# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29295821
_cell_length_b   4.70062911
_cell_length_c   46.52470680
_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   Ni40
_cell_volume   938.850174264
_cell_formula_units_Z   40
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  0.163571  0.019311  0.284066  1
  Ni  Ni2  1  0.666517  0.890298  0.306140  1
  Ni  Ni3  1  0.338288  0.519311  0.284066  1
  Ni  Ni4  1  0.835342  0.390298  0.306140  1
  Ni  Ni5  1  0.167931  0.749935  0.329230  1
  Ni  Ni6  1  0.667215  0.612891  0.351419  1
  Ni  Ni7  1  0.333928  0.249935  0.329230  1
  Ni  Ni8  1  0.834644  0.112891  0.351419  1
  Ni  Ni9  1  0.167180  0.474146  0.374357  1
  Ni  Ni10  1  0.667706  0.336201  0.396992  1
  Ni  Ni11  1  0.334680  0.974146  0.374357  1
  Ni  Ni12  1  0.834153  0.836201  0.396992  1
  Ni  Ni13  1  0.167799  0.197902  0.419826  1
  Ni  Ni14  1  0.667880  0.059838  0.442552  1
  Ni  Ni15  1  0.334060  0.697902  0.419826  1
  Ni  Ni16  1  0.833979  0.559838  0.442552  1
  Ni  Ni17  1  0.167865  0.921669  0.465344  1
  Ni  Ni18  1  0.667875  0.783576  0.488096  1
  Ni  Ni19  1  0.333994  0.421669  0.465344  1
  Ni  Ni20  1  0.833984  0.283576  0.488096  1
  Ni  Ni21  1  0.167875  0.645432  0.510878  1
  Ni  Ni22  1  0.667865  0.507339  0.533630  1
  Ni  Ni23  1  0.333984  0.145432  0.510878  1
  Ni  Ni24  1  0.833994  0.007339  0.533630  1
  Ni  Ni25  1  0.167880  0.369171  0.556421  1
  Ni  Ni26  1  0.667799  0.231107  0.579148  1
  Ni  Ni27  1  0.333979  0.869171  0.556421  1
  Ni  Ni28  1  0.834060  0.731107  0.579148  1
  Ni  Ni29  1  0.167706  0.092808  0.601982  1
  Ni  Ni30  1  0.667180  0.954863  0.624617  1
  Ni  Ni31  1  0.334153  0.592808  0.601982  1
  Ni  Ni32  1  0.834680  0.454863  0.624617  1
  Ni  Ni33  1  0.167215  0.816118  0.647555  1
  Ni  Ni34  1  0.667931  0.679074  0.669744  1
  Ni  Ni35  1  0.334644  0.316118  0.647555  1
  Ni  Ni36  1  0.833928  0.179074  0.669744  1
  Ni  Ni37  1  0.166517  0.538710  0.692834  1
  Ni  Ni38  1  0.663571  0.409697  0.714908  1
  Ni  Ni39  1  0.335342  0.038710  0.692834  1
  Ni  Ni40  1  0.838288  0.909697  0.714908  1
