# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84146715
_cell_length_b   18.32156319
_cell_length_c   48.18664313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.66296866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni162 H54'
_cell_volume   4273.14793995
_cell_formula_units_Z   54
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  0.679683  0.732875  0.281023  1
  Ni  Ni2  1  0.326269  0.035456  0.316674  1
  Ni  Ni3  1  0.072658  0.382456  0.284594  1
  Ni  Ni4  1  0.053953  0.590076  0.307736  1
  Ni  Ni5  1  0.568141  0.918914  0.297689  1
  Ni  Ni6  1  0.322932  0.261698  0.291495  1
  Ni  Ni7  1  0.180222  0.710023  0.290602  1
  Ni  Ni8  1  0.829617  0.020332  0.319582  1
  Ni  Ni9  1  0.576027  0.384805  0.291289  1
  Ni  Ni10  1  0.809847  0.500419  0.277756  1
  Ni  Ni11  1  0.441384  0.799785  0.317716  1
  Ni  Ni12  1  0.082291  0.151825  0.312088  1
  Ni  Ni13  1  0.552797  0.611646  0.297250  1
  Ni  Ni14  1  0.075153  0.941170  0.287601  1
  Ni  Ni15  1  0.833940  0.268507  0.301881  1
  Ni  Ni16  1  0.312851  0.498446  0.281967  1
  Ni  Ni17  1  0.945217  0.823412  0.306532  1
  Ni  Ni18  1  0.584734  0.142284  0.302040  1
  Ni  Ni19  1  0.809380  0.702294  0.327471  1
  Ni  Ni20  1  0.458588  1.006109  0.366905  1
  Ni  Ni21  1  0.200922  0.347898  0.330818  1
  Ni  Ni22  1  0.183316  0.554327  0.358576  1
  Ni  Ni23  1  0.707702  0.892140  0.346651  1
  Ni  Ni24  1  0.444428  0.229954  0.339323  1
  Ni  Ni25  1  0.315695  0.677868  0.338483  1
  Ni  Ni26  1  0.961505  0.993826  0.369145  1
  Ni  Ni27  1  0.700375  0.353957  0.340882  1
  Ni  Ni28  1  0.942196  0.465228  0.323311  1
  Ni  Ni29  1  0.566631  0.766879  0.367704  1
  Ni  Ni30  1  0.196162  0.119101  0.361322  1
  Ni  Ni31  1  0.677099  0.577474  0.346303  1
  Ni  Ni32  1  0.196865  0.914713  0.334894  1
  Ni  Ni33  1  0.952630  0.238491  0.352472  1
  Ni  Ni34  1  0.442385  0.470324  0.328038  1
  Ni  Ni35  1  0.062550  0.791510  0.356012  1
  Ni  Ni36  1  0.698056  0.115622  0.350828  1
  Ni  Ni37  1  0.932533  0.669983  0.376842  1
  Ni  Ni38  1  0.568909  0.976058  0.418778  1
  Ni  Ni39  1  0.304542  0.316861  0.380597  1
  Ni  Ni40  1  0.309976  0.523540  0.410159  1
  Ni  Ni41  1  0.822408  0.860986  0.397022  1
  Ni  Ni42  1  0.548443  0.199979  0.389898  1
  Ni  Ni43  1  0.439229  0.644825  0.388441  1
  Ni  Ni44  1  0.071669  0.963041  0.419311  1
  Ni  Ni45  1  0.803167  0.325005  0.392592  1
  Ni  Ni46  1  0.050677  0.431082  0.371283  1
  Ni  Ni47  1  0.685175  0.735661  0.417891  1
  Ni  Ni48  1  0.302841  0.088751  0.412174  1
  Ni  Ni49  1  0.804738  0.541728  0.397450  1
  Ni  Ni50  1  0.313335  0.885570  0.384512  1
  Ni  Ni51  1  0.058587  0.208721  0.403922  1
  Ni  Ni52  1  0.543944  0.440500  0.377309  1
  Ni  Ni53  1  0.181791  0.760122  0.406031  1
  Ni  Ni54  1  0.804555  0.085051  0.401398  1
  Ni  Ni55  1  0.047637  0.638976  0.426881  1
  Ni  Ni56  1  0.683695  0.946099  0.470587  1
  Ni  Ni57  1  0.406497  0.288881  0.431859  1
  Ni  Ni58  1  0.415234  0.494612  0.461452  1
