# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83800819
_cell_length_b   7.83213990
_cell_length_c   46.04566070
_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   2769.55806382
_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  0.597541  0.598905  0.339535  1
  Ni  Ni2  1  0.264567  0.266233  0.279665  1
  Ni  Ni3  1  0.181304  0.679620  0.307034  1
  Ni  Ni4  1  0.678279  0.182703  0.307038  1
  Ni  Ni5  1  0.932278  0.933677  0.307340  1
  Ni  Ni6  1  0.432318  0.433702  0.307975  1
  Ni  Ni7  1  0.346610  0.847348  0.339246  1
  Ni  Ni8  1  0.845994  0.347977  0.339249  1
  Ni  Ni9  1  0.639337  0.890080  0.322663  1
  Ni  Ni10  1  0.137012  0.392052  0.323931  1
  Ni  Ni11  1  0.225774  0.974603  0.292983  1
  Ni  Ni12  1  0.722843  0.475337  0.293527  1
  Ni  Ni13  1  0.888771  0.640646  0.322665  1
  Ni  Ni14  1  0.390709  0.138344  0.323910  1
  Ni  Ni15  1  0.473769  0.724398  0.293525  1
  Ni  Ni16  1  0.973117  0.227377  0.292987  1
  Ni  Ni17  1  0.430020  0.431165  0.401470  1
  Ni  Ni18  1  0.097542  0.098885  0.338965  1
  Ni  Ni19  1  0.012625  0.515985  0.370210  1
  Ni  Ni20  1  0.514751  0.013855  0.370200  1
  Ni  Ni21  1  0.764095  0.765318  0.369910  1
  Ni  Ni22  1  0.263901  0.265107  0.370247  1
  Ni  Ni23  1  0.179774  0.681381  0.401375  1
  Ni  Ni24  1  0.680233  0.180918  0.401372  1
  Ni  Ni25  1  0.471971  0.723074  0.386040  1
  Ni  Ni26  1  0.971864  0.223002  0.385817  1
  Ni  Ni27  1  0.055522  0.806669  0.354088  1
  Ni  Ni28  1  0.555846  0.306758  0.354473  1
  Ni  Ni29  1  0.721862  0.473179  0.386040  1
  Ni  Ni30  1  0.221800  0.973060  0.385817  1
  Ni  Ni31  1  0.305491  0.557126  0.354476  1
  Ni  Ni32  1  0.805404  0.056790  0.354089  1
  Ni  Ni33  1  0.262506  0.263473  0.464085  1
  Ni  Ni34  1  0.929966  0.931108  0.401246  1
  Ni  Ni35  1  0.846318  0.347257  0.432823  1
  Ni  Ni36  1  0.346194  0.847381  0.432824  1
  Ni  Ni37  1  0.596241  0.597307  0.432905  1
  Ni  Ni38  1  0.096220  0.097280  0.432751  1
  Ni  Ni39  1  0.012448  0.513562  0.464115  1
  Ni  Ni40  1  0.512593  0.013417  0.464114  1
  Ni  Ni41  1  0.304264  0.555473  0.448427  1
  Ni  Ni42  1  0.804487  0.055294  0.448389  1
  Ni  Ni43  1  0.887943  0.639591  0.417149  1
  Ni  Ni44  1  0.388327  0.139072  0.417118  1
  Ni  Ni45  1  0.554459  0.305278  0.448426  1
  Ni  Ni46  1  0.054281  0.805502  0.448390  1
  Ni  Ni47  1  0.137979  0.389422  0.417120  1
  Ni  Ni48  1  0.638487  0.889049  0.417146  1
  Ni  Ni49  1  0.094970  0.095760  0.526689  1
  Ni  Ni50  1  0.762531  0.763504  0.464155  1
  Ni  Ni51  1  0.678809  0.179528  0.495419  1
  Ni  Ni52  1  0.178645  0.679692  0.495420  1
  Ni  Ni53  1  0.428730  0.429613  0.495422  1
  Ni  Ni54  1  0.928738  0.929621  0.495420  1
