# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84829731
_cell_length_b   7.85002257
_cell_length_c   46.16449823
_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   2786.69916712
_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  0.597188  0.597286  0.338751  1
  Ni  Ni2  1  0.267599  0.267615  0.277169  1
  Ni  Ni3  1  0.177720  0.675109  0.305608  1
  Ni  Ni4  1  0.675016  0.177794  0.305607  1
  Ni  Ni5  1  0.928434  0.928509  0.305969  1
  Ni  Ni6  1  0.432215  0.432296  0.307498  1
  Ni  Ni7  1  0.345603  0.845396  0.338389  1
  Ni  Ni8  1  0.845295  0.345698  0.338388  1
  Ni  Ni9  1  0.637453  0.888249  0.322183  1
  Ni  Ni10  1  0.136793  0.388600  0.323286  1
  Ni  Ni11  1  0.224030  0.972217  0.291485  1
  Ni  Ni12  1  0.724200  0.473707  0.291087  1
  Ni  Ni13  1  0.888142  0.637561  0.322183  1
  Ni  Ni14  1  0.388497  0.136891  0.323291  1
  Ni  Ni15  1  0.473673  0.724236  0.291088  1
  Ni  Ni16  1  0.972160  0.224054  0.291485  1
  Ni  Ni17  1  0.429517  0.429671  0.400791  1
  Ni  Ni18  1  0.095734  0.095836  0.338511  1
  Ni  Ni19  1  0.012286  0.513790  0.369642  1
  Ni  Ni20  1  0.513662  0.012413  0.369645  1
  Ni  Ni21  1  0.763495  0.763626  0.369434  1
  Ni  Ni22  1  0.263147  0.263282  0.369626  1
  Ni  Ni23  1  0.179323  0.679777  0.400733  1
  Ni  Ni24  1  0.679624  0.179477  0.400734  1
  Ni  Ni25  1  0.471368  0.721489  0.385244  1
  Ni  Ni26  1  0.971123  0.221458  0.385122  1
  Ni  Ni27  1  0.054802  0.804649  0.353615  1
  Ni  Ni28  1  0.555278  0.304802  0.353971  1
  Ni  Ni29  1  0.721352  0.471503  0.385244  1
  Ni  Ni30  1  0.221320  0.971262  0.385123  1
  Ni  Ni31  1  0.304682  0.555399  0.353969  1
  Ni  Ni32  1  0.804524  0.054923  0.353615  1
  Ni  Ni33  1  0.262215  0.262415  0.463252  1
  Ni  Ni34  1  0.929499  0.929654  0.400628  1
  Ni  Ni35  1  0.845871  0.346008  0.432019  1
  Ni  Ni36  1  0.345833  0.846046  0.432019  1
  Ni  Ni37  1  0.595855  0.596030  0.432061  1
  Ni  Ni38  1  0.095813  0.095989  0.431972  1
  Ni  Ni39  1  0.012206  0.512461  0.463263  1
  Ni  Ni40  1  0.512261  0.012406  0.463264  1
  Ni  Ni41  1  0.303991  0.554265  0.447634  1
  Ni  Ni42  1  0.804106  0.054187  0.447606  1
  Ni  Ni43  1  0.887576  0.638040  0.416421  1
  Ni  Ni44  1  0.387729  0.137766  0.416403  1
  Ni  Ni45  1  0.554077  0.304180  0.447634  1
  Ni  Ni46  1  0.053998  0.804295  0.447606  1
  Ni  Ni47  1  0.137600  0.387894  0.416403  1
  Ni  Ni48  1  0.637877  0.887739  0.416422  1
  Ni  Ni49  1  0.094953  0.095201  0.525708  1
  Ni  Ni50  1  0.762243  0.762441  0.463282  1
  Ni  Ni51  1  0.678616  0.178790  0.494496  1
  Ni  Ni52  1  0.178566  0.678840  0.494496  1
  Ni  Ni53  1  0.428594  0.428817  0.494506  1
  Ni  Ni54  1  0.928594  0.928817  0.494488  1
