# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08325211
_cell_length_b   10.76977749
_cell_length_c   46.03589125
_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   2024.46131169
_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  0.253225  0.517044  0.297708  1
  Ni  Ni2  1  0.253225  0.300727  0.278241  1
  Ni  Ni3  1  0.253225  0.911638  0.288170  1
  Ni  Ni4  1  0.753225  0.384481  0.301000  1
  Ni  Ni5  1  0.753225  0.171085  0.281288  1
  Ni  Ni6  1  0.753225  0.779408  0.291686  1
  Ni  Ni7  1  0.253225  0.332500  0.330213  1
  Ni  Ni8  1  0.253225  0.119983  0.309092  1
  Ni  Ni9  1  0.253225  0.727148  0.319156  1
  Ni  Ni10  1  0.753225  0.200692  0.333726  1
  Ni  Ni11  1  0.753225  0.987965  0.312417  1
  Ni  Ni12  1  0.753225  0.593920  0.322590  1
  Ni  Ni13  1  0.253225  0.147908  0.362360  1
  Ni  Ni14  1  0.253225  0.936359  0.341112  1
  Ni  Ni15  1  0.253225  0.542803  0.351350  1
  Ni  Ni16  1  0.753225  0.015654  0.365915  1
  Ni  Ni17  1  0.753225  0.804489  0.344559  1
  Ni  Ni18  1  0.753225  0.410494  0.354964  1
  Ni  Ni19  1  0.253225  0.963701  0.394696  1
  Ni  Ni20  1  0.253225  0.752733  0.373046  1
  Ni  Ni21  1  0.253225  0.358791  0.383819  1
  Ni  Ni22  1  0.753225  0.831193  0.398262  1
  Ni  Ni23  1  0.753225  0.620401  0.376558  1
  Ni  Ni24  1  0.753225  0.226285  0.387500  1
  Ni  Ni25  1  0.253225  0.779595  0.426938  1
  Ni  Ni26  1  0.253225  0.569096  0.405330  1
  Ni  Ni27  1  0.253225  0.174478  0.416170  1
  Ni  Ni28  1  0.753225  0.647057  0.430538  1
  Ni  Ni29  1  0.753225  0.436619  0.408985  1
  Ni  Ni30  1  0.753225  0.041908  0.419812  1
  Ni  Ni31  1  0.253225  0.595534  0.459245  1
  Ni  Ni32  1  0.253225  0.385028  0.437694  1
  Ni  Ni33  1  0.253225  0.990247  0.448506  1
  Ni  Ni34  1  0.753225  0.462991  0.462902  1
  Ni  Ni35  1  0.753225  0.252474  0.441371  1
  Ni  Ni36  1  0.753225  0.857663  0.452139  1
  Ni  Ni37  1  0.253225  0.411401  0.491583  1
  Ni  Ni38  1  0.253225  0.200837  0.470038  1
  Ni  Ni39  1  0.253225  0.806071  0.480819  1
  Ni  Ni40  1  0.753225  0.278827  0.495244  1
  Ni  Ni41  1  0.753225  0.068253  0.473698  1
  Ni  Ni42  1  0.753225  0.673511  0.484461  1
  Ni  Ni43  1  0.253225  0.227207  0.523915  1
  Ni  Ni44  1  0.253225  0.016633  0.502369  1
  Ni  Ni45  1  0.253225  0.621949  0.513153  1
  Ni  Ni46  1  0.753225  0.094623  0.527576  1
  Ni  Ni47  1  0.753225  0.884059  0.506030  1
  Ni  Ni48  1  0.753225  0.489389  0.516794  1
  Ni  Ni49  1  0.253225  0.042986  0.556242  1
  Ni  Ni50  1  0.253225  0.832469  0.534712  1
  Ni  Ni51  1  0.253225  0.437797  0.545475  1
  Ni  Ni52  1  0.753225  0.910432  0.559919  1
  Ni  Ni53  1  0.753225  0.699926  0.538368  1
  Ni  Ni54  1  0.753225  0.305213  0.549107  1
  Ni  Ni55  1  0.253225  0.858841  0.588628  1
  Ni  Ni56  1  0.253225  0.648403  0.567075  1
  Ni  Ni57  1  0.253225  0.253552  0.577801  1
  Ni  Ni58  1  0.753225  0.726364  0.592284  1
  Ni  Ni59  1  0.753225  0.515864  0.570675  1
  Ni  Ni60  1  0.753225  0.120982  0.581443  1
  Ni  Ni61  1  0.253225  0.675059  0.621056  1
  Ni  Ni62  1  0.253225  0.464267  0.599351  1
  Ni  Ni63  1  0.253225  0.069175  0.610114  1
  Ni  Ni64  1  0.753225  0.542727  0.624567  1
  Ni  Ni65  1  0.753225  0.331759  0.602918  1
  Ni  Ni66  1  0.753225  0.936669  0.613794  1
  Ni  Ni67  1  0.253225  0.490971  0.653054  1
  Ni  Ni68  1  0.253225  0.279806  0.631698  1
  Ni  Ni69  1  0.253225  0.884966  0.642649  1
  Ni  Ni70  1  0.753225  0.359101  0.656501  1
  Ni  Ni71  1  0.753225  0.147552  0.635253  1
  Ni  Ni72  1  0.753225  0.752657  0.646264  1
  Ni  Ni73  1  0.253225  0.307495  0.685196  1
  Ni  Ni74  1  0.253225  0.094768  0.663888  1
  Ni  Ni75  1  0.253225  0.701540  0.675023  1
  Ni  Ni76  1  0.753225  0.175477  0.688522  1
  Ni  Ni77  1  0.753225  0.962960  0.667400  1
  Ni  Ni78  1  0.753225  0.568312  0.678457  1
  Ni  Ni79  1  0.253225  0.124375  0.716325  1
  Ni  Ni80  1  0.253225  0.910979  0.696613  1
  Ni  Ni81  1  0.253225  0.516052  0.705927  1
  Ni  Ni82  1  0.753225  0.994733  0.719372  1
  Ni  Ni83  1  0.753225  0.778416  0.699906  1
  Ni  Ni84  1  0.753225  0.383822  0.709443  1
