# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04593004
_cell_length_b   9.99633116
_cell_length_c   48.03722155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.46906547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni108 H36'
_cell_volume   2823.38026767
_cell_formula_units_Z   36
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  0.895043  0.915826  0.286766  1
  Ni  Ni2  1  0.927144  0.414262  0.301479  1
  Ni  Ni3  1  0.290942  0.856883  0.285114  1
  Ni  Ni4  1  0.308868  0.347549  0.300483  1
  Ni  Ni5  1  0.957391  0.679469  0.307011  1
  Ni  Ni6  1  0.922511  0.175064  0.293220  1
  Ni  Ni7  1  0.641820  0.523548  0.281351  1
  Ni  Ni8  1  0.598385  0.997505  0.312323  1
  Ni  Ni9  1  0.250463  0.590510  0.281929  1
  Ni  Ni10  1  0.225460  0.069099  0.312044  1
  Ni  Ni11  1  0.574488  0.733742  0.306944  1
  Ni  Ni12  1  0.523473  0.178934  0.278880  1
  Ni  Ni13  1  0.891385  0.882451  0.335977  1
  Ni  Ni14  1  0.923040  0.383564  0.353482  1
  Ni  Ni15  1  0.278074  0.819378  0.334750  1
  Ni  Ni16  1  0.294287  0.308850  0.351697  1
  Ni  Ni17  1  0.951640  0.644099  0.358713  1
  Ni  Ni18  1  0.920996  0.142896  0.342005  1
  Ni  Ni19  1  0.634474  0.497902  0.330580  1
  Ni  Ni20  1  0.594116  0.962855  0.363325  1
  Ni  Ni21  1  0.243188  0.553110  0.331153  1
  Ni  Ni22  1  0.224521  0.038059  0.362755  1
  Ni  Ni23  1  0.565472  0.700151  0.357983  1
  Ni  Ni24  1  0.607089  0.243090  0.325019  1
  Ni  Ni25  1  0.883830  0.849405  0.386533  1
  Ni  Ni26  1  0.911604  0.349115  0.406708  1
  Ni  Ni27  1  0.274909  0.785474  0.386306  1
  Ni  Ni28  1  0.289788  0.279439  0.404989  1
  Ni  Ni29  1  0.945146  0.611483  0.411585  1
  Ni  Ni30  1  0.918898  0.111934  0.391729  1
  Ni  Ni31  1  0.628552  0.463517  0.382218  1
  Ni  Ni32  1  0.593254  0.934983  0.414623  1
  Ni  Ni33  1  0.233553  0.518309  0.383227  1
  Ni  Ni34  1  0.219022  0.004976  0.413405  1
  Ni  Ni35  1  0.561047  0.668657  0.409460  1
  Ni  Ni36  1  0.595342  0.205008  0.375393  1
  Ni  Ni37  1  0.881313  0.823164  0.437168  1
  Ni  Ni38  1  0.905398  0.322448  0.460413  1
  Ni  Ni39  1  0.272471  0.757858  0.437931  1
  Ni  Ni40  1  0.287199  0.257019  0.458831  1
  Ni  Ni41  1  0.938349  0.583934  0.465800  1
  Ni  Ni42  1  0.923472  0.092179  0.441825  1
  Ni  Ni43  1  0.622575  0.435811  0.435120  1
  Ni  Ni44  1  0.592791  0.912325  0.465684  1
  Ni  Ni45  1  0.227899  0.491112  0.436181  1
  Ni  Ni46  1  0.217630  0.981620  0.463425  1
  Ni  Ni47  1  0.560772  0.645686  0.460831  1
  Ni  Ni48  1  0.584800  0.175443  0.427817  1
  Ni  Ni49  1  0.896705  0.809376  0.487318  1
  Ni  Ni50  1  0.895472  0.285453  0.514519  1
  Ni  Ni51  1  0.268870  0.731576  0.489898  1
  Ni  Ni52  1  0.289303  0.226962  0.512922  1
  Ni  Ni53  1  0.937102  0.542037  0.522384  1
  Ni  Ni54  1  0.929862  0.069628  0.492198  1
  Ni  Ni55  1  0.618310  0.405502  0.488777  1
  Ni  Ni56  1  0.617077  0.881578  0.515978  1
  Ni  Ni57  1  0.224479  0.463993  0.490374  1
  Ni  Ni58  1  0.244912  0.959379  0.513398  1
  Ni  Ni59  1  0.583920  0.621327  0.511098  1
  Ni  Ni60  1  0.576680  0.148918  0.480912  1
  Ni  Ni61  1  0.920991  0.778630  0.537612  1
  Ni  Ni62  1  0.891207  0.255144  0.568176  1
  Ni  Ni63  1  0.296152  0.709335  0.539871  1
  Ni  Ni64  1  0.285883  0.199843  0.567115  1
  Ni  Ni65  1  0.928982  0.515511  0.575479  1
  Ni  Ni66  1  0.953010  0.045269  0.542465  1
  Ni  Ni67  1  0.608384  0.368507  0.542883  1
  Ni  Ni68  1  0.632469  0.867791  0.566128  1
