# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97280604
_cell_length_b   11.06609318
_cell_length_c   48.53702379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni108
_cell_volume   2603.33938447
_cell_formula_units_Z   108
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  0.382674  0.841429  0.310727  1
  Ni  Ni2  1  0.068260  0.218096  0.279022  1
  Ni  Ni3  1  0.222163  0.523881  0.294060  1
  Ni  Ni4  1  0.063577  0.709092  0.280564  1
  Ni  Ni5  1  0.222729  0.027204  0.293820  1
  Ni  Ni6  1  0.380450  0.342892  0.312194  1
  Ni  Ni7  1  0.036777  0.655638  0.328602  1
  Ni  Ni8  1  0.723422  0.028575  0.293908  1
  Ni  Ni9  1  0.880865  0.343787  0.312076  1
  Ni  Ni10  1  0.876879  0.841451  0.310745  1
  Ni  Ni11  1  0.567923  0.218090  0.279021  1
  Ni  Ni12  1  0.719740  0.523963  0.294054  1
  Ni  Ni13  1  0.852881  0.788916  0.361040  1
  Ni  Ni14  1  0.537401  0.157091  0.328081  1
  Ni  Ni15  1  0.695644  0.474107  0.345021  1
  Ni  Ni16  1  0.537364  0.656837  0.326956  1
  Ni  Ni17  1  0.695734  0.973595  0.344459  1
  Ni  Ni18  1  0.853293  0.288831  0.361476  1
  Ni  Ni19  1  0.511612  0.605535  0.377854  1
  Ni  Ni20  1  0.195263  0.972617  0.344224  1
  Ni  Ni21  1  0.353276  0.288783  0.361531  1
  Ni  Ni22  1  0.353808  0.788919  0.361034  1
  Ni  Ni23  1  0.037647  0.157094  0.328082  1
  Ni  Ni24  1  0.196304  0.474093  0.345024  1
  Ni  Ni25  1  0.327045  0.736179  0.411337  1
  Ni  Ni26  1  0.011119  0.104077  0.377945  1
  Ni  Ni27  1  0.169189  0.420493  0.394810  1
  Ni  Ni28  1  0.011386  0.605075  0.378303  1
  Ni  Ni29  1  0.168748  0.919860  0.394483  1
  Ni  Ni30  1  0.326623  0.235690  0.411389  1
  Ni  Ni31  1  0.984631  0.551760  0.428153  1
  Ni  Ni32  1  0.668791  0.919956  0.394541  1
  Ni  Ni33  1  0.826624  0.235692  0.411362  1
  Ni  Ni34  1  0.826701  0.736177  0.411339  1
  Ni  Ni35  1  0.510661  0.104078  0.377945  1
  Ni  Ni36  1  0.668925  0.420497  0.394809  1
  Ni  Ni37  1  0.800144  0.682985  0.461413  1
  Ni  Ni38  1  0.484345  0.051259  0.427970  1
  Ni  Ni39  1  0.642284  0.367193  0.444740  1
  Ni  Ni40  1  0.484693  0.551882  0.428030  1
  Ni  Ni41  1  0.642340  0.867237  0.444699  1
  Ni  Ni42  1  0.800056  0.182719  0.461370  1
  Ni  Ni43  1  0.457944  0.498538  0.478076  1
  Ni  Ni44  1  0.142328  0.867207  0.444680  1
  Ni  Ni45  1  0.300054  0.182715  0.461379  1
  Ni  Ni46  1  0.300238  0.682986  0.461413  1
  Ni  Ni47  1  0.984417  0.051260  0.427970  1
  Ni  Ni48  1  0.142351  0.367191  0.444741  1
  Ni  Ni49  1  0.273542  0.629787  0.511438  1
  Ni  Ni50  1  0.957916  0.998478  0.478059  1
  Ni  Ni51  1  0.115728  0.314119  0.494757  1
