# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49055303
_cell_length_b   12.68013405
_cell_length_c   46.95738992
_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   2078.36602215
_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  1.004218  0.603446  0.296084  1
  Ni  Ni2  1  1.004218  0.218568  0.316914  1
  Ni  Ni3  1  1.004218  0.833901  0.337610  1
  Ni  Ni4  1  0.504218  0.333901  0.337610  1
  Ni  Ni5  1  0.504218  0.103446  0.296084  1
  Ni  Ni6  1  0.504218  0.718568  0.316914  1
  Ni  Ni7  1  0.504218  0.525717  0.326877  1
  Ni  Ni8  1  0.504218  0.296105  0.286241  1
  Ni  Ni9  1  0.504218  0.911365  0.306453  1
  Ni  Ni10  1  1.004218  0.411365  0.306453  1
  Ni  Ni11  1  1.004218  0.025717  0.326877  1
  Ni  Ni12  1  1.004218  0.796105  0.286241  1
  Ni  Ni13  1  1.004218  0.449885  0.358050  1
  Ni  Ni14  1  1.004218  0.065245  0.378800  1
  Ni  Ni15  1  1.004218  0.680548  0.399771  1
  Ni  Ni16  1  0.504218  0.180548  0.399771  1
  Ni  Ni17  1  0.504218  0.949885  0.358050  1
  Ni  Ni18  1  0.504218  0.565245  0.378800  1
  Ni  Ni19  1  0.504218  0.373051  0.389394  1
  Ni  Ni20  1  0.504218  0.141938  0.347639  1
  Ni  Ni21  1  0.504218  0.757540  0.368495  1
  Ni  Ni22  1  1.004218  0.257540  0.368495  1
  Ni  Ni23  1  1.004218  0.873051  0.389394  1
  Ni  Ni24  1  1.004218  0.641938  0.347639  1
  Ni  Ni25  1  1.004218  0.295828  0.420687  1
  Ni  Ni26  1  1.004218  0.911087  0.441568  1
  Ni  Ni27  1  1.004218  0.526332  0.462431  1
  Ni  Ni28  1  0.504218  0.026332  0.462431  1
  Ni  Ni29  1  0.504218  0.795828  0.420687  1
  Ni  Ni30  1  0.504218  0.411087  0.441568  1
  Ni  Ni31  1  0.504218  0.218676  0.451986  1
  Ni  Ni32  1  0.504218  0.988260  0.410222  1
  Ni  Ni33  1  0.504218  0.603430  0.431085  1
  Ni  Ni34  1  1.004218  0.103430  0.431085  1
  Ni  Ni35  1  1.004218  0.718676  0.451986  1
  Ni  Ni36  1  1.004218  0.488260  0.410222  1
  Ni  Ni37  1  1.004218  0.141567  0.483308  1
  Ni  Ni38  1  1.004218  0.756816  0.504189  1
  Ni  Ni39  1  1.004218  0.372081  0.525071  1
  Ni  Ni40  1  0.504218  0.872081  0.525071  1
  Ni  Ni41  1  0.504218  0.641567  0.483308  1
  Ni  Ni42  1  0.504218  0.256816  0.504189  1
  Ni  Ni43  1  0.504218  0.064461  0.514641  1
  Ni  Ni44  1  0.504218  0.833946  0.472878  1
  Ni  Ni45  1  0.504218  0.449211  0.493760  1
  Ni  Ni46  1  1.004218  0.949211  0.493760  1
  Ni  Ni47  1  1.004218  0.564461  0.514641  1
  Ni  Ni48  1  1.004218  0.333946  0.472878  1
  Ni  Ni49  1  1.004218  0.987351  0.545963  1
  Ni  Ni50  1  1.004218  0.602597  0.566864  1
  Ni  Ni51  1  1.004218  0.217767  0.587726  1
  Ni  Ni52  1  0.504218  0.717767  0.587726  1
  Ni  Ni53  1  0.504218  0.487351  0.545963  1
  Ni  Ni54  1  0.504218  0.102597  0.566864  1
  Ni  Ni55  1  0.504218  0.910200  0.577262  1
  Ni  Ni56  1  0.504218  0.679696  0.535517  1
  Ni  Ni57  1  0.504218  0.294941  0.556381  1
  Ni  Ni58  1  1.004218  0.794941  0.556381  1
  Ni  Ni59  1  1.004218  0.410200  0.577262  1
  Ni  Ni60  1  1.004218  0.179696  0.535517  1
  Ni  Ni61  1  1.004218  0.832976  0.608554  1
  Ni  Ni62  1  1.004218  0.448487  0.629454  1
  Ni  Ni63  1  1.004218  0.064089  0.650310  1
  Ni  Ni64  1  0.504218  0.564089  0.650310  1
  Ni  Ni65  1  0.504218  0.332976  0.608554  1
  Ni  Ni66  1  0.504218  0.948487  0.629454  1
  Ni  Ni67  1  0.504218  0.756143  0.639899  1
  Ni  Ni68  1  0.504218  0.525480  0.598178  1
  Ni  Ni69  1  0.504218  0.140783  0.619149  1
  Ni  Ni70  1  1.004218  0.640783  0.619149  1
  Ni  Ni71  1  1.004218  0.256143  0.639899  1
  Ni  Ni72  1  1.004218  0.025480  0.598178  1
  Ni  Ni73  1  1.004218  0.680310  0.671071  1
  Ni  Ni74  1  1.004218  0.294662  0.691496  1
  Ni  Ni75  1  1.004218  0.909923  0.711708  1
  Ni  Ni76  1  0.504218  0.409923  0.711708  1
  Ni  Ni77  1  0.504218  0.180310  0.671071  1
  Ni  Ni78  1  0.504218  0.794662  0.691496  1
  Ni  Ni79  1  0.504218  0.602582  0.701864  1
  Ni  Ni80  1  0.504218  0.372126  0.660339  1
  Ni  Ni81  1  0.504218  0.987460  0.681035  1
  Ni  Ni82  1  1.004218  0.487460  0.681035  1
  Ni  Ni83  1  1.004218  0.102582  0.701864  1
  Ni  Ni84  1  1.004218  0.872126  0.660339  1
