# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29579524
_cell_length_b   8.62189113
_cell_length_c   46.69397271
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.55783828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1674.79504622
_cell_formula_units_Z   68
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  0.012806  0.135421  0.287678  1
  Ni  Ni2  1  0.766997  0.624740  0.299927  1
  Ni  Ni3  1  0.470387  0.897412  0.281908  1
  Ni  Ni4  1  0.226235  0.376474  0.294256  1
  Ni  Ni5  1  0.525915  0.112640  0.313143  1
  Ni  Ni6  1  0.279668  0.602127  0.325555  1
  Ni  Ni7  1  0.985874  0.867831  0.306360  1
  Ni  Ni8  1  0.739400  0.357331  0.319535  1
  Ni  Ni9  1  0.038554  0.090010  0.339014  1
  Ni  Ni10  1  0.792730  0.579943  0.351964  1
  Ni  Ni11  1  0.496729  0.846090  0.332783  1
  Ni  Ni12  1  0.249881  0.335356  0.345696  1
  Ni  Ni13  1  0.549589  0.068873  0.365334  1
  Ni  Ni14  1  0.304555  0.558012  0.378234  1
  Ni  Ni15  1  0.006731  0.824184  0.358655  1
  Ni  Ni16  1  0.761575  0.313191  0.371819  1
  Ni  Ni17  1  0.060828  0.046666  0.391706  1
  Ni  Ni18  1  0.816055  0.535682  0.404768  1
  Ni  Ni19  1  0.517635  0.802147  0.385199  1
  Ni  Ni20  1  0.272752  0.291290  0.398304  1
  Ni  Ni21  1  0.571976  0.024706  0.418104  1
  Ni  Ni22  1  0.327281  0.513801  0.431169  1
  Ni  Ni23  1  0.028552  0.780116  0.411462  1
  Ni  Ni24  1  0.783874  0.269214  0.424648  1
  Ni  Ni25  1  0.083060  0.002644  0.444478  1
  Ni  Ni26  1  0.838453  0.491711  0.457610  1
  Ni  Ni27  1  0.539585  0.758120  0.437908  1
  Ni  Ni28  1  0.294947  0.247221  0.451065  1
  Ni  Ni29  1  0.594101  0.980668  0.470877  1
  Ni  Ni30  1  0.349534  0.469731  0.484016  1
  Ni  Ni31  1  0.050574  0.736144  0.464273  1
  Ni  Ni32  1  0.806015  0.225193  0.477442  1
  Ni  Ni33  1  0.105147  0.958653  0.497260  1
  Ni  Ni34  1  0.860587  0.447709  0.510418  1
  Ni  Ni35  1  0.561617  0.714147  0.490687  1
  Ni  Ni36  1  0.317057  0.203203  0.503845  1
  Ni  Ni37  1  0.616189  0.936664  0.523663  1
  Ni  Ni38  1  0.371630  0.425712  0.536832  1
  Ni  Ni39  1  0.072669  0.692125  0.517089  1
  Ni  Ni40  1  0.828103  0.181188  0.530227  1
  Ni  Ni41  1  0.127257  0.914635  0.550039  1
  Ni  Ni42  1  0.882619  0.403736  0.563197  1
  Ni  Ni43  1  0.583751  0.670145  0.543495  1
  Ni  Ni44  1  0.339144  0.159213  0.556627  1
  Ni  Ni45  1  0.638330  0.892643  0.576456  1
  Ni  Ni46  1  0.393652  0.381740  0.589642  1
  Ni  Ni47  1  0.094923  0.648055  0.569935  1
  Ni  Ni48  1  0.850228  0.137150  0.583001  1
  Ni  Ni49  1  0.149452  0.870566  0.602800  1
  Ni  Ni50  1  0.904569  0.359709  0.615906  1
  Ni  Ni51  1  0.606149  0.626174  0.596336  1
  Ni  Ni52  1  0.361376  0.115190  0.609399  1
  Ni  Ni53  1  0.660628  0.848665  0.629285  1
  Ni  Ni54  1  0.415473  0.337673  0.642449  1
  Ni  Ni55  1  0.117648  0.603844  0.622870  1
  Ni  Ni56  1  0.872614  0.092984  0.635771  1
  Ni  Ni57  1  0.172323  0.826500  0.655409  1
  Ni  Ni58  1  0.925474  0.315766  0.668322  1
  Ni  Ni59  1  0.629474  0.581913  0.649141  1
  Ni  Ni60  1  0.383650  0.071847  0.662090  1
  Ni  Ni61  1  0.682804  0.804526  0.681570  1
  Ni  Ni62  1  0.436329  0.294025  0.694744  1
  Ni  Ni63  1  0.142536  0.559730  0.675549  1
  Ni  Ni64  1  0.896289  0.049217  0.687962  1
  Ni  Ni65  1  0.195969  0.785382  0.706849  1
  Ni  Ni66  1  0.951817  0.264444  0.719197  1
  Ni  Ni67  1  0.655207  0.537117  0.701178  1
  Ni  Ni68  1  0.409398  0.026435  0.713426  1
