# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55073419
_cell_length_b   13.20964231
_cell_length_c   46.38839658
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.89105453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   4957.4387405
_cell_formula_units_Z   204
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  0.640591  0.696074  0.295851  1
  Ni  Ni2  1  0.140591  0.696074  0.295851  1
  Ni  Ni3  1  0.058700  0.037750  0.287750  1
  Ni  Ni4  1  0.485995  0.377685  0.280051  1
  Ni  Ni5  1  0.558700  0.037750  0.287750  1
  Ni  Ni6  1  0.985995  0.377685  0.280051  1
  Ni  Ni7  1  0.734561  0.537765  0.287749  1
  Ni  Ni8  1  0.234561  0.537765  0.287749  1
  Ni  Ni9  1  0.147153  0.877666  0.280053  1
  Ni  Ni10  1  0.310974  0.196082  0.295853  1
  Ni  Ni11  1  0.647153  0.877666  0.280053  1
  Ni  Ni12  1  0.810974  0.196082  0.295853  1
  Ni  Ni13  1  0.383283  0.678091  0.322392  1
  Ni  Ni14  1  0.883283  0.678091  0.322392  1
  Ni  Ni15  1  0.801975  0.017548  0.314058  1
  Ni  Ni16  1  0.224392  0.356152  0.305177  1
  Ni  Ni17  1  0.301975  0.017548  0.314058  1
  Ni  Ni18  1  0.724392  0.356152  0.305177  1
  Ni  Ni19  1  0.471062  0.517549  0.314059  1
  Ni  Ni20  1  0.971062  0.517549  0.314059  1
  Ni  Ni21  1  0.887232  0.856151  0.305181  1
  Ni  Ni22  1  0.050293  0.178087  0.322392  1
  Ni  Ni23  1  0.387232  0.856151  0.305181  1
  Ni  Ni24  1  0.550293  0.178087  0.322392  1
  Ni  Ni25  1  0.123650  0.658209  0.348981  1
  Ni  Ni26  1  0.623650  0.658209  0.348981  1
  Ni  Ni27  1  0.542420  0.997656  0.340333  1
  Ni  Ni28  1  0.964362  0.337159  0.331985  1
  Ni  Ni29  1  0.042420  0.997656  0.340333  1
  Ni  Ni30  1  0.464362  0.337159  0.331985  1
  Ni  Ni31  1  0.210722  0.497656  0.340333  1
  Ni  Ni32  1  0.710722  0.497656  0.340333  1
  Ni  Ni33  1  0.628277  0.837158  0.331987  1
  Ni  Ni34  1  0.790044  0.158208  0.348981  1
  Ni  Ni35  1  0.128277  0.837158  0.331987  1
  Ni  Ni36  1  0.290044  0.158208  0.348981  1
  Ni  Ni37  1  0.863624  0.638951  0.375169  1
  Ni  Ni38  1  0.363624  0.638951  0.375169  1
  Ni  Ni39  1  0.282771  0.978753  0.366564  1
  Ni  Ni40  1  0.704308  0.318431  0.357905  1
  Ni  Ni41  1  0.782771  0.978753  0.366564  1
  Ni  Ni42  1  0.204308  0.318431  0.357905  1
  Ni  Ni43  1  0.951464  0.478753  0.366564  1
  Ni  Ni44  1  0.451464  0.478753  0.366564  1
  Ni  Ni45  1  0.369604  0.818431  0.357907  1
  Ni  Ni46  1  0.530809  0.138951  0.375170  1
  Ni  Ni47  1  0.869604  0.818431  0.357907  1
  Ni  Ni48  1  0.030809  0.138951  0.375170  1
  Ni  Ni49  1  0.603692  0.619439  0.401642  1
  Ni  Ni50  1  0.103692  0.619439  0.401642  1
  Ni  Ni51  1  0.023025  0.959297  0.392914  1
  Ni  Ni52  1  0.443864  0.298932  0.384275  1
  Ni  Ni53  1  0.523025  0.959297  0.392914  1
  Ni  Ni54  1  0.943864  0.298932  0.384275  1
  Ni  Ni55  1  0.691752  0.459296  0.392914  1
  Ni  Ni56  1  0.191752  0.459296  0.392914  1
  Ni  Ni57  1  0.110547  0.798932  0.384276  1
  Ni  Ni58  1  0.271226  0.119438  0.401643  1
  Ni  Ni59  1  0.610547  0.798932  0.384276  1
  Ni  Ni60  1  0.771226  0.119438  0.401643  1
  Ni  Ni61  1  0.343965  0.600106  0.427964  1
  Ni  Ni62  1  0.843965  0.600106  0.427964  1
  Ni  Ni63  1  0.763418  0.939876  0.419245  1
  Ni  Ni64  1  0.183818  0.279551  0.410507  1
