# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27248979
_cell_length_b   12.53043431
_cell_length_c   47.11675779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.82769838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2485.43424389
_cell_formula_units_Z   102
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  0.151545  0.146928  0.281486  1
  Ni  Ni2  1  0.317724  0.474467  0.289918  1
  Ni  Ni3  1  0.478786  0.803729  0.297551  1
  Ni  Ni4  1  0.409141  0.984392  0.278254  1
  Ni  Ni5  1  0.581416  0.310050  0.285670  1
  Ni  Ni6  1  0.745610  0.638783  0.294093  1
  Ni  Ni7  1  0.650854  0.135691  0.307561  1
  Ni  Ni8  1  0.814846  0.464787  0.315961  1
  Ni  Ni9  1  0.978869  0.794911  0.324090  1
  Ni  Ni10  1  0.904171  0.968088  0.302522  1
  Ni  Ni11  1  0.073988  0.300372  0.311775  1
  Ni  Ni12  1  0.238684  0.629562  0.320152  1
  Ni  Ni13  1  0.146476  0.124067  0.333701  1
  Ni  Ni14  1  0.312465  0.454987  0.342482  1
  Ni  Ni15  1  0.476170  0.784824  0.350767  1
  Ni  Ni16  1  0.400496  0.959531  0.329662  1
  Ni  Ni17  1  0.565770  0.289878  0.338205  1
  Ni  Ni18  1  0.731897  0.619984  0.346680  1
  Ni  Ni19  1  0.642266  0.114932  0.360002  1
  Ni  Ni20  1  0.807811  0.445022  0.368607  1
  Ni  Ni21  1  0.971999  0.775064  0.377086  1
  Ni  Ni22  1  0.895206  0.949736  0.355480  1
  Ni  Ni23  1  0.060925  0.279767  0.364297  1
  Ni  Ni24  1  0.226583  0.610122  0.372866  1
  Ni  Ni25  1  0.137400  0.104813  0.386291  1
  Ni  Ni26  1  0.302680  0.435021  0.394991  1
  Ni  Ni27  1  0.467301  0.764932  0.403572  1
  Ni  Ni28  1  0.390694  0.939738  0.381929  1
  Ni  Ni29  1  0.556053  0.269989  0.390701  1
  Ni  Ni30  1  0.721580  0.600085  0.399272  1
  Ni  Ni31  1  0.632547  0.094910  0.412617  1
  Ni  Ni32  1  0.797764  0.425093  0.421296  1
  Ni  Ni33  1  0.962553  0.755055  0.429938  1
  Ni  Ni34  1  0.885946  0.929820  0.408155  1
  Ni  Ni35  1  0.051106  0.259974  0.416970  1
  Ni  Ni36  1  0.216523  0.590104  0.425602  1
  Ni  Ni37  1  0.127586  0.084937  0.438925  1
  Ni  Ni38  1  0.292777  0.415099  0.447627  1
  Ni  Ni39  1  0.457652  0.745079  0.456325  1
  Ni  Ni40  1  0.381172  0.919913  0.434516  1
  Ni  Ni41  1  0.546190  0.250029  0.443306  1
  Ni  Ni42  1  0.711523  0.580149  0.451955  1
  Ni  Ni43  1  0.622641  0.075003  0.465258  1
  Ni  Ni44  1  0.787828  0.405143  0.473951  1
  Ni  Ni45  1  0.952746  0.735151  0.482682  1
  Ni  Ni46  1  0.876286  0.909989  0.460833  1
  Ni  Ni47  1  0.041258  0.240055  0.469616  1
  Ni  Ni48  1  0.206513  0.570176  0.478293  1
  Ni  Ni49  1  0.117663  0.065044  0.491584  1
  Ni  Ni50  1  0.282872  0.395168  0.500273  1
  Ni  Ni51  1  0.447814  0.725208  0.509033  1
  Ni  Ni52  1  0.371380  0.900061  0.487184  1
  Ni  Ni53  1  0.536322  0.230100  0.495943  1
  Ni  Ni54  1  0.701531  0.560225  0.504632  1
  Ni  Ni55  1  0.612680  0.055093  0.517924  1
  Ni  Ni56  1  0.777936  0.385214  0.526600  1
  Ni  Ni57  1  0.942907  0.715279  0.535383  1
  Ni  Ni58  1  0.866448  0.890117  0.513534  1
  Ni  Ni59  1  0.031366  0.220126  0.522265  1
  Ni  Ni60  1  0.196553  0.550266  0.530959  1
  Ni  Ni61  1  0.107671  0.045120  0.544261  1
  Ni  Ni62  1  0.273003  0.375240  0.552911  1
  Ni  Ni63  1  0.438022  0.705356  0.561701  1
  Ni  Ni64  1  0.361542  0.880189  0.539891  1
  Ni  Ni65  1  0.526417  0.210170  0.548589  1
  Ni  Ni66  1  0.691608  0.540332  0.557291  1
  Ni  Ni67  1  0.602671  0.035165  0.570614  1
  Ni  Ni68  1  0.768088  0.365295  0.579246  1
  Ni  Ni69  1  0.933247  0.695449  0.588062  1
  Ni  Ni70  1  0.856641  0.870213  0.566279  1
  Ni  Ni71  1  0.021430  0.200175  0.574921  1
  Ni  Ni72  1  0.186647  0.530359  0.583599  1
  Ni  Ni73  1  0.097614  0.025184  0.596945  1
  Ni  Ni74  1  0.263140  0.355280  0.605516  1
  Ni  Ni75  1  0.428499  0.685531  0.614287  1
  Ni  Ni76  1  0.351893  0.860336  0.592644  1
  Ni  Ni77  1  0.516514  0.190247  0.601225  1
  Ni  Ni78  1  0.681794  0.520456  0.609925  1
  Ni  Ni79  1  0.592611  0.015147  0.623350  1
  Ni  Ni80  1  0.758269  0.345502  0.631919  1
  Ni  Ni81  1  0.923988  0.675533  0.640736  1
  Ni  Ni82  1  0.847195  0.850205  0.619130  1
  Ni  Ni83  1  0.011383  0.180247  0.627610  1
  Ni  Ni84  1  0.176927  0.510337  0.636214  1
  Ni  Ni85  1  0.087296  0.005285  0.649536  1
  Ni  Ni86  1  0.253423  0.335391  0.658011  1
  Ni  Ni87  1  0.418698  0.665738  0.666554  1
  Ni  Ni88  1  0.343024  0.840445  0.645449  1
  Ni  Ni89  1  0.506729  0.170282  0.653734  1
  Ni  Ni90  1  0.672717  0.501202  0.662515  1
  Ni  Ni91  1  0.580510  0.995707  0.676065  1
  Ni  Ni92  1  0.745205  0.324897  0.684442  1
  Ni  Ni93  1  0.915023  0.657181  0.693694  1
  Ni  Ni94  1  0.840325  0.830358  0.672126  1
  Ni  Ni95  1  1.004347  0.160482  0.680256  1
  Ni  Ni96  1  0.168340  0.489578  0.688656  1
  Ni  Ni97  1  0.073584  0.986486  0.702123  1
  Ni  Ni98  1  0.237778  0.315219  0.710546  1
  Ni  Ni99  1  0.410052  0.640876  0.717963  1
  Ni  Ni100  1  0.340408  0.821539  0.698666  1
  Ni  Ni101  1  0.501470  0.150801  0.706299  1
  Ni  Ni102  1  0.667649  0.478341  0.714731  1
