# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39108777
_cell_length_b   11.96893338
_cell_length_c   48.88134035
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.08886722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni120 H40'
_cell_volume   3122.71631231
_cell_formula_units_Z   40
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  0.591128  0.141987  0.294211  1
  Ni  Ni2  1  0.048843  0.632104  0.276934  1
  Ni  Ni3  1  0.856231  0.330062  0.282904  1
  Ni  Ni4  1  0.461220  0.831821  0.304112  1
  Ni  Ni5  1  1.004320  0.145430  0.277383  1
  Ni  Ni6  1  0.597218  0.645494  0.294017  1
  Ni  Ni7  1  0.839812  0.496495  0.308652  1
  Ni  Ni8  1  0.246243  0.989293  0.288786  1
  Ni  Ni9  1  0.347040  0.293119  0.282576  1
  Ni  Ni10  1  0.977138  0.802535  0.301484  1
  Ni  Ni11  1  0.281620  0.478722  0.291219  1
  Ni  Ni12  1  0.845503  0.990145  0.309424  1
  Ni  Ni13  1  0.804581  0.161200  0.339199  1
  Ni  Ni14  1  0.224158  0.651323  0.320436  1
  Ni  Ni15  1  0.082523  0.344988  0.326245  1
  Ni  Ni16  1  0.687247  0.853175  0.348446  1
  Ni  Ni17  1  0.207102  0.156926  0.320020  1
  Ni  Ni18  1  0.806235  0.665941  0.339254  1
  Ni  Ni19  1  0.050786  0.515080  0.354958  1
  Ni  Ni20  1  0.450118  0.004961  0.333264  1
  Ni  Ni21  1  0.570689  0.314998  0.324369  1
  Ni  Ni22  1  0.173731  0.822657  0.347543  1
  Ni  Ni23  1  0.467839  0.502115  0.335728  1
  Ni  Ni24  1  0.055547  0.010011  0.355435  1
  Ni  Ni25  1  0.015198  0.178548  0.386107  1
  Ni  Ni26  1  0.424206  0.671382  0.364716  1
  Ni  Ni27  1  0.291046  0.364088  0.372198  1
  Ni  Ni28  1  0.894747  0.874066  0.394922  1
  Ni  Ni29  1  0.411163  0.175969  0.364031  1
  Ni  Ni30  1  0.010621  0.685456  0.385434  1
  Ni  Ni31  1  0.258528  0.535125  0.401153  1
  Ni  Ni32  1  0.656663  0.024793  0.378438  1
  Ni  Ni33  1  0.780949  0.330374  0.369764  1
  Ni  Ni34  1  0.387110  0.840742  0.392885  1
  Ni  Ni35  1  0.672120  0.519011  0.380573  1
  Ni  Ni36  1  0.266649  0.028801  0.401998  1
  Ni  Ni37  1  0.222859  0.198274  0.432493  1
  Ni  Ni38  1  0.626803  0.689287  0.410180  1
  Ni  Ni39  1  0.496106  0.383690  0.418454  1
  Ni  Ni40  1  0.100289  0.893841  0.441213  1
  Ni  Ni41  1  0.613558  0.195234  0.409314  1
  Ni  Ni42  1  0.214967  0.705369  0.431441  1
  Ni  Ni43  1  0.463437  0.554826  0.447286  1
  Ni  Ni44  1  0.861585  0.044640  0.424446  1
  Ni  Ni45  1  0.986693  0.349512  0.415713  1
  Ni  Ni46  1  0.591143  0.859845  0.438837  1
  Ni  Ni47  1  0.875526  0.538017  0.426156  1
  Ni  Ni48  1  0.473502  0.048266  0.448263  1
  Ni  Ni49  1  0.429092  0.218191  0.478677  1
  Ni  Ni50  1  0.830035  0.708537  0.456007  1
  Ni  Ni51  1  0.701256  0.403470  0.464514  1
  Ni  Ni52  1  0.305278  0.913654  0.487388  1
  Ni  Ni53  1  0.817649  0.214965  0.454994  1
  Ni  Ni54  1  0.418886  0.725080  0.477432  1
  Ni  Ni55  1  0.667725  0.574539  0.493319  1
  Ni  Ni56  1  0.066885  0.064582  0.470492  1
  Ni  Ni57  1  0.191339  0.369272  0.461786  1
  Ni  Ni58  1  0.795543  0.879471  0.484778  1
  Ni  Ni59  1  0.078939  0.557852  0.471935  1
  Ni  Ni60  1  0.679079  0.068008  0.494351  1
  Ni  Ni61  1  0.634673  0.238168  0.524782  1
  Ni  Ni62  1  0.033833  0.728211  0.501955  1
  Ni  Ni63  1  0.906015  0.423279  0.510497  1
  Ni  Ni64  1  0.510219  0.933478  0.533488  1
  Ni  Ni65  1  0.022479  0.234742  0.500923  1
  Ni  Ni66  1  0.622619  0.744898  0.523339  1
  Ni  Ni67  1  0.871523  0.594213  0.539267  1
  Ni  Ni68  1  0.272466  0.084559  0.516597  1
  Ni  Ni69  1  0.396280  0.389095  0.507886  1
  Ni  Ni70  1  1.000302  0.899280  0.530760  1
  Ni  Ni71  1  0.282672  0.577670  0.517842  1
  Ni  Ni72  1  0.883909  0.087785  0.540280  1
  Ni  Ni73  1  0.839973  0.258110  0.570828  1
  Ni  Ni74  1  0.238121  0.747924  0.547988  1
  Ni  Ni75  1  0.110415  0.442905  0.556437  1
  Ni  Ni76  1  0.714865  0.953238  0.579561  1