  Ni  Ni65  1  0.263418  0.939876  0.419245  1
  Ni  Ni66  1  0.683818  0.279551  0.410507  1
  Ni  Ni67  1  0.431936  0.439875  0.419245  1
  Ni  Ni68  1  0.931936  0.439875  0.419245  1
  Ni  Ni69  1  0.851210  0.779550  0.410508  1
  Ni  Ni70  1  0.011619  0.100106  0.427964  1
  Ni  Ni71  1  0.351210  0.779550  0.410508  1
  Ni  Ni72  1  0.511619  0.100106  0.427964  1
  Ni  Ni73  1  0.084211  0.580698  0.454334  1
  Ni  Ni74  1  0.584211  0.580698  0.454334  1
  Ni  Ni75  1  0.503771  0.920490  0.445575  1
  Ni  Ni76  1  0.924001  0.260229  0.436851  1
  Ni  Ni77  1  1.003771  0.920490  0.445575  1
  Ni  Ni78  1  0.424001  0.260229  0.436851  1
  Ni  Ni79  1  0.172196  0.420490  0.445575  1
  Ni  Ni80  1  0.672196  0.420490  0.445575  1
  Ni  Ni81  1  0.591705  0.760229  0.436852  1
  Ni  Ni82  1  0.751962  0.080697  0.454334  1
  Ni  Ni83  1  0.091705  0.760229  0.436852  1
  Ni  Ni84  1  0.251962  0.080697  0.454334  1
  Ni  Ni85  1  0.824493  0.561334  0.480670  1
  Ni  Ni86  1  0.324493  0.561334  0.480670  1
  Ni  Ni87  1  0.244130  0.901114  0.471918  1
  Ni  Ni88  1  0.664260  0.240867  0.463161  1
  Ni  Ni89  1  0.744130  0.901114  0.471918  1
  Ni  Ni90  1  0.164260  0.240867  0.463161  1
  Ni  Ni91  1  0.912457  0.401113  0.471918  1
  Ni  Ni92  1  0.412457  0.401113  0.471918  1
  Ni  Ni93  1  0.332081  0.740866  0.463162  1
  Ni  Ni94  1  0.492314  0.061334  0.480671  1
  Ni  Ni95  1  0.832081  0.740866  0.463162  1
  Ni  Ni96  1  0.992314  0.061334  0.480671  1
  Ni  Ni97  1  0.564794  0.541963  0.507009  1
  Ni  Ni98  1  0.064794  0.541963  0.507009  1
  Ni  Ni99  1  0.984451  0.881734  0.498254  1
  Ni  Ni100  1  0.404565  0.221505  0.489497  1
  Ni  Ni101  1  0.484451  0.881734  0.498254  1
  Ni  Ni102  1  0.904565  0.221505  0.489497  1
  Ni  Ni103  1  0.652755  0.381733  0.498254  1
  Ni  Ni104  1  0.152755  0.381733  0.498254  1
  Ni  Ni105  1  0.072411  0.721504  0.489498  1
  Ni  Ni106  1  0.232640  0.041962  0.507010  1
  Ni  Ni107  1  0.572411  0.721504  0.489498  1
  Ni  Ni108  1  0.732640  0.041962  0.507010  1
  Ni  Ni109  1  0.305124  0.522601  0.533345  1
  Ni  Ni110  1  0.805124  0.522601  0.533345  1
  Ni  Ni111  1  0.724748  0.862354  0.524589  1
  Ni  Ni112  1  0.144891  0.202133  0.515836  1
  Ni  Ni113  1  0.224748  0.862354  0.524589  1
  Ni  Ni114  1  0.644891  0.202133  0.515836  1
  Ni  Ni115  1  0.393075  0.362353  0.524589  1
  Ni  Ni116  1  0.893075  0.362353  0.524589  1
  Ni  Ni117  1  0.812712  0.702133  0.515837  1
  Ni  Ni118  1  0.972945  0.022600  0.533346  1
  Ni  Ni119  1  0.312712  0.702133  0.515837  1
  Ni  Ni120  1  0.472945  0.022600  0.533346  1
  Ni  Ni121  1  0.045501  0.503238  0.559655  1
  Ni  Ni122  1  0.545501  0.503238  0.559655  1
  Ni  Ni123  1  0.465010  0.842977  0.550932  1
  Ni  Ni124  1  0.885243  0.182769  0.542173  1
  Ni  Ni125  1  0.965010  0.842977  0.550932  1
  Ni  Ni126  1  0.385243  0.182769  0.542173  1
  Ni  Ni127  1  0.133434  0.342977  0.550932  1
  Ni  Ni128  1  0.633434  0.342977  0.550932  1
  Ni  Ni129  1  0.552995  0.682769  0.542174  1
  Ni  Ni130  1  0.713204  0.003237  0.559656  1
  Ni  Ni131  1  0.052995  0.682769  0.542174  1
  Ni  Ni132  1  0.213204  0.003237  0.559656  1
  Ni  Ni133  1  0.785995  0.483917  0.585999  1
  Ni  Ni134  1  0.285995  0.483917  0.585999  1
  Ni  Ni135  1  0.205269  0.823592  0.577262  1