  Ni  Ni52  1  0.957932  0.498516  0.478104  1
  Ni  Ni53  1  0.115751  0.814197  0.494753  1
  Ni  Ni54  1  0.273541  0.129821  0.511434  1
  Ni  Ni55  1  0.931338  0.445457  0.528118  1
  Ni  Ni56  1  0.615754  0.814207  0.494758  1
  Ni  Ni57  1  0.773545  0.129829  0.511435  1
  Ni  Ni58  1  0.773507  0.629787  0.511437  1
  Ni  Ni59  1  0.457907  0.998478  0.478059  1
  Ni  Ni60  1  0.615694  0.314120  0.494757  1
  Ni  Ni61  1  0.746869  0.576682  0.561487  1
  Ni  Ni62  1  0.431361  0.945490  0.528110  1
  Ni  Ni63  1  0.589139  0.261194  0.544821  1
  Ni  Ni64  1  0.431329  0.445436  0.528139  1
  Ni  Ni65  1  0.589089  0.761007  0.544773  1
  Ni  Ni66  1  0.747012  0.076897  0.561484  1
  Ni  Ni67  1  0.404771  0.392476  0.578268  1
  Ni  Ni68  1  0.089089  0.761004  0.544776  1
  Ni  Ni69  1  0.246998  0.076870  0.561468  1
  Ni  Ni70  1  0.246936  0.576681  0.561487  1
  Ni  Ni71  1  0.931347  0.945491  0.528110  1
  Ni  Ni72  1  0.089229  0.261194  0.544821  1
  Ni  Ni73  1  0.220445  0.523713  0.611602  1
  Ni  Ni74  1  0.904604  0.892227  0.578097  1
  Ni  Ni75  1  0.062876  0.208405  0.594889  1
  Ni  Ni76  1  0.904824  0.392588  0.578154  1
  Ni  Ni77  1  0.062419  0.707834  0.594830  1
  Ni  Ni78  1  0.220230  0.023523  0.611365  1
  Ni  Ni79  1  0.878576  0.340285  0.628146  1
  Ni  Ni80  1  0.562415  0.707829  0.594813  1
  Ni  Ni81  1  0.720275  0.023613  0.611416  1
  Ni  Ni82  1  0.720198  0.523716  0.611601  1
  Ni  Ni83  1  0.404688  0.892227  0.578097  1
  Ni  Ni84  1  0.562537  0.208404  0.594890  1
  Ni  Ni85  1  0.694187  0.472143  0.661983  1
  Ni  Ni86  1  0.378189  0.838996  0.628106  1
  Ni  Ni87  1  0.535361  0.154742  0.644767  1
  Ni  Ni88  1  0.378387  0.339902  0.628578  1
  Ni  Ni89  1  0.535579  0.654402  0.644908  1
  Ni  Ni90  1  0.694078  0.971469  0.661381  1
  Ni  Ni91  1  0.350966  0.285327  0.678637  1
  Ni  Ni92  1  0.035593  0.654415  0.644940  1
  Ni  Ni93  1  0.193562  0.970410  0.661163  1
  Ni  Ni94  1  0.194635  0.472130  0.661987  1
  Ni  Ni95  1  0.877672  0.838996  0.628107  1
  Ni  Ni96  1  0.036152  0.154744  0.644763  1
  Ni  Ni97  1  0.166892  0.414619  0.711459  1
  Ni  Ni98  1  0.851237  0.786281  0.677869  1
  Ni  Ni99  1  0.012127  0.101041  0.695076  1
  Ni  Ni100  1  0.851607  0.286631  0.677248  1
  Ni  Ni101  1  0.010499  0.604555  0.696104  1
  Ni  Ni102  1  0.165047  0.913443  0.710884  1
  Ni  Ni103  1  0.823776  0.231120  0.725465  1
  Ni  Ni104  1  0.510984  0.605578  0.696034  1
  Ni  Ni105  1  0.666169  0.915687  0.710941  1
  Ni  Ni106  1  0.664125  0.414693  0.711451  1
  Ni  Ni107  1  0.351680  0.786283  0.677868  1
  Ni  Ni108  1  0.505436  0.101058  0.695089  1
