# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84070692
_cell_length_b   7.84052493
_cell_length_c   46.08513280
_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   2775.8552826
_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  0.586956  0.587148  0.342853  1
  Ni  Ni2  1  0.254172  0.255979  0.281579  1
  Ni  Ni3  1  0.168932  0.666993  0.310287  1
  Ni  Ni4  1  0.669356  0.171501  0.311326  1
  Ni  Ni5  1  0.916579  0.919348  0.310287  1
  Ni  Ni6  1  0.421085  0.419771  0.311326  1
  Ni  Ni7  1  0.505551  0.004599  0.281579  1
  Ni  Ni8  1  0.836733  0.337371  0.342853  1
  Ni  Ni9  1  0.628825  0.877325  0.327269  1
  Ni  Ni10  1  0.126911  0.379240  0.327270  1
  Ni  Ni11  1  0.210962  0.961382  0.295749  1
  Ni  Ni12  1  0.712585  0.463007  0.295890  1
  Ni  Ni13  1  0.877810  0.628224  0.326174  1
  Ni  Ni14  1  0.377710  0.128126  0.327804  1
  Ni  Ni15  1  0.462994  0.711684  0.295898  1
  Ni  Ni16  1  0.961265  0.213417  0.295898  1
  Ni  Ni17  1  0.419350  0.420109  0.405093  1
  Ni  Ni18  1  0.085942  0.086299  0.342511  1
  Ni  Ni19  1  0.002664  0.504594  0.373835  1
  Ni  Ni20  1  0.503752  0.003008  0.373938  1
  Ni  Ni21  1  0.754183  0.753075  0.373835  1
  Ni  Ni22  1  0.252598  0.254162  0.373939  1
  Ni  Ni23  1  0.335885  0.836356  0.342511  1
  Ni  Ni24  1  0.669701  0.169758  0.405092  1
  Ni  Ni25  1  0.461441  0.711793  0.389461  1
  Ni  Ni26  1  0.961383  0.211850  0.389461  1
  Ni  Ni27  1  0.044809  0.795220  0.357723  1
  Ni  Ni28  1  0.545195  0.295608  0.358285  1
  Ni  Ni29  1  0.711382  0.461793  0.389600  1
  Ni  Ni30  1  0.211251  0.961660  0.389317  1
  Ni  Ni31  1  0.294971  0.545828  0.358060  1
  Ni  Ni32  1  0.795415  0.045383  0.358060  1
  Ni  Ni33  1  0.251936  0.252413  0.467626  1
  Ni  Ni34  1  0.919714  0.919717  0.404954  1
  Ni  Ni35  1  0.835780  0.336089  0.436411  1
  Ni  Ni36  1  0.335672  0.836165  0.436306  1
  Ni  Ni37  1  0.585683  0.586186  0.436411  1
  Ni  Ni38  1  0.085759  0.086077  0.436306  1
  Ni  Ni39  1  0.169309  0.670122  0.404954  1
  Ni  Ni40  1  0.502010  0.002338  0.467626  1
  Ni  Ni41  1  0.293720  0.544408  0.451979  1
  Ni  Ni42  1  0.794004  0.044124  0.451979  1
  Ni  Ni43  1  0.877663  0.628070  0.420800  1
  Ni  Ni44  1  0.377597  0.128003  0.420720  1
  Ni  Ni45  1  0.543851  0.294255  0.452000  1
  Ni  Ni46  1  0.043872  0.794276  0.451959  1
  Ni  Ni47  1  0.127429  0.378287  0.420754  1
  Ni  Ni48  1  0.627880  0.877836  0.420753  1
  Ni  Ni49  1  0.084458  0.084790  0.530148  1
  Ni  Ni50  1  0.752023  0.752360  0.467681  1
  Ni  Ni51  1  0.668268  0.168547  0.498915  1
  Ni  Ni52  1  0.168148  0.668667  0.498915  1
  Ni  Ni53  1  0.418148  0.418668  0.498915  1
  Ni  Ni54  1  0.918267  0.918548  0.498915  1