  Ni  Ni55  1  0.845028  0.345715  0.526714  1
  Ni  Ni56  1  0.344922  0.845821  0.526715  1
  Ni  Ni57  1  0.136850  0.387743  0.511079  1
  Ni  Ni58  1  0.636904  0.887683  0.511125  1
  Ni  Ni59  1  0.720647  0.471502  0.479794  1
  Ni  Ni60  1  0.220582  0.971577  0.479743  1
  Ni  Ni61  1  0.386906  0.137686  0.511078  1
  Ni  Ni62  1  0.886844  0.637743  0.511125  1
  Ni  Ni63  1  0.970650  0.221508  0.479743  1
  Ni  Ni64  1  0.470573  0.721575  0.479795  1
  Ni  Ni65  1  0.927404  0.928030  0.589551  1
  Ni  Ni66  1  0.594980  0.595776  0.526751  1
  Ni  Ni67  1  0.511325  0.011897  0.558089  1
  Ni  Ni68  1  0.011194  0.512030  0.558090  1
  Ni  Ni69  1  0.261235  0.261937  0.558034  1
  Ni  Ni70  1  0.761245  0.761952  0.558155  1
  Ni  Ni71  1  0.677620  0.177820  0.589482  1
  Ni  Ni72  1  0.177195  0.678250  0.589485  1
  Ni  Ni73  1  0.969394  0.219862  0.573622  1
  Ni  Ni74  1  0.469181  0.720201  0.573662  1
  Ni  Ni75  1  0.553174  0.303756  0.542421  1
  Ni  Ni76  1  0.052991  0.803903  0.542444  1
  Ni  Ni77  1  0.219210  0.970047  0.573623  1
  Ni  Ni78  1  0.719540  0.469843  0.573660  1
  Ni  Ni79  1  0.803150  0.053743  0.542443  1
  Ni  Ni80  1  0.303003  0.553928  0.542422  1
  Ni  Ni81  1  0.761288  0.761724  0.652322  1
  Ni  Ni82  1  0.427425  0.428050  0.589391  1
  Ni  Ni83  1  0.342914  0.844661  0.620547  1
  Ni  Ni84  1  0.844135  0.343439  0.620539  1
  Ni  Ni85  1  0.093652  0.094156  0.620510  1
  Ni  Ni86  1  0.593982  0.594498  0.620376  1
  Ni  Ni87  1  0.509556  0.010346  0.652001  1
  Ni  Ni88  1  0.009915  0.509995  0.651999  1
  Ni  Ni89  1  0.801997  0.052101  0.636779  1
  Ni  Ni90  1  0.301795  0.552211  0.636439  1
  Ni  Ni91  1  0.385666  0.136115  0.604991  1
  Ni  Ni92  1  0.885712  0.636286  0.605185  1
  Ni  Ni93  1  0.051597  0.802517  0.636783  1
  Ni  Ni94  1  0.551704  0.302302  0.636439  1
  Ni  Ni95  1  0.635710  0.886282  0.605184  1
  Ni  Ni96  1  0.135549  0.386229  0.604992  1
  Ni  Ni97  1  0.592831  0.592952  0.712476  1
  Ni  Ni98  1  0.260644  0.261066  0.651752  1
  Ni  Ni99  1  0.177077  0.674239  0.683416  1
  Ni  Ni100  1  0.673842  0.177499  0.683414  1
  Ni  Ni101  1  0.929738  0.930167  0.684516  1
  Ni  Ni102  1  0.426370  0.426797  0.683636  1
  Ni  Ni103  1  0.344364  0.840428  0.712081  1
  Ni  Ni104  1  0.840302  0.344479  0.712077  1
  Ni  Ni105  1  0.634709  0.885163  0.698660  1
  Ni  Ni106  1  0.133292  0.381858  0.698365  1
  Ni  Ni107  1  0.217452  0.969964  0.667383  1
  Ni  Ni108  1  0.718416  0.469493  0.666721  1
  Ni  Ni109  1  0.884860  0.635011  0.698658  1
  Ni  Ni110  1  0.381633  0.133613  0.698369  1
  Ni  Ni111  1  0.469135  0.718770  0.666722  1
  Ni  Ni112  1  0.969567  0.217845  0.667363  1