  Ni  Ni69  1  0.226583  0.433936  0.544465  1
  Ni  Ni70  1  0.241311  0.933097  0.565365  1
  Ni  Ni71  1  0.590310  0.598776  0.561471  1
  Ni  Ni72  1  0.575433  0.107021  0.537496  1
  Ni  Ni73  1  0.920528  0.755972  0.588673  1
  Ni  Ni74  1  0.885230  0.227438  0.621078  1
  Ni  Ni75  1  0.294760  0.685979  0.589891  1
  Ni  Ni76  1  0.280229  0.172646  0.620069  1
  Ni  Ni77  1  0.918439  0.485947  0.627903  1
  Ni  Ni78  1  0.952735  0.022298  0.593836  1
  Ni  Ni79  1  0.602178  0.341840  0.596589  1
  Ni  Ni80  1  0.629952  0.841550  0.616763  1
  Ni  Ni81  1  0.223994  0.411516  0.598307  1
  Ni  Ni82  1  0.238873  0.905480  0.616990  1
  Ni  Ni83  1  0.594883  0.579021  0.611567  1
  Ni  Ni84  1  0.568636  0.079471  0.591711  1
  Ni  Ni85  1  0.919666  0.728100  0.639971  1
  Ni  Ni86  1  0.879307  0.193053  0.672716  1
  Ni  Ni87  1  0.289261  0.652896  0.640541  1
  Ni  Ni88  1  0.270594  0.137844  0.672143  1
  Ni  Ni89  1  0.906693  0.447865  0.678277  1
  Ni  Ni90  1  0.948310  0.990804  0.645313  1
  Ni  Ni91  1  0.590742  0.307391  0.649814  1
  Ni  Ni92  1  0.622397  0.808504  0.667319  1
  Ni  Ni93  1  0.219495  0.382105  0.651599  1
  Ni  Ni94  1  0.235708  0.871577  0.668546  1
  Ni  Ni95  1  0.592786  0.548059  0.661291  1
  Ni  Ni96  1  0.562142  0.046856  0.644583  1
  Ni  Ni97  1  0.915397  0.693450  0.690973  1
  Ni  Ni98  1  0.871961  0.167407  0.721945  1
  Ni  Ni99  1  0.288321  0.621856  0.691252  1
  Ni  Ni100  1  0.263319  0.100445  0.721367  1
  Ni  Ni101  1  0.990309  0.512021  0.724416  1
  Ni  Ni102  1  0.939294  0.957212  0.696352  1
  Ni  Ni103  1  0.586638  0.276692  0.701817  1
  Ni  Ni104  1  0.618739  0.775129  0.716531  1
  Ni  Ni105  1  0.204914  0.343406  0.702813  1
  Ni  Ni106  1  0.222840  0.834072  0.718182  1
  Ni  Ni107  1  0.591271  0.515891  0.710076  1
  Ni  Ni108  1  0.556391  0.011486  0.696285  1
  H  H109  1  0.086191  0.871508  0.305929  1
  H  H110  1  0.134061  0.429407  0.273607  1
  H  H111  1  0.440857  0.539573  0.301297  1
  H  H112  1  0.411097  0.020688  0.281532  1
  H  H113  1  0.093085  0.844808  0.360871  1
  H  H114  1  0.068258  0.308217  0.322105  1
  H  H115  1  0.427072  0.500079  0.356458  1
  H  H116  1  0.465525  0.082803  0.340510  1
  H  H117  1  0.086123  0.810232  0.412117  1
  H  H118  1  0.074254  0.293673  0.377552  1
  H  H119  1  0.423268  0.470655  0.409179  1
  H  H120  1  0.465312  0.053031  0.392829  1
  H  H121  1  0.091800  0.785415  0.462986  1
  H  H122  1  0.089293  0.288563  0.432981  1
  H  H123  1  0.421839  0.449683  0.462711  1
  H  H124  1  0.465598  0.025808  0.444873  1
  H  H125  1  0.928856  0.669151  0.502570  1
  H  H126  1  0.089711  0.266088  0.486999  1
  H  H127  1  0.424071  0.424867  0.516298  1
  H  H128  1  0.584926  0.021804  0.500726  1
  H  H129  1  0.048184  0.665147  0.558423  1
  H  H130  1  0.091943  0.241272  0.540585  1
  H  H131  1  0.424489  0.402392  0.570315  1
  H  H132  1  0.421982  0.905540  0.540311  1
  H  H133  1  0.048470  0.637924  0.610467  1
  H  H134  1  0.090514  0.220300  0.594117  1
  H  H135  1  0.439528  0.397282  0.625744  1
  H  H136  1  0.427659  0.880723  0.591179  1
  H  H137  1  0.048257  0.608152  0.662786  1
  H  H138  1  0.086710  0.190876  0.646838  1
  H  H139  1  0.445524  0.382738  0.681191  1
  H  H140  1  0.420697  0.846147  0.642425  1
  H  H141  1  0.102685  0.670267  0.721764  1
  H  H142  1  0.072925  0.151381  0.701999  1
  H  H143  1  0.379721  0.261548  0.729689  1
  H  H144  1  0.427591  0.819447  0.697367  1