  Ni  Ni77  1  0.228056  0.254484  0.547011  1
  Ni  Ni78  1  0.826032  0.764733  0.569118  1
  Ni  Ni79  1  0.074755  0.613463  0.585094  1
  Ni  Ni80  1  0.478699  0.104476  0.562781  1
  Ni  Ni81  1  0.601269  0.408909  0.554061  1
  Ni  Ni82  1  0.205452  0.919060  0.576820  1
  Ni  Ni83  1  0.486591  0.597381  0.563833  1
  Ni  Ni84  1  0.088000  0.107516  0.585960  1
  Ni  Ni85  1  0.044895  0.277957  0.616836  1
  Ni  Ni86  1  0.443030  0.767625  0.594121  1
  Ni  Ni87  1  0.314448  0.462008  0.602389  1
  Ni  Ni88  1  0.920609  0.972376  0.625510  1
  Ni  Ni89  1  0.434909  0.273949  0.593276  1
  Ni  Ni90  1  0.029438  0.783739  0.614701  1
  Ni  Ni91  1  0.277352  0.631368  0.630558  1
  Ni  Ni92  1  0.686360  0.124202  0.609167  1
  Ni  Ni93  1  0.806811  0.428684  0.600352  1
  Ni  Ni94  1  0.410512  0.938661  0.623076  1
  Ni  Ni95  1  0.690937  0.617294  0.609840  1
  Ni  Ni96  1  0.290396  0.126781  0.631243  1
  Ni  Ni97  1  0.251440  0.297789  0.662010  1
  Ni  Ni98  1  0.650772  0.787670  0.640316  1
  Ni  Ni99  1  0.527827  0.480093  0.647731  1
  Ni  Ni100  1  0.130869  0.987752  0.670905  1
  Ni  Ni101  1  0.646011  0.292739  0.639839  1
  Ni  Ni102  1  0.233719  0.800634  0.659546  1
  Ni  Ni103  1  0.477400  0.651427  0.674838  1
  Ni  Ni104  1  0.896977  0.141550  0.656075  1
  Ni  Ni105  1  0.014311  0.449575  0.646828  1
  Ni  Ni106  1  0.619036  0.957762  0.669029  1
  Ni  Ni107  1  0.895323  0.636809  0.656020  1
  Ni  Ni108  1  0.494456  0.145824  0.675254  1
  Ni  Ni109  1  0.455315  0.313457  0.706488  1
  Ni  Ni110  1  0.861746  0.806255  0.686622  1
  Ni  Ni111  1  0.724420  0.500215  0.693790  1
  Ni  Ni112  1  0.354518  0.009631  0.712698  1
  Ni  Ni113  1  0.856055  0.312605  0.685850  1
  Ni  Ni114  1  0.419938  0.824028  0.704055  1
  Ni  Ni115  1  0.652715  0.670646  0.718340  1
  Ni  Ni116  1  0.110430  0.160763  0.701063  1
  Ni  Ni117  1  0.240338  0.470929  0.691162  1
  Ni  Ni118  1  0.845327  0.972687  0.712370  1
  Ni  Ni119  1  0.104340  0.657256  0.701257  1
  Ni  Ni120  1  0.697238  0.157320  0.717891  1
  H  H121  1  0.890117  0.224928  0.304403  1
  H  H122  1  0.278943  0.723900  0.286798  1
  H  H123  1  0.586513  0.394414  0.287883  1
  H  H124  1  0.977853  0.916646  0.277448  1
  H  H125  1  0.096266  0.244678  0.353237  1
  H  H126  1  0.692777  0.763948  0.314059  1
  H  H127  1  0.766732  0.431016  0.342335  1
  H  H128  1  0.165047  0.919345  0.318182  1
  H  H129  1  0.307811  0.263506  0.399109  1
  H  H130  1  0.711991  0.754169  0.375399  1
  H  H131  1  0.971728  0.449494  0.388935  1
  H  H132  1  0.352470  0.943964  0.366823  1
  H  H133  1  0.514787  0.282903  0.445077  1
  H  H134  1  0.915307  0.774065  0.421917  1
  H  H135  1  0.176001  0.469309  0.435009  1
  H  H136  1  0.568411  0.961448  0.412301  1
  H  H137  1  0.720729  0.302548  0.491067  1
  H  H138  1  0.118890  0.793640  0.468040  1
  H  H139  1  0.379167  0.489300  0.481131  1
  H  H140  1  0.774851  0.980629  0.458242  1
  H  H141  1  0.926707  0.322121  0.537032  1
  H  H142  1  0.322391  0.813450  0.514143  1
  H  H143  1  0.582668  0.509110  0.527234  1
  H  H144  1  0.980829  1.000202  0.504207  1
  H  H145  1  0.133147  0.341301  0.582973  1
  H  H146  1  0.525557  0.833441  0.560265  1
  H  H147  1  0.786251  0.528685  0.573357  1
  H  H148  1  0.186771  0.019847  0.550197  1
  H  H149  1  0.349088  0.358786  0.628451  1
  H  H150  1  0.729830  0.853256  0.606339  1
  H  H151  1  0.989567  0.548581  0.619875  1
  H  H152  1  0.393747  0.039244  0.596165  1
  H  H153  1  0.536511  0.383405  0.677092  1
  H  H154  1  0.934827  0.871734  0.652939  1
  H  H155  1  0.008781  0.538802  0.681215  1
  H  H156  1  0.605292  0.058072  0.642037  1
  H  H157  1  0.723705  0.386104  0.717826  1
  H  H158  1  0.115045  0.908336  0.707391  1
  H  H159  1  0.422615  0.578850  0.708476  1
  H  H160  1  0.811441  0.077822  0.690871  1
