# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47170471
_cell_length_b   8.53081824
_cell_length_c   47.97497054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.68067212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1000.93922705
_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  0.273608  0.958297  0.284012  1
  Ni  Ni2  1  0.040728  0.422322  0.304273  1
  Ni  Ni3  1  0.412260  0.679633  0.300474  1
  Ni  Ni4  1  0.177809  0.148598  0.322227  1
  Ni  Ni5  1  0.806814  0.890997  0.326827  1
  Ni  Ni6  1  0.571643  0.360724  0.347986  1
  Ni  Ni7  1  0.944399  0.615390  0.344225  1
  Ni  Ni8  1  0.710032  0.084150  0.365948  1
  Ni  Ni9  1  0.338185  0.827932  0.369963  1
  Ni  Ni10  1  0.103821  0.296451  0.391469  1
  Ni  Ni11  1  0.476164  0.551857  0.387749  1
  Ni  Ni12  1  0.241993  0.020207  0.409490  1
  Ni  Ni13  1  0.869888  0.764408  0.413382  1
  Ni  Ni14  1  0.635680  0.232752  0.435017  1
  Ni  Ni15  1  0.008000  0.488173  0.431263  1
  Ni  Ni16  1  0.773844  0.956480  0.453008  1
  Ni  Ni17  1  0.401674  0.700786  0.456848  1
  Ni  Ni18  1  0.167516  0.169072  0.478548  1
  Ni  Ni19  1  0.539811  0.424536  0.474781  1
  Ni  Ni20  1  0.305670  0.892803  0.496511  1
  Ni  Ni21  1  0.933480  0.637144  0.500338  1
  Ni  Ni22  1  0.699339  0.105411  0.522069  1
  Ni  Ni23  1  0.071634  0.360875  0.518302  1
  Ni  Ni24  1  0.837476  0.829161  0.540001  1
  Ni  Ni25  1  0.465306  0.573467  0.543841  1
  Ni  Ni26  1  0.231150  0.041774  0.565586  1
  Ni  Ni27  1  0.603470  0.297194  0.561832  1
  Ni  Ni28  1  0.369262  0.765539  0.583467  1
  Ni  Ni29  1  0.997157  0.509740  0.587360  1
  Ni  Ni30  1  0.762986  0.978090  0.609101  1
  Ni  Ni31  1  0.135329  0.233496  0.605380  1
  Ni  Ni32  1  0.900965  0.702015  0.626886  1
  Ni  Ni33  1  0.529118  0.445797  0.630901  1
  Ni  Ni34  1  0.294751  0.914557  0.652624  1
  Ni  Ni35  1  0.667507  0.169223  0.648863  1
  Ni  Ni36  1  0.432336  0.638950  0.670023  1
  Ni  Ni37  1  0.061341  0.381348  0.674622  1
  Ni  Ni38  1  0.826890  0.850314  0.696375  1
  Ni  Ni39  1  0.198422  0.107625  0.692576  1
  Ni  Ni40  1  0.965542  0.571650  0.712838  1