  Ni  Ni136  1  0.625586  0.163360  0.568543  1
  Ni  Ni137  1  0.705269  0.823592  0.577262  1
  Ni  Ni138  1  0.125586  0.163360  0.568543  1
  Ni  Ni139  1  0.873788  0.323591  0.577262  1
  Ni  Ni140  1  0.373788  0.323591  0.577262  1
  Ni  Ni141  1  0.293240  0.663360  0.568544  1
  Ni  Ni142  1  0.453387  0.983916  0.586001  1
  Ni  Ni143  1  0.793240  0.663360  0.568544  1
  Ni  Ni144  1  0.953387  0.983916  0.586001  1
  Ni  Ni145  1  0.526658  0.464535  0.612231  1
  Ni  Ni146  1  0.026658  0.464535  0.612231  1
  Ni  Ni147  1  0.945453  0.804171  0.603593  1
  Ni  Ni148  1  0.365979  0.144028  0.594864  1
  Ni  Ni149  1  0.445453  0.804171  0.603593  1
  Ni  Ni150  1  0.865979  0.144028  0.594864  1
  Ni  Ni151  1  0.614180  0.304170  0.603593  1
  Ni  Ni152  1  0.114180  0.304170  0.603593  1
  Ni  Ni153  1  0.033513  0.644028  0.594865  1
  Ni  Ni154  1  0.193341  0.964535  0.612233  1
  Ni  Ni155  1  0.533513  0.644028  0.594865  1
  Ni  Ni156  1  0.693341  0.964535  0.612233  1
  Ni  Ni157  1  0.267601  0.445036  0.638600  1
  Ni  Ni158  1  0.767601  0.445036  0.638600  1
  Ni  Ni159  1  0.685741  0.784714  0.629943  1
  Ni  Ni160  1  0.106396  0.124516  0.621337  1
  Ni  Ni161  1  0.185741  0.784714  0.629943  1
  Ni  Ni162  1  0.606396  0.124516  0.621337  1
  Ni  Ni163  1  0.354434  0.284714  0.629943  1
  Ni  Ni164  1  0.854434  0.284714  0.629943  1
  Ni  Ni165  1  0.773582  0.624516  0.621338  1
  Ni  Ni166  1  0.932898  0.945036  0.638602  1
  Ni  Ni167  1  0.273582  0.624516  0.621338  1
  Ni  Ni168  1  0.432898  0.945036  0.638602  1
  Ni  Ni169  1  0.008928  0.426309  0.664520  1
  Ni  Ni170  1  0.508928  0.426309  0.664520  1
  Ni  Ni171  1  0.426483  0.765811  0.656175  1
  Ni  Ni172  1  0.847162  0.105259  0.647526  1
  Ni  Ni173  1  0.926483  0.765811  0.656175  1
  Ni  Ni174  1  0.347162  0.105259  0.647526  1
  Ni  Ni175  1  0.094785  0.265811  0.656174  1
  Ni  Ni176  1  0.594785  0.265811  0.656174  1
  Ni  Ni177  1  0.513556  0.605258  0.647527  1
  Ni  Ni178  1  0.672844  0.926308  0.664522  1
  Ni  Ni179  1  0.013556  0.605258  0.647527  1
  Ni  Ni180  1  0.172844  0.926308  0.664522  1
  Ni  Ni181  1  0.749973  0.407316  0.691327  1
  Ni  Ni182  1  0.249973  0.407316  0.691327  1
  Ni  Ni183  1  0.166143  0.745918  0.682449  1
  Ni  Ni184  1  0.586913  0.085380  0.674115  1
  Ni  Ni185  1  0.666143  0.745918  0.682449  1
  Ni  Ni186  1  0.086913  0.085380  0.674115  1
  Ni  Ni187  1  0.835230  0.245919  0.682449  1
  Ni  Ni188  1  0.335230  0.245919  0.682449  1
  Ni  Ni189  1  0.253923  0.585376  0.674115  1
  Ni  Ni190  1  0.412814  0.907315  0.691330  1
  Ni  Ni191  1  0.753923  0.585376  0.674115  1
  Ni  Ni192  1  0.912814  0.907315  0.691330  1
  Ni  Ni193  1  0.490053  0.385801  0.716455  1
  Ni  Ni194  1  0.990053  0.385801  0.716455  1
  Ni  Ni195  1  0.902644  0.725702  0.708758  1
  Ni  Ni196  1  0.326232  0.067385  0.700655  1
  Ni  Ni197  1  0.402644  0.725702  0.708758  1
  Ni  Ni198  1  0.826232  0.067385  0.700655  1
  Ni  Ni199  1  0.578505  0.225717  0.708758  1
  Ni  Ni200  1  0.078505  0.225717  0.708758  1
  Ni  Ni201  1  0.996614  0.567393  0.700656  1
  Ni  Ni202  1  0.151210  0.885782  0.716457  1
  Ni  Ni203  1  0.496614  0.567393  0.700656  1
  Ni  Ni204  1  0.651210  0.885782  0.716457  1