  Ni  Ni59  1  0.936650  0.831075  0.447266  1
  Ni  Ni60  1  0.655788  0.170601  0.440633  1
  Ni  Ni61  1  0.554411  0.615131  0.438983  1
  Ni  Ni62  1  0.186232  0.933378  0.468820  1
  Ni  Ni63  1  0.907964  0.295977  0.443819  1
  Ni  Ni64  1  0.145365  0.402995  0.421715  1
  Ni  Ni65  1  0.797590  0.706618  0.468391  1
  Ni  Ni66  1  0.416688  0.059048  0.463040  1
  Ni  Ni67  1  0.911102  0.512397  0.448599  1
  Ni  Ni68  1  0.427946  0.854453  0.434562  1
  Ni  Ni69  1  0.167246  0.178823  0.454762  1
  Ni  Ni70  1  0.638562  0.411471  0.428591  1
  Ni  Ni71  1  0.294367  0.729861  0.456182  1
  Ni  Ni72  1  0.917329  0.054738  0.451944  1
  Ni  Ni73  1  0.152818  0.610525  0.477384  1
  Ni  Ni74  1  0.814900  0.913797  0.522222  1
  Ni  Ni75  1  0.514698  0.259854  0.482715  1
  Ni  Ni76  1  0.511609  0.465476  0.512034  1
  Ni  Ni77  1  0.050381  0.802129  0.497501  1
  Ni  Ni78  1  0.770502  0.140653  0.491218  1
  Ni  Ni79  1  0.656188  0.587823  0.489777  1
  Ni  Ni80  1  0.317670  0.906530  0.517619  1
  Ni  Ni81  1  0.017280  0.264619  0.494292  1
  Ni  Ni82  1  0.239746  0.375309  0.474418  1
  Ni  Ni83  1  0.901828  0.678580  0.519255  1
  Ni  Ni84  1  0.539948  0.029252  0.513925  1
  Ni  Ni85  1  0.004265  0.486976  0.499139  1
  Ni  Ni86  1  0.543037  0.823630  0.484606  1
  Ni  Ni87  1  0.284144  0.148452  0.505422  1
  Ni  Ni88  1  0.736976  0.382576  0.479021  1
  Ni  Ni89  1  0.398458  0.701283  0.506863  1
  Ni  Ni90  1  0.037366  0.024486  0.502347  1
  Ni  Ni91  1  0.257056  0.582488  0.528249  1
  Ni  Ni92  1  0.909281  0.886111  0.574924  1
  Ni  Ni93  1  0.637958  0.230057  0.533599  1
  Ni  Ni94  1  0.626700  0.434653  0.562077  1
  Ni  Ni95  1  0.143544  0.776708  0.548041  1
  Ni  Ni96  1  0.887400  0.110283  0.541877  1
  Ni  Ni97  1  0.760279  0.559244  0.540458  1
  Ni  Ni98  1  0.416084  0.877635  0.568048  1
  Ni  Ni99  1  0.137317  0.234368  0.544695  1
  Ni  Ni100  1  0.370951  0.343007  0.526053  1
  Ni  Ni101  1  0.007009  0.650130  0.569759  1
  Ni  Ni102  1  0.648149  1.000225  0.564781  1
  Ni  Ni103  1  0.117996  0.458031  0.549374  1
  Ni  Ni104  1  0.639412  0.794494  0.535188  1
  Ni  Ni105  1  0.398858  0.118505  0.556007  1
  Ni  Ni106  1  0.868414  0.355728  0.527820  1
  Ni  Ni107  1  0.500235  0.673974  0.557656  1
  Ni  Ni108  1  0.146682  0.993129  0.552820  1
  Ni  Ni109  1  0.369471  0.553445  0.578748  1
  Ni  Ni110  1  0.003969  0.858024  0.625356  1
  Ni  Ni111  1  0.751805  0.200355  0.584465  1
  Ni  Ni112  1  0.741311  0.403536  0.612127  1
  Ni  Ni113  1  0.249907  0.747378  0.599190  1
  Ni  Ni114  1  0.996059  0.080384  0.592717  1
  Ni  Ni115  1  0.872855  0.528984  0.590608  1
  Ni  Ni116  1  0.510702  0.848606  0.619331  1
  Ni  Ni117  1  0.250091  0.204055  0.595242  1
  Ni  Ni118  1  0.485737  0.313047  0.577861  1
  Ni  Ni119  1  0.122113  0.619123  0.619797  1
  Ni  Ni120  1  0.750104  0.972245  0.616042  1
  Ni  Ni121  1  0.232238  0.428120  0.599618  1
  Ni  Ni122  1  0.744670  0.765565  0.586481  1
  Ni  Ni123  1  0.506203  0.089126  0.606741  1
