# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84540851
_cell_length_b   7.84457511
_cell_length_c   46.04272170
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni112
_cell_volume   2776.39716432
_cell_formula_units_Z   112
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  0.931382  0.931812  0.306754  1
  Ni  Ni2  1  0.432824  0.433252  0.307806  1
  Ni  Ni3  1  0.345404  0.845192  0.339107  1
  Ni  Ni4  1  0.844771  0.345826  0.339107  1
  Ni  Ni5  1  0.596860  0.597283  0.339491  1
  Ni  Ni6  1  0.266632  0.267106  0.279552  1
  Ni  Ni7  1  0.180416  0.676913  0.306361  1
  Ni  Ni8  1  0.676491  0.180846  0.306362  1
  Ni  Ni9  1  0.888343  0.638632  0.322484  1
  Ni  Ni10  1  0.389691  0.136854  0.323942  1
  Ni  Ni11  1  0.474851  0.724870  0.292608  1
  Ni  Ni12  1  0.973758  0.227183  0.292308  1
  Ni  Ni13  1  0.638214  0.888761  0.322484  1
  Ni  Ni14  1  0.136432  0.390114  0.323946  1
  Ni  Ni15  1  0.226723  0.974203  0.292307  1
  Ni  Ni16  1  0.724417  0.475305  0.292609  1
  Ni  Ni17  1  0.763236  0.763640  0.369932  1
  Ni  Ni18  1  0.262942  0.263343  0.370275  1
  Ni  Ni19  1  0.178879  0.679831  0.401324  1
  Ni  Ni20  1  0.679441  0.179269  0.401324  1
  Ni  Ni21  1  0.429213  0.429604  0.401443  1
  Ni  Ni22  1  0.096404  0.096824  0.338906  1
  Ni  Ni23  1  0.011581  0.514147  0.370220  1
  Ni  Ni24  1  0.513742  0.011985  0.370219  1
  Ni  Ni25  1  0.720996  0.471467  0.385975  1
  Ni  Ni26  1  0.220950  0.971328  0.385732  1
  Ni  Ni27  1  0.304507  0.555403  0.354518  1
  Ni  Ni28  1  0.804443  0.055069  0.354058  1
  Ni  Ni29  1  0.471068  0.721396  0.385974  1
  Ni  Ni30  1  0.970931  0.221348  0.385732  1
  Ni  Ni31  1  0.054660  0.804851  0.354057  1
  Ni  Ni32  1  0.554992  0.304916  0.354517  1
  Ni  Ni33  1  0.595532  0.595910  0.432805  1
  Ni  Ni34  1  0.095504  0.095881  0.432634  1
  Ni  Ni35  1  0.011838  0.512353  0.463989  1
  Ni  Ni36  1  0.511990  0.012202  0.463989  1
  Ni  Ni37  1  0.261901  0.262264  0.463960  1
  Ni  Ni38  1  0.929167  0.929557  0.401182  1
  Ni  Ni39  1  0.845599  0.345846  0.432714  1
  Ni  Ni40  1  0.345468  0.845977  0.432714  1
  Ni  Ni41  1  0.553820  0.303967  0.448322  1
  Ni  Ni42  1  0.053613  0.804213  0.448276  1
  Ni  Ni43  1  0.137188  0.387935  0.417061  1
  Ni  Ni44  1  0.637712  0.887547  0.417085  1
  Ni  Ni45  1  0.303597  0.554190  0.448322  1
  Ni  Ni46  1  0.803843  0.053982  0.448276  1
  Ni  Ni47  1  0.887162  0.638097  0.417086  1
  Ni  Ni48  1  0.387551  0.137571  0.417060  1
  Ni  Ni49  1  0.428243  0.428593  0.495259  1
  Ni  Ni50  1  0.928251  0.928600  0.495245  1
  Ni  Ni51  1  0.844623  0.344908  0.526511  1
  Ni  Ni52  1  0.344572  0.844959  0.526511  1
  Ni  Ni53  1  0.094593  0.094930  0.526478  1
