# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45434653
_cell_length_b   8.66572942
_cell_length_c   48.03463678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.17651494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1011.24910727
_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  0.238511  0.966036  0.284836  1
  Ni  Ni2  1  0.475623  0.441236  0.304812  1
  Ni  Ni3  1  0.103108  0.695539  0.300124  1
  Ni  Ni4  1  0.338752  0.166832  0.320070  1
  Ni  Ni5  1  0.708637  0.906570  0.326741  1
  Ni  Ni6  1  0.944406  0.378609  0.347471  1
  Ni  Ni7  1  0.571887  0.633175  0.343464  1
  Ni  Ni8  1  0.807436  0.104315  0.364391  1
  Ni  Ni9  1  0.178644  0.846778  0.369591  1
  Ni  Ni10  1  0.413299  0.316339  0.390856  1
  Ni  Ni11  1  0.041223  0.571922  0.387005  1
  Ni  Ni12  1  0.276243  0.041998  0.408397  1
  Ni  Ni13  1  0.647970  0.785557  0.412962  1
  Ni  Ni14  1  0.882652  0.255048  0.434461  1
  Ni  Ni15  1  0.510475  0.510483  0.430596  1
  Ni  Ni16  1  0.745340  0.980253  0.452170  1
  Ni  Ni17  1  0.117232  0.724168  0.456460  1
  Ni  Ni18  1  0.351951  0.193679  0.478069  1
  Ni  Ni19  1  0.979774  0.449133  0.474193  1
  Ni  Ni20  1  0.214533  0.918701  0.495823  1
  Ni  Ni21  1  0.586481  0.662734  0.500040  1
  Ni  Ni22  1  0.821240  0.132302  0.521670  1
  Ni  Ni23  1  0.449063  0.387756  0.517794  1
  Ni  Ni24  1  0.683782  0.857267  0.539403  1
  Ni  Ni25  1  0.055674  0.601182  0.543693  1
  Ni  Ni26  1  0.290538  0.070952  0.565267  1
  Ni  Ni27  1  0.918361  0.326387  0.561401  1
  Ni  Ni28  1  0.153044  0.795879  0.582901  1
  Ni  Ni29  1  0.524771  0.539438  0.587466  1
  Ni  Ni30  1  0.759791  0.009513  0.608857  1
  Ni  Ni31  1  0.387715  0.265097  0.605007  1
  Ni  Ni32  1  0.622369  0.734658  0.626272  1
  Ni  Ni33  1  0.993578  0.477120  0.631472  1
  Ni  Ni34  1  0.229127  0.948260  0.652398  1
  Ni  Ni35  1  0.856607  0.202826  0.648392  1
  Ni  Ni36  1  0.092377  0.674866  0.669121  1
  Ni  Ni37  1  0.462262  0.414604  0.675793  1
  Ni  Ni38  1  0.697906  0.885896  0.695739  1
  Ni  Ni39  1  0.325390  0.140199  0.691051  1
  Ni  Ni40  1  0.562502  0.615399  0.711026  1
