell_length_b   12.66533215
_cell_length_c   47.03225634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni84
_cell_volume   2075.32796581
_cell_formula_units_Z   84
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  0.005171  0.527737  0.325655  1
  Ni  Ni2  1  0.005171  0.297312  0.286340  1
  Ni  Ni3  1  0.005171  0.913920  0.304912  1
  Ni  Ni4  1  0.505171  0.413920  0.304912  1
  Ni  Ni5  1  0.505171  0.027737  0.325655  1
  Ni  Ni6  1  0.505171  0.797312  0.286340  1
  Ni  Ni7  1  0.505171  0.606380  0.295590  1
  Ni  Ni8  1  0.505171  0.220529  0.315943  1
  Ni  Ni9  1  0.505171  0.836185  0.336818  1
  Ni  Ni10  1  0.005171  0.336185  0.336818  1
  Ni  Ni11  1  0.005171  0.106380  0.295590  1
  Ni  Ni12  1  0.005171  0.720529  0.315943  1
  Ni  Ni13  1  0.005171  0.374182  0.388655  1
  Ni  Ni14  1  0.005171  0.143577  0.346910  1
  Ni  Ni15  1  0.005171  0.758858  0.367774  1
  Ni  Ni16  1  0.505171  0.258858  0.367774  1
  Ni  Ni17  1  0.505171  0.874182  0.388655  1
  Ni  Ni18  1  0.505171  0.643577  0.346910  1
  Ni  Ni19  1  0.505171  0.451325  0.357099  1
  Ni  Ni20  1  0.505171  0.066288  0.377958  1
  Ni  Ni21  1  0.505171  0.681572  0.399013  1
  Ni  Ni22  1  0.005171  0.181572  0.399013  1
  Ni  Ni23  1  0.005171  0.951325  0.357099  1
  Ni  Ni24  1  0.005171  0.566288  0.377958  1
  Ni  Ni25  1  0.005171  0.219484  0.451202  1
  Ni  Ni26  1  0.005171  0.989250  0.409385  1
  Ni  Ni27  1  0.005171  0.604305  0.430272  1
  Ni  Ni28  1  0.505171  0.104305  0.430272  1
  Ni  Ni29  1  0.505171  0.719484  0.451202  1
  Ni  Ni30  1  0.505171  0.489250  0.409385  1
  Ni  Ni31  1  0.505171  0.296795  0.419920  1
  Ni  Ni32  1  0.505171  0.911981  0.440782  1
  Ni  Ni33  1  0.505171  0.527099  0.461625  1
  Ni  Ni34  1  0.005171  0.027099  0.461625  1
  Ni  Ni35  1  0.005171  0.796795  0.419920  1
  Ni  Ni36  1  0.005171  0.411981  0.440782  1
  Ni  Ni37  1  0.005171  0.064981  0.513850  1
  Ni  Ni38  1  0.005171  0.834665  0.472090  1
  Ni  Ni39  1  0.005171  0.449833  0.492965  1
  Ni  Ni40  1  0.505171  0.949833  0.492965  1
  Ni  Ni41  1  0.505171  0.564981  0.513850  1
  Ni  Ni42  1  0.505171  0.334665  0.472090  1
  Ni  Ni43  1  0.505171  0.142217  0.482511  1
  Ni  Ni44  1  0.505171  0.757365  0.503396  1
  Ni  Ni45  1  0.505171  0.372533  0.524270  1
  Ni  Ni46  1  0.005171  0.872533  0.524270  1
  Ni  Ni47  1  0.005171  0.642217  0.482511  1
  Ni  Ni48  1  0.005171  0.257365  0.503396  1
  Ni  Ni49  1  0.005171  0.910403  0.576441  1
  Ni  Ni50  1  0.005171  0.680099  0.534735  1
  Ni  Ni51  1  0.005171  0.295217  0.555578  1
  Ni  Ni52  1  0.505171  0.795217  0.555578  1
  Ni  Ni53  1  0.505171  0.410403  0.576441  1
  Ni  Ni54  1  0.505171  0.180099  0.534735  1
  Ni  Ni55  1  0.505171  0.987714  0.545159  1
  Ni  Ni56  1  0.505171  0.602893  0.566089  1
  Ni  Ni57  1  0.505171  0.217948  0.586976  1
  Ni  Ni58  1  0.005171  0.717948  0.586976  1
  Ni  Ni59  1  0.005171  0.487714  0.545159  1
  Ni  Ni60  1  0.005171  0.102893  0.566089  1
  Ni  Ni61  1  0.005171  0.755873  0.639261  1
  Ni  Ni62  1  0.005171  0.525626  0.597348  1
  Ni  Ni63  1  0.005171  0.140910  0.618402  1
  Ni  Ni64  1  0.505171  0.640910  0.618402  1
  Ni  Ni65  1  0.505171  0.255873  0.639261  1
  Ni  Ni66  1  0.505171  0.025626  0.597348  1
  Ni  Ni67  1  0.505171  0.833015  0.607706  1
  Ni  Ni68  1  0.505171  0.448340  0.628587  1
  Ni  Ni69  1  0.505171  0.063620  0.649450  1
  Ni  Ni70  1  0.005171  0.563620  0.649450  1
  Ni  Ni71  1  0.005171  0.333015  0.607706  1
  Ni  Ni72  1  0.005171  0.948340  0.628587  1
  Ni  Ni73  1  0.005171  0.600817  0.700771  1
  Ni  Ni74  1  0.005171  0.371012  0.659542  1
  Ni  Ni75  1  0.005171  0.986669  0.680418  1
  Ni  Ni76  1  0.505171  0.486669  0.680418  1
  Ni  Ni77  1  0.505171  0.100817  0.700771  1
  Ni  Ni78  1  0.505171  0.871012  0.659542  1
  Ni  Ni79  1  0.505171  0.679460  0.670706  1
  Ni  Ni80  1  0.505171  0.293278  0.691449  1
  Ni  Ni81  1  0.505171  0.909886  0.710020  1
  Ni  Ni82  1  0.005171  0.409886  0.710020  1
  Ni  Ni83  1  0.005171  0.179460  0.670706  1
  Ni  Ni84  1  0.005171  0.793278  0.691449  1
