# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27741745
_cell_length_b   8.53367560
_cell_length_c   46.81890441
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.51783710
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1654.41940796
_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  0.149058  0.135020  0.285915  1
  Ni  Ni2  1  0.390171  0.622195  0.297512  1
  Ni  Ni3  1  0.365054  0.895297  0.280285  1
  Ni  Ni4  1  0.609026  0.376266  0.292108  1
  Ni  Ni5  1  0.641006  0.112312  0.311312  1
  Ni  Ni6  1  0.882431  0.600942  0.323413  1
  Ni  Ni7  1  0.852191  0.865197  0.304249  1
  Ni  Ni8  1  0.099199  0.356448  0.317477  1
  Ni  Ni9  1  0.129567  0.088060  0.337338  1
  Ni  Ni10  1  0.372928  0.577944  0.350046  1
  Ni  Ni11  1  0.342499  0.844244  0.331129  1
  Ni  Ni12  1  0.586707  0.333704  0.343881  1
  Ni  Ni13  1  0.618854  0.066901  0.363639  1
  Ni  Ni14  1  0.862574  0.555988  0.376390  1
  Ni  Ni15  1  0.831148  0.822019  0.356910  1
  Ni  Ni16  1  0.076225  0.311233  0.370012  1
  Ni  Ni17  1  0.107469  0.044470  0.389954  1
  Ni  Ni18  1  0.351535  0.533519  0.402907  1
  Ni  Ni19  1  0.320648  0.799891  0.383430  1
  Ni  Ni20  1  0.565571  0.289267  0.396484  1
  Ni  Ni21  1  0.596441  0.022467  0.416319  1
  Ni  Ni22  1  0.840791  0.511582  0.429319  1
  Ni  Ni23  1  0.809816  0.777846  0.409673  1
  Ni  Ni24  1  0.054583  0.267025  0.422813  1
  Ni  Ni25  1  0.085357  1.000318  0.442662  1
  Ni  Ni26  1  0.329788  0.489378  0.455739  1
  Ni  Ni27  1  0.298989  0.755782  0.436082  1
  Ni  Ni28  1  0.543637  0.244951  0.449209  1
  Ni  Ni29  1  0.574332  0.978253  0.469034  1
  Ni  Ni30  1  0.818841  0.467314  0.482136  1
  Ni  Ni31  1  0.788030  0.733738  0.462434  1
  Ni  Ni32  1  0.032613  0.222807  0.475570  1
  Ni  Ni33  1  0.063299  0.956140  0.495396  1
  Ni  Ni34  1  0.307838  0.445207  0.508522  1
  Ni  Ni35  1  0.277063  0.711653  0.488823  1
  Ni  Ni36  1  0.521602  0.200720  0.501949  1
  Ni  Ni37  1  0.552288  0.934053  0.521775  1
  Ni  Ni38  1  0.796871  0.423123  0.534912  1
  Ni  Ni39  1  0.766060  0.689547  0.515209  1
  Ni  Ni40  1  0.010569  0.178607  0.528311  1
  Ni  Ni41  1  0.041264  0.911909  0.548137  1
  Ni  Ni42  1  0.285912  0.401078  0.561263  1
  Ni  Ni43  1  0.255113  0.667482  0.541606  1
  Ni  Ni44  1  0.499544  0.156542  0.554684  1
  Ni  Ni45  1  0.530318  0.889836  0.574533  1
  Ni  Ni46  1  0.775085  0.379014  0.587672  1
  Ni  Ni47  1  0.744110  0.645279  0.568027  1
  Ni  Ni48  1  0.988461  0.134393  0.581027  1
  Ni  Ni49  1  0.019330  0.867593  0.600862  1
  Ni  Ni50  1  0.264253  0.356969  0.613915  1
  Ni  Ni51  1  0.233366  0.623342  0.594439  1
  Ni  Ni52  1  0.477433  0.112391  0.607391  1
  Ni  Ni53  1  0.508677  0.845628  0.627333  1
  Ni  Ni54  1  0.753753  0.334841  0.640435  1
  Ni  Ni55  1  0.722328  0.600873  0.620955  1
  Ni  Ni56  1  0.966047  0.089960  0.633706  1
  Ni  Ni57  1  0.998194  0.823157  0.653464  1
  Ni  Ni58  1  0.242402  0.312617  0.666216  1
  Ni  Ni59  1  0.211973  0.578917  0.647300  1
  Ni  Ni60  1  0.455334  0.068800  0.660007  1
  Ni  Ni61  1  0.485702  0.800412  0.679869  1
  Ni  Ni62  1  0.732711  0.291663  0.693097  1
  Ni  Ni63  1  0.702470  0.555918  0.673932  1
  Ni  Ni64  1  0.943895  0.044548  0.686033  1
  Ni  Ni65  1  0.975875  0.780594  0.705238  1
  Ni  Ni66  1  0.219847  0.261564  0.717060  1
  Ni  Ni67  1  0.194730  0.534666  0.699834  1
  Ni  Ni68  1  0.435843  0.021841  0.711431  1
