# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48410426
_cell_length_b   12.68581590
_cell_length_c   47.03996185
_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   2079.10540574
_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  0.504945  0.413008  0.304313  1
  Ni  Ni2  1  0.504945  0.026645  0.325486  1
  Ni  Ni3  1  0.504945  0.796506  0.285578  1
  Ni  Ni4  1  1.004945  0.526645  0.325486  1
  Ni  Ni5  1  1.004945  0.296506  0.285578  1
  Ni  Ni6  1  1.004945  0.913008  0.304313  1
  Ni  Ni7  1  1.004945  0.334938  0.336637  1
  Ni  Ni8  1  1.004945  0.104718  0.294516  1
  Ni  Ni9  1  1.004945  0.719172  0.315641  1
  Ni  Ni10  1  0.504945  0.604718  0.294516  1
  Ni  Ni11  1  0.504945  0.219172  0.315641  1
  Ni  Ni12  1  0.504945  0.834938  0.336637  1
  Ni  Ni13  1  0.504945  0.257408  0.367596  1
  Ni  Ni14  1  0.504945  0.872765  0.388480  1
  Ni  Ni15  1  0.504945  0.642242  0.346738  1
  Ni  Ni16  1  1.004945  0.372765  0.388480  1
  Ni  Ni17  1  1.004945  0.142242  0.346738  1
  Ni  Ni18  1  1.004945  0.757408  0.367596  1
  Ni  Ni19  1  1.004945  0.180219  0.398817  1
  Ni  Ni20  1  1.004945  0.949823  0.357011  1
  Ni  Ni21  1  1.004945  0.564895  0.377801  1
  Ni  Ni22  1  0.504945  0.449823  0.357011  1
  Ni  Ni23  1  0.504945  0.064895  0.377801  1
  Ni  Ni24  1  0.504945  0.680219  0.398817  1
  Ni  Ni25  1  0.504945  0.103065  0.430057  1
  Ni  Ni26  1  0.504945  0.718308  0.450959  1
  Ni  Ni27  1  0.504945  0.487943  0.409205  1
  Ni  Ni28  1  1.004945  0.218308  0.450959  1
  Ni  Ni29  1  1.004945  0.987943  0.409205  1
  Ni  Ni30  1  1.004945  0.603065  0.430057  1
  Ni  Ni31  1  1.004945  0.025962  0.461381  1
  Ni  Ni32  1  1.004945  0.795506  0.419708  1
  Ni  Ni33  1  1.004945  0.410766  0.440556  1
  Ni  Ni34  1  0.504945  0.295506  0.419708  1
  Ni  Ni35  1  0.504945  0.910766  0.440556  1
  Ni  Ni36  1  0.504945  0.525962  0.461381  1
  Ni  Ni37  1  0.504945  0.948801  0.492686  1
  Ni  Ni38  1  0.504945  0.564019  0.513549  1
  Ni  Ni39  1  0.504945  0.333560  0.471830  1
  Ni  Ni40  1  1.004945  0.064019  0.513549  1
  Ni  Ni41  1  1.004945  0.833560  0.471830  1
  Ni  Ni42  1  1.004945  0.448801  0.492686  1
  Ni  Ni43  1  1.004945  0.871611  0.523959  1
  Ni  Ni44  1  1.004945  0.641151  0.482241  1
  Ni  Ni45  1  1.004945  0.256370  0.503103  1
  Ni  Ni46  1  0.504945  0.141151  0.482241  1
  Ni  Ni47  1  0.504945  0.756370  0.503103  1
  Ni  Ni48  1  0.504945  0.371611  0.523959  1
  Ni  Ni49  1  0.504945  0.794404  0.555234  1
  Ni  Ni50  1  0.504945  0.409665  0.576081  1
  Ni  Ni51  1  0.504945  0.179208  0.534409  1
  Ni  Ni52  1  1.004945  0.909665  0.576081  1
  Ni  Ni53  1  1.004945  0.679208  0.534409  1
  Ni  Ni54  1  1.004945  0.294404  0.555234  1
  Ni  Ni55  1  1.004945  0.717227  0.586585  1
  Ni  Ni56  1  1.004945  0.486862  0.544830  1
  Ni  Ni57  1  1.004945  0.102106  0.565733  1
  Ni  Ni58  1  0.504945  0.986862  0.544830  1
  Ni  Ni59  1  0.504945  0.602106  0.565733  1
  Ni  Ni60  1  0.504945  0.217227  0.586585  1
  Ni  Ni61  1  0.504945  0.640275  0.617989  1
  Ni  Ni62  1  0.504945  0.255347  0.638779  1
  Ni  Ni63  1  0.504945  0.024952  0.596973  1
  Ni  Ni64  1  1.004945  0.755347  0.638779  1
  Ni  Ni65  1  1.004945  0.524952  0.596973  1
  Ni  Ni66  1  1.004945  0.140275  0.617989  1
  Ni  Ni67  1  1.004945  0.562928  0.649051  1
  Ni  Ni68  1  1.004945  0.332405  0.607309  1
  Ni  Ni69  1  1.004945  0.947763  0.628193  1
  Ni  Ni70  1  0.504945  0.832405  0.607309  1
  Ni  Ni71  1  0.504945  0.447763  0.628193  1
  Ni  Ni72  1  0.504945  0.062928  0.649051  1
  Ni  Ni73  1  0.504945  0.485999  0.680149  1
  Ni  Ni74  1  0.504945  0.100453  0.701273  1
  Ni  Ni75  1  0.504945  0.870232  0.659153  1
  Ni  Ni76  1  1.004945  0.600453  0.701273  1
  Ni  Ni77  1  1.004945  0.370232  0.659153  1
  Ni  Ni78  1  1.004945  0.985999  0.680149  1
  Ni  Ni79  1  1.004945  0.408664  0.710211  1
  Ni  Ni80  1  1.004945  0.178526  0.670304  1
  Ni  Ni81  1  1.004945  0.792162  0.691477  1
  Ni  Ni82  1  0.504945  0.678526  0.670304  1
  Ni  Ni83  1  0.504945  0.292162  0.691477  1
  Ni  Ni84  1  0.504945  0.908664  0.710211  1