  Ni  Ni55  1  0.001957  0.502425  0.467681  1
  Ni  Ni56  1  0.334393  0.834855  0.530148  1
  Ni  Ni57  1  0.126285  0.376780  0.514561  1
  Ni  Ni58  1  0.626381  0.876683  0.514561  1
  Ni  Ni59  1  0.710088  0.460489  0.483307  1
  Ni  Ni60  1  0.210079  0.960481  0.483229  1
  Ni  Ni61  1  0.376328  0.126726  0.514522  1
  Ni  Ni62  1  0.876336  0.626734  0.514601  1
  Ni  Ni63  1  0.960131  0.210435  0.483268  1
  Ni  Ni64  1  0.460034  0.710532  0.483268  1
  Ni  Ni65  1  0.917106  0.917093  0.592875  1
  Ni  Ni66  1  0.584405  0.584877  0.530203  1
  Ni  Ni67  1  0.500732  1.001029  0.561418  1
  Ni  Ni68  1  1.000656  0.501138  0.561524  1
  Ni  Ni69  1  0.250635  0.251126  0.561418  1
  Ni  Ni70  1  0.750744  0.751051  0.561523  1
  Ni  Ni71  1  0.834480  0.334802  0.530203  1
  Ni  Ni72  1  0.166702  0.667498  0.592875  1
  Ni  Ni73  1  0.958986  0.208928  0.577076  1
  Ni  Ni74  1  0.458535  0.709379  0.577076  1
  Ni  Ni75  1  0.542564  0.292960  0.545829  1
  Ni  Ni76  1  0.042544  0.792939  0.545870  1
  Ni  Ni77  1  0.208753  0.959145  0.577030  1
  Ni  Ni78  1  0.708819  0.459212  0.577109  1
  Ni  Ni79  1  0.792695  0.042807  0.545850  1
  Ni  Ni80  1  0.292412  0.543091  0.545850  1
  Ni  Ni81  1  0.750531  0.750859  0.655319  1
  Ni  Ni82  1  0.416714  0.417457  0.592737  1
  Ni  Ni83  1  0.332233  0.834140  0.623995  1
  Ni  Ni84  1  0.833817  0.333053  0.623890  1
  Ni  Ni85  1  0.083751  0.082621  0.623994  1
  Ni  Ni86  1  0.582664  0.584207  0.623891  1
  Ni  Ni87  1  0.667065  0.167106  0.592737  1
  Ni  Ni88  1  1.000474  0.500916  0.655318  1
  Ni  Ni89  1  0.791445  0.041387  0.639769  1
  Ni  Ni90  1  0.291000  0.541832  0.639769  1
  Ni  Ni91  1  0.375033  0.125422  0.608229  1
  Ni  Ni92  1  0.875165  0.625555  0.608512  1
  Ni  Ni93  1  0.041607  0.791995  0.640106  1
  Ni  Ni94  1  0.541220  0.291607  0.639544  1
  Ni  Ni95  1  0.624975  0.875422  0.608368  1
  Ni  Ni96  1  0.125032  0.375365  0.608368  1
  Ni  Ni97  1  0.580864  0.582616  0.716250  1
  Ni  Ni98  1  0.249682  0.249844  0.654976  1
  Ni  Ni99  1  0.169836  0.667867  0.687542  1
  Ni  Ni100  1  0.665330  0.167444  0.686503  1
  Ni  Ni101  1  0.917484  0.920222  0.687542  1
  Ni  Ni102  1  0.417059  0.415714  0.686503  1
  Ni  Ni103  1  0.499460  1.000067  0.654976  1
  Ni  Ni104  1  0.832243  0.331236  0.716250  1
  Ni  Ni105  1  0.623421  0.875531  0.701931  1
  Ni  Ni106  1  0.125151  0.373798  0.701931  1
  Ni  Ni107  1  0.208605  0.958991  0.671655  1
  Ni  Ni108  1  0.708705  0.459089  0.670025  1
  Ni  Ni109  1  0.875454  0.625833  0.702080  1
  Ni  Ni110  1  0.373830  0.124209  0.701939  1
  Ni  Ni111  1  0.457591  0.709890  0.670560  1
  Ni  Ni112  1  0.959505  0.207975  0.670559  1