  Ni  Ni55  1  0.844939  0.345234  0.525732  1
  Ni  Ni56  1  0.344986  0.845187  0.525732  1
  Ni  Ni57  1  0.136765  0.387043  0.510120  1
  Ni  Ni58  1  0.636801  0.886994  0.510135  1
  Ni  Ni59  1  0.720412  0.470612  0.478891  1
  Ni  Ni60  1  0.220398  0.970624  0.478861  1
  Ni  Ni61  1  0.386807  0.137001  0.510120  1
  Ni  Ni62  1  0.886759  0.637036  0.510135  1
  Ni  Ni63  1  0.970412  0.220609  0.478861  1
  Ni  Ni64  1  0.470400  0.720623  0.478891  1
  Ni  Ni65  1  0.927634  0.927927  0.588263  1
  Ni  Ni66  1  0.594966  0.595213  0.525764  1
  Ni  Ni67  1  0.511438  0.011536  0.556997  1
  Ni  Ni68  1  0.011264  0.511709  0.556996  1
  Ni  Ni69  1  0.261337  0.261608  0.556966  1
  Ni  Ni70  1  0.761329  0.761600  0.557027  1
  Ni  Ni71  1  0.677865  0.177748  0.588264  1
  Ni  Ni72  1  0.177455  0.678157  0.588263  1
  Ni  Ni73  1  0.969430  0.219819  0.572533  1
  Ni  Ni74  1  0.469504  0.719861  0.572629  1
  Ni  Ni75  1  0.553200  0.303375  0.541378  1
  Ni  Ni76  1  0.053089  0.803413  0.541361  1
  Ni  Ni77  1  0.219533  0.969715  0.572533  1
  Ni  Ni78  1  0.719578  0.469787  0.572629  1
  Ni  Ni79  1  0.803154  0.053348  0.541362  1
  Ni  Ni80  1  0.303117  0.553458  0.541378  1
  Ni  Ni81  1  0.761845  0.762186  0.651153  1
  Ni  Ni82  1  0.427735  0.428029  0.588226  1
  Ni  Ni83  1  0.343551  0.844511  0.619438  1
  Ni  Ni84  1  0.844192  0.343871  0.619440  1
  Ni  Ni85  1  0.094012  0.094338  0.619213  1
  Ni  Ni86  1  0.594365  0.594687  0.619442  1
  Ni  Ni87  1  0.510584  0.010398  0.650554  1
  Ni  Ni88  1  0.010058  0.510923  0.650555  1
  Ni  Ni89  1  0.802850  0.052097  0.635318  1
  Ni  Ni90  1  0.302165  0.552726  0.635020  1
  Ni  Ni91  1  0.385957  0.136093  0.603794  1
  Ni  Ni92  1  0.885799  0.636439  0.603946  1
  Ni  Ni93  1  0.051773  0.803172  0.635317  1
  Ni  Ni94  1  0.552401  0.302490  0.635020  1
  Ni  Ni95  1  0.636132  0.886106  0.603947  1
  Ni  Ni96  1  0.135785  0.386266  0.603794  1
  Ni  Ni97  1  0.590601  0.591040  0.713049  1
  Ni  Ni98  1  0.260780  0.261124  0.650500  1
  Ni  Ni99  1  0.176720  0.675835  0.681863  1
  Ni  Ni100  1  0.675477  0.177067  0.681864  1
  Ni  Ni101  1  0.932343  0.932694  0.684039  1
  Ni  Ni102  1  0.427365  0.427714  0.681937  1
  Ni  Ni103  1  0.334814  0.845633  0.712656  1
  Ni  Ni104  1  0.845195  0.335255  0.712656  1
  Ni  Ni105  1  0.636221  0.886649  0.698238  1
  Ni  Ni106  1  0.136418  0.384682  0.698151  1
  Ni  Ni107  1  0.218726  0.971187  0.666093  1
  Ni  Ni108  1  0.719295  0.469927  0.665932  1
  Ni  Ni109  1  0.886261  0.636610  0.698238  1
  Ni  Ni110  1  0.384273  0.136799  0.698150  1
  Ni  Ni111  1  0.469562  0.719659  0.665932  1
  Ni  Ni112  1  0.970829  0.219080  0.666098  1