  Ni  Ni54  1  0.761931  0.762296  0.464029  1
  Ni  Ni55  1  0.678323  0.178508  0.495251  1
  Ni  Ni56  1  0.178158  0.678673  0.495251  1
  Ni  Ni57  1  0.386478  0.136750  0.510895  1
  Ni  Ni58  1  0.886401  0.636827  0.510940  1
  Ni  Ni59  1  0.970102  0.220396  0.479585  1
  Ni  Ni60  1  0.470032  0.720462  0.479644  1
  Ni  Ni61  1  0.136407  0.386821  0.510895  1
  Ni  Ni62  1  0.636483  0.886745  0.510940  1
  Ni  Ni63  1  0.720105  0.470389  0.479644  1
  Ni  Ni64  1  0.220039  0.970458  0.479585  1
  Ni  Ni65  1  0.260970  0.261293  0.557789  1
  Ni  Ni66  1  0.760982  0.761306  0.557921  1
  Ni  Ni67  1  0.677550  0.177259  0.589182  1
  Ni  Ni68  1  0.176948  0.677861  0.589182  1
  Ni  Ni69  1  0.927252  0.927564  0.589244  1
  Ni  Ni70  1  0.594605  0.594942  0.526557  1
  Ni  Ni71  1  0.511106  0.011202  0.557849  1
  Ni  Ni72  1  0.010878  0.511430  0.557850  1
  Ni  Ni73  1  0.219046  0.969456  0.573350  1
  Ni  Ni74  1  0.719300  0.469340  0.573430  1
  Ni  Ni75  1  0.802838  0.052993  0.542205  1
  Ni  Ni76  1  0.302680  0.553199  0.542197  1
  Ni  Ni77  1  0.969141  0.219361  0.573349  1
  Ni  Ni78  1  0.469023  0.719617  0.573431  1
  Ni  Ni79  1  0.552868  0.303010  0.542197  1
  Ni  Ni80  1  0.052662  0.803168  0.542205  1
  Ni  Ni81  1  0.093619  0.093912  0.620130  1
  Ni  Ni82  1  0.594055  0.594350  0.620155  1
  Ni  Ni83  1  0.509480  0.009995  0.651648  1
  Ni  Ni84  1  0.009713  0.509762  0.651647  1
  Ni  Ni85  1  0.761530  0.761813  0.652120  1
  Ni  Ni86  1  0.427315  0.427625  0.589096  1
  Ni  Ni87  1  0.342858  0.844320  0.620251  1
  Ni  Ni88  1  0.844023  0.343154  0.620250  1
  Ni  Ni89  1  0.051388  0.802462  0.636433  1
  Ni  Ni90  1  0.551848  0.302086  0.636028  1
  Ni  Ni91  1  0.635695  0.885837  0.604914  1
  Ni  Ni92  1  0.135410  0.385910  0.604681  1
  Ni  Ni93  1  0.802168  0.051680  0.636433  1
  Ni  Ni94  1  0.301794  0.552139  0.636028  1
  Ni  Ni95  1  0.385609  0.135712  0.604681  1
  Ni  Ni96  1  0.885534  0.635999  0.604914  1
  Ni  Ni97  1  0.930658  0.930937  0.684883  1
  Ni  Ni98  1  0.426001  0.426280  0.683377  1
  Ni  Ni99  1  0.339646  0.839903  0.712230  1
  Ni  Ni100  1  0.839671  0.339879  0.712230  1
  Ni  Ni101  1  0.589926  0.590158  0.713014  1
  Ni  Ni102  1  0.260629  0.260909  0.651396  1
  Ni  Ni103  1  0.176388  0.673307  0.683194  1
  Ni  Ni104  1  0.673033  0.176666  0.683194  1
  Ni  Ni105  1  0.884004  0.634071  0.698963  1
  Ni  Ni106  1  0.380334  0.133073  0.698739  1
  Ni  Ni107  1  0.469198  0.718656  0.666522  1
  Ni  Ni108  1  0.969791  0.217679  0.667069  1
  Ni  Ni109  1  0.633812  0.884263  0.698963  1
  Ni  Ni110  1  0.132811  0.380581  0.698738  1
  Ni  Ni111  1  0.217404  0.970067  0.667072  1
  Ni  Ni112  1  0.718384  0.469469  0.666522  1
