# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05768153
_cell_length_b   10.77800444
_cell_length_c   46.14150059
_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   2017.93898521
_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  0.252873  0.519904  0.295306  1
  Ni  Ni2  1  0.252873  0.301730  0.275648  1
  Ni  Ni3  1  0.252873  0.913198  0.285324  1
  Ni  Ni4  1  0.752873  0.384765  0.300070  1
  Ni  Ni5  1  0.752873  0.165157  0.278534  1
  Ni  Ni6  1  0.752873  0.775005  0.289026  1
  Ni  Ni7  1  0.252873  0.332068  0.329319  1
  Ni  Ni8  1  0.252873  0.119711  0.308228  1
  Ni  Ni9  1  0.252873  0.727010  0.318384  1
  Ni  Ni10  1  0.752873  0.200273  0.332804  1
  Ni  Ni11  1  0.752873  0.987016  0.311659  1
  Ni  Ni12  1  0.752873  0.593999  0.321844  1
  Ni  Ni13  1  0.252873  0.147384  0.361435  1
  Ni  Ni14  1  0.252873  0.936014  0.340318  1
  Ni  Ni15  1  0.252873  0.541908  0.350508  1
  Ni  Ni16  1  0.752873  0.015436  0.365035  1
  Ni  Ni17  1  0.752873  0.804257  0.343796  1
  Ni  Ni18  1  0.752873  0.409956  0.354181  1
  Ni  Ni19  1  0.252873  0.963047  0.393705  1
  Ni  Ni20  1  0.252873  0.751982  0.372160  1
  Ni  Ni21  1  0.252873  0.358040  0.382856  1
  Ni  Ni22  1  0.752873  0.830801  0.397273  1
  Ni  Ni23  1  0.752873  0.619980  0.375651  1
  Ni  Ni24  1  0.752873  0.225815  0.386500  1
  Ni  Ni25  1  0.252873  0.778904  0.425867  1
  Ni  Ni26  1  0.252873  0.568368  0.404333  1
  Ni  Ni27  1  0.252873  0.173790  0.415101  1
  Ni  Ni28  1  0.752873  0.646634  0.429450  1
  Ni  Ni29  1  0.752873  0.436173  0.407967  1
  Ni  Ni30  1  0.752873  0.041494  0.418744  1
  Ni  Ni31  1  0.252873  0.594829  0.458075  1
  Ni  Ni32  1  0.252873  0.384312  0.436579  1
  Ni  Ni33  1  0.252873  0.989569  0.447352  1
  Ni  Ni34  1  0.752873  0.462548  0.461702  1
  Ni  Ni35  1  0.752873  0.252024  0.440223  1
  Ni  Ni36  1  0.752873  0.857247  0.450969  1
  Ni  Ni37  1  0.252873  0.410698  0.490306  1
  Ni  Ni38  1  0.252873  0.200146  0.468818  1
  Ni  Ni39  1  0.252873  0.805395  0.479574  1
  Ni  Ni40  1  0.752873  0.278389  0.493939  1
  Ni  Ni41  1  0.752873  0.067832  0.472460  1
  Ni  Ni42  1  0.752873  0.673095  0.483192  1
  Ni  Ni43  1  0.252873  0.226523  0.522536  1
  Ni  Ni44  1  0.252873  0.015966  0.501057  1
  Ni  Ni45  1  0.252873  0.621260  0.511804  1
  Ni  Ni46  1  0.752873  0.094209  0.526178  1
  Ni  Ni47  1  0.752873  0.883657  0.504690  1
  Ni  Ni48  1  0.752873  0.488960  0.515422  1
  Ni  Ni49  1  0.252873  0.042331  0.554774  1
  Ni  Ni50  1  0.252873  0.831807  0.533294  1
  Ni  Ni51  1  0.252873  0.437109  0.544027  1
  Ni  Ni52  1  0.752873  0.910043  0.558417  1
  Ni  Ni53  1  0.752873  0.699526  0.536921  1
  Ni  Ni54  1  0.752873  0.304786  0.547644  1
  Ni  Ni55  1  0.252873  0.858182  0.587030  1
  Ni  Ni56  1  0.252873  0.647721  0.565547  1
  Ni  Ni57  1  0.252873  0.252861  0.576252  1
  Ni  Ni58  1  0.752873  0.725987  0.590663  1
  Ni  Ni59  1  0.752873  0.515451  0.569129  1
  Ni  Ni60  1  0.752873  0.120566  0.579896  1
  Ni  Ni61  1  0.252873  0.674375  0.619345  1
  Ni  Ni62  1  0.252873  0.463554  0.597723  1
  Ni  Ni63  1  0.252873  0.068540  0.608496  1
  Ni  Ni64  1  0.752873  0.542373  0.622836  1
  Ni  Ni65  1  0.752873  0.331309  0.601292  1
  Ni  Ni66  1  0.752873  0.936315  0.612140  1
  Ni  Ni67  1  0.252873  0.490098  0.651200  1
  Ni  Ni68  1  0.252873  0.278919  0.629961  1
  Ni  Ni69  1  0.252873  0.884399  0.640815  1
  Ni  Ni70  1  0.752873  0.358341  0.654679  1
  Ni  Ni71  1  0.752873  0.146971  0.633561  1
  Ni  Ni72  1  0.752873  0.752447  0.644489  1
  Ni  Ni73  1  0.252873  0.307340  0.683337  1
  Ni  Ni74  1  0.252873  0.094082  0.662192  1
  Ni  Ni75  1  0.252873  0.700356  0.673152  1
  Ni  Ni76  1  0.752873  0.174644  0.686768  1
  Ni  Ni77  1  0.752873  0.962287  0.665677  1
  Ni  Ni78  1  0.752873  0.567345  0.676612  1
  Ni  Ni79  1  0.252873  0.129198  0.716462  1
  Ni  Ni80  1  0.252873  0.909590  0.694927  1
  Ni  Ni81  1  0.252873  0.519350  0.705971  1
  Ni  Ni82  1  0.752873  0.992625  0.719348  1
  Ni  Ni83  1  0.752873  0.774451  0.699690  1
  Ni  Ni84  1  0.752873  0.381157  0.709672  1
