# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47929071
_cell_length_b   8.48067414
_cell_length_c   48.02242154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.37286117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   998.95994538
_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  0.230320  0.959581  0.283492  1
  Ni  Ni2  1  0.457337  0.411998  0.303342  1
  Ni  Ni3  1  0.087915  0.673939  0.299918  1
  Ni  Ni4  1  0.322180  0.142454  0.323061  1
  Ni  Ni5  1  0.693712  0.885584  0.326673  1
  Ni  Ni6  1  0.928750  0.355394  0.347947  1
  Ni  Ni7  1  0.555535  0.609323  0.343950  1
  Ni  Ni8  1  0.789629  0.077270  0.366343  1
  Ni  Ni9  1  0.161776  0.821460  0.369812  1
  Ni  Ni10  1  0.395932  0.289789  0.391408  1
  Ni  Ni11  1  0.023513  0.545156  0.387609  1
  Ni  Ni12  1  0.257308  0.012596  0.409644  1
  Ni  Ni13  1  0.629592  0.757022  0.413207  1
  Ni  Ni14  1  0.863565  0.224988  0.434918  1
  Ni  Ni15  1  0.491177  0.480389  0.431150  1
  Ni  Ni16  1  0.725022  0.947990  0.453034  1
  Ni  Ni17  1  0.097343  0.692474  0.456645  1
  Ni  Ni18  1  0.331239  0.160257  0.478405  1
  Ni  Ni19  1  0.958887  0.415724  0.474658  1
  Ni  Ni20  1  0.192745  0.883394  0.496462  1
  Ni  Ni21  1  0.565077  0.627898  0.500089  1
  Ni  Ni22  1  0.798935  0.095568  0.521893  1
  Ni  Ni23  1  0.426583  0.351035  0.518145  1
  Ni  Ni24  1  0.660479  0.818818  0.539905  1
  Ni  Ni25  1  0.032800  0.563302  0.543516  1
  Ni  Ni26  1  0.266645  0.030903  0.565401  1
  Ni  Ni27  1  0.894256  0.286304  0.561632  1
  Ni  Ni28  1  0.128230  0.754270  0.583343  1
  Ni  Ni29  1  0.500514  0.498696  0.586906  1
  Ni  Ni30  1  0.734309  0.966136  0.608941  1
  Ni  Ni31  1  0.361889  0.221503  0.605142  1
  Ni  Ni32  1  0.596045  0.689832  0.626738  1
  Ni  Ni33  1  0.968193  0.434021  0.630208  1
  Ni  Ni34  1  0.202287  0.901969  0.652600  1
  Ni  Ni35  1  0.829072  0.155898  0.648603  1
  Ni  Ni36  1  0.064109  0.625708  0.669877  1
  Ni  Ni37  1  0.435642  0.368838  0.673490  1
  Ni  Ni38  1  0.669907  0.837353  0.696633  1
  Ni  Ni39  1  0.300485  0.099294  0.693208  1
  Ni  Ni40  1  0.527502  0.551711  0.713058  1
