# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49197117
_cell_length_b   12.70538183
_cell_length_c   46.87849406
_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   2079.85003546
_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  0.003912  0.605326  0.297208  1
  Ni  Ni2  1  0.003912  0.219018  0.317471  1
  Ni  Ni3  1  0.003912  0.833614  0.338206  1
  Ni  Ni4  1  0.503912  0.333614  0.338206  1
  Ni  Ni5  1  0.503912  0.105326  0.297208  1
  Ni  Ni6  1  0.503912  0.719018  0.317471  1
  Ni  Ni7  1  0.503912  0.525841  0.327390  1
  Ni  Ni8  1  0.503912  0.296028  0.287583  1
  Ni  Ni9  1  0.503912  0.911532  0.306960  1
  Ni  Ni10  1  0.003912  0.411532  0.306960  1
  Ni  Ni11  1  0.003912  0.025841  0.327390  1
  Ni  Ni12  1  0.003912  0.796028  0.287583  1
  Ni  Ni13  1  0.003912  0.448642  0.358631  1
  Ni  Ni14  1  0.003912  0.063747  0.379435  1
  Ni  Ni15  1  0.003912  0.679146  0.400484  1
  Ni  Ni16  1  0.503912  0.179146  0.400484  1
  Ni  Ni17  1  0.503912  0.948642  0.358631  1
  Ni  Ni18  1  0.503912  0.563747  0.379435  1
  Ni  Ni19  1  0.503912  0.371634  0.390125  1
  Ni  Ni20  1  0.503912  0.140997  0.348350  1
  Ni  Ni21  1  0.503912  0.756213  0.369189  1
  Ni  Ni22  1  0.003912  0.256213  0.369189  1
  Ni  Ni23  1  0.003912  0.871634  0.390125  1
  Ni  Ni24  1  0.003912  0.640997  0.348350  1
  Ni  Ni25  1  0.003912  0.294506  0.421394  1
  Ni  Ni26  1  0.003912  0.909858  0.442288  1
  Ni  Ni27  1  0.003912  0.525140  0.463144  1
  Ni  Ni28  1  0.503912  0.025140  0.463144  1
  Ni  Ni29  1  0.503912  0.794506  0.421394  1
  Ni  Ni30  1  0.503912  0.409858  0.442288  1
  Ni  Ni31  1  0.503912  0.217451  0.452706  1
  Ni  Ni32  1  0.503912  0.986890  0.410885  1
  Ni  Ni33  1  0.503912  0.602116  0.431768  1
  Ni  Ni34  1  0.003912  0.102116  0.431768  1
  Ni  Ni35  1  0.003912  0.717451  0.452706  1
  Ni  Ni36  1  0.003912  0.486890  0.410885  1
  Ni  Ni37  1  0.003912  0.140419  0.484034  1
  Ni  Ni38  1  0.003912  0.755728  0.504929  1
  Ni  Ni39  1  0.003912  0.371054  0.525822  1
  Ni  Ni40  1  0.503912  0.871054  0.525822  1
  Ni  Ni41  1  0.503912  0.640419  0.484034  1
  Ni  Ni42  1  0.503912  0.255728  0.504929  1
  Ni  Ni43  1  0.503912  0.063420  0.515394  1
  Ni  Ni44  1  0.503912  0.832784  0.473606  1
  Ni  Ni45  1  0.503912  0.448111  0.494499  1
  Ni  Ni46  1  0.003912  0.948111  0.494499  1
  Ni  Ni47  1  0.003912  0.563420  0.515394  1
  Ni  Ni48  1  0.003912  0.332784  0.473606  1
  Ni  Ni49  1  0.003912  0.986387  0.546722  1
  Ni  Ni50  1  0.003912  0.601723  0.567660  1
  Ni  Ni51  1  0.003912  0.216949  0.588543  1
  Ni  Ni52  1  0.503912  0.716949  0.588543  1
  Ni  Ni53  1  0.503912  0.486387  0.546722  1
  Ni  Ni54  1  0.503912  0.101723  0.567660  1
  Ni  Ni55  1  0.503912  0.909332  0.578034  1
  Ni  Ni56  1  0.503912  0.678698  0.536284  1
  Ni  Ni57  1  0.503912  0.293980  0.557140  1
  Ni  Ni58  1  0.003912  0.793980  0.557140  1
  Ni  Ni59  1  0.003912  0.409332  0.578034  1
  Ni  Ni60  1  0.003912  0.178698  0.536284  1
  Ni  Ni61  1  0.003912  0.832205  0.609303  1
  Ni  Ni62  1  0.003912  0.447626  0.630239  1
  Ni  Ni63  1  0.003912  0.062841  0.651078  1
  Ni  Ni64  1  0.503912  0.562841  0.651078  1
  Ni  Ni65  1  0.503912  0.332205  0.609303  1
  Ni  Ni66  1  0.503912  0.947626  0.630239  1
  Ni  Ni67  1  0.503912  0.755197  0.640797  1
  Ni  Ni68  1  0.503912  0.524693  0.598944  1
  Ni  Ni69  1  0.503912  0.140092  0.619993  1
  Ni  Ni70  1  0.003912  0.640092  0.619993  1
  Ni  Ni71  1  0.003912  0.255197  0.640797  1
  Ni  Ni72  1  0.003912  0.024693  0.598944  1
  Ni  Ni73  1  0.003912  0.677997  0.672038  1
  Ni  Ni74  1  0.003912  0.292306  0.692468  1
  Ni  Ni75  1  0.003912  0.907810  0.711845  1
  Ni  Ni76  1  0.503912  0.407810  0.711845  1
  Ni  Ni77  1  0.503912  0.177997  0.672038  1
  Ni  Ni78  1  0.503912  0.792306  0.692468  1
  Ni  Ni79  1  0.503912  0.598513  0.702220  1
  Ni  Ni80  1  0.503912  0.370225  0.661222  1
  Ni  Ni81  1  0.503912  0.984821  0.681957  1
  Ni  Ni82  1  0.003912  0.484821  0.681957  1
  Ni  Ni83  1  0.003912  0.098513  0.702220  1
  Ni  Ni84  1  0.003912  0.870225  0.661222  1
