# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09515039
_cell_length_b   10.75987579
_cell_length_c   46.03526370
_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   2028.46607615
_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  0.252652  0.519113  0.296580  1
  Ni  Ni2  1  0.252652  0.300293  0.277215  1
  Ni  Ni3  1  0.252652  0.912741  0.286974  1
  Ni  Ni4  1  0.752652  0.384381  0.300362  1
  Ni  Ni5  1  0.752652  0.167986  0.280178  1
  Ni  Ni6  1  0.752652  0.777050  0.290589  1
  Ni  Ni7  1  0.252652  0.333141  0.329799  1
  Ni  Ni8  1  0.252652  0.120316  0.308760  1
  Ni  Ni9  1  0.252652  0.728142  0.318822  1
  Ni  Ni10  1  0.752652  0.200552  0.333339  1
  Ni  Ni11  1  0.752652  0.986793  0.312095  1
  Ni  Ni12  1  0.752652  0.593518  0.322339  1
  Ni  Ni13  1  0.252652  0.148223  0.362022  1
  Ni  Ni14  1  0.252652  0.936742  0.340861  1
  Ni  Ni15  1  0.252652  0.542867  0.351019  1
  Ni  Ni16  1  0.752652  0.015748  0.365604  1
  Ni  Ni17  1  0.752652  0.804276  0.344328  1
  Ni  Ni18  1  0.752652  0.410092  0.354704  1
  Ni  Ni19  1  0.252652  0.963755  0.394338  1
  Ni  Ni20  1  0.252652  0.752731  0.372743  1
  Ni  Ni21  1  0.252652  0.358824  0.383445  1
  Ni  Ni22  1  0.752652  0.831206  0.397909  1
  Ni  Ni23  1  0.752652  0.620236  0.376258  1
  Ni  Ni24  1  0.752652  0.226198  0.387141  1
  Ni  Ni25  1  0.252652  0.779548  0.426535  1
  Ni  Ni26  1  0.252652  0.569029  0.404955  1
  Ni  Ni27  1  0.252652  0.174477  0.415764  1
  Ni  Ni28  1  0.752652  0.647020  0.430128  1
  Ni  Ni29  1  0.752652  0.436529  0.408616  1
  Ni  Ni30  1  0.752652  0.041899  0.419421  1
  Ni  Ni31  1  0.252652  0.595454  0.458784  1
  Ni  Ni32  1  0.252652  0.384960  0.437259  1
  Ni  Ni33  1  0.252652  0.990198  0.448061  1
  Ni  Ni34  1  0.752652  0.462941  0.462435  1
  Ni  Ni35  1  0.752652  0.252424  0.440937  1
  Ni  Ni36  1  0.752652  0.857632  0.451692  1
  Ni  Ni37  1  0.252652  0.411309  0.491066  1
  Ni  Ni38  1  0.252652  0.200762  0.469553  1
  Ni  Ni39  1  0.252652  0.805992  0.480325  1
  Ni  Ni40  1  0.752652  0.278766  0.494725  1
  Ni  Ni41  1  0.752652  0.068208  0.473218  1
  Ni  Ni42  1  0.752652  0.673461  0.483959  1
  Ni  Ni43  1  0.252652  0.227103  0.523345  1
  Ni  Ni44  1  0.252652  0.016546  0.501838  1
  Ni  Ni45  1  0.252652  0.621850  0.512603  1
  Ni  Ni46  1  0.752652  0.094549  0.527009  1
  Ni  Ni47  1  0.752652  0.884003  0.505496  1
  Ni  Ni48  1  0.752652  0.489319  0.516238  1
  Ni  Ni49  1  0.252652  0.042887  0.555625  1
  Ni  Ni50  1  0.252652  0.832371  0.534127  1
  Ni  Ni51  1  0.252652  0.437679  0.544870  1
  Ni  Ni52  1  0.752652  0.910352  0.559303  1
  Ni  Ni53  1  0.752652  0.699858  0.537778  1
  Ni  Ni54  1  0.752652  0.305114  0.548502  1
  Ni  Ni55  1  0.252652  0.858783  0.587946  1
  Ni  Ni56  1  0.252652  0.648291  0.566435  1
  Ni  Ni57  1  0.252652  0.253412  0.577142  1
  Ni  Ni58  1  0.752652  0.726282  0.591608  1
  Ni  Ni59  1  0.752652  0.515763  0.570027  1
  Ni  Ni60  1  0.752652  0.120834  0.580798  1
  Ni  Ni61  1  0.252652  0.675076  0.620305  1
  Ni  Ni62  1  0.252652  0.464105  0.598654  1
  Ni  Ni63  1  0.252652  0.069113  0.609422  1
  Ni  Ni64  1  0.752652  0.542580  0.623820  1
  Ni  Ni65  1  0.752652  0.331556  0.602225  1
  Ni  Ni66  1  0.752652  0.936487  0.613118  1
  Ni  Ni67  1  0.252652  0.491035  0.652235  1
  Ni  Ni68  1  0.252652  0.279563  0.630959  1
  Ni  Ni69  1  0.252652  0.885219  0.641859  1
  Ni  Ni70  1  0.752652  0.358570  0.655701  1
  Ni  Ni71  1  0.752652  0.147088  0.634540  1
  Ni  Ni72  1  0.752652  0.752444  0.645543  1
  Ni  Ni73  1  0.252652  0.308519  0.684468  1
  Ni  Ni74  1  0.252652  0.094760  0.663223  1
  Ni  Ni75  1  0.252652  0.701794  0.674224  1
  Ni  Ni76  1  0.752652  0.174995  0.687803  1
  Ni  Ni77  1  0.752652  0.962171  0.666763  1
  Ni  Ni78  1  0.752652  0.567170  0.677741  1
  Ni  Ni79  1  0.252652  0.127325  0.716384  1
  Ni  Ni80  1  0.252652  0.910930  0.696200  1
  Ni  Ni81  1  0.252652  0.518261  0.705973  1
  Ni  Ni82  1  0.752652  0.995019  0.719348  1
  Ni  Ni83  1  0.752652  0.776199  0.699983  1
  Ni  Ni84  1  0.752652  0.382570  0.709589  1