  Ni  Ni124  1  0.982977  0.326064  0.577329  1
  Ni  Ni125  1  0.615417  0.644281  0.608199  1
  Ni  Ni126  1  0.251479  0.964101  0.604047  1
  Ni  Ni127  1  0.488015  0.522227  0.628936  1
  Ni  Ni128  1  0.112450  0.823877  0.673328  1
  Ni  Ni129  1  0.858484  0.170005  0.635317  1
  Ni  Ni130  1  0.857781  0.374392  0.661746  1
  Ni  Ni131  1  0.377547  0.711632  0.650337  1
  Ni  Ni132  1  0.102016  0.050615  0.644168  1
  Ni  Ni133  1  0.992096  0.497595  0.640628  1
  Ni  Ni134  1  0.612261  0.818782  0.668602  1
  Ni  Ni135  1  0.356590  0.173484  0.645812  1
  Ni  Ni136  1  0.596058  0.282997  0.629735  1
  Ni  Ni137  1  0.245266  0.586812  0.669168  1
  Ni  Ni138  1  0.853724  0.941208  0.665822  1
  Ni  Ni139  1  0.346944  0.396966  0.649988  1
  Ni  Ni140  1  0.871330  0.734778  0.638063  1
  Ni  Ni141  1  0.610218  0.059152  0.657317  1
  Ni  Ni142  1  0.093141  0.295280  0.627495  1
  Ni  Ni143  1  0.738951  0.611238  0.658156  1
  Ni  Ni144  1  0.354271  0.935149  0.655758  1
  Ni  Ni145  1  0.613262  0.489320  0.678923  1
  Ni  Ni146  1  0.244799  0.788687  0.718884  1
  Ni  Ni147  1  0.972355  0.137281  0.684551  1
  Ni  Ni148  1  0.979493  0.347936  0.709038  1
  Ni  Ni149  1  0.501849  0.677460  0.699390  1
  Ni  Ni150  1  0.220706  0.020598  0.694758  1
  Ni  Ni151  1  0.109429  0.465694  0.690108  1
  Ni  Ni152  1  0.741795  0.790660  0.714672  1
  Ni  Ni153  1  0.469912  0.146822  0.694600  1
  Ni  Ni154  1  0.728377  0.253649  0.679965  1
  Ni  Ni155  1  0.374963  0.556231  0.715616  1
  Ni  Ni156  1  0.981988  0.906650  0.712045  1
  Ni  Ni157  1  0.486505  0.370191  0.698951  1
  Ni  Ni158  1  1.000693  0.699030  0.688904  1
  Ni  Ni159  1  0.731714  0.027407  0.705145  1
  Ni  Ni160  1  0.225029  0.268774  0.677057  1
  Ni  Ni161  1  0.874424  0.579083  0.706038  1
  Ni  Ni162  1  0.478619  0.904301  0.705351  1
  H  H163  1  0.875047  0.662913  0.287442  1
  H  H164  1  0.351042  0.986931  0.280625  1
  H  H165  1  0.515422  0.307881  0.312156  1
  H  H166  1  0.677272  0.530651  0.307203  1
  H  H167  1  0.262576  0.869704  0.295853  1
  H  H168  1  0.068914  0.211787  0.281154  1
  H  H169  1  0.995784  0.626645  0.342247  1
  H  H170  1  0.533999  0.966694  0.329700  1
  H  H171  1  0.622402  0.278997  0.365484  1
  H  H172  1  0.810286  0.498513  0.358693  1
  H  H173  1  0.386222  0.841824  0.351108  1
  H  H174  1  0.771108  0.189072  0.323803  1
  H  H175  1  0.115438  0.594207  0.392925  1
  H  H176  1  0.657057  0.937817  0.382266  1
  H  H177  1  0.723484  0.249469  0.416750  1
  H  H178  1  0.842470  0.433236  0.400787  1
  H  H179  1  0.501529  0.811138  0.401261  1
  H  H180  1  0.887312  0.160873  0.376945  1
  H  H181  1  0.225645  0.564826  0.443775  1
  H  H182  1  0.769308  0.907472  0.433234  1
  H  H183  1  0.829991  0.219346  0.467462  1
  H  H184  1  0.947929  0.404915  0.451647  1
  H  H185  1  0.615684  0.780453  0.451227  1
  H  H186  1  0.993618  0.130588  0.427866  1
  H  H187  1  0.328563  0.537638  0.494742  1
  H  H188  1  0.886867  0.877802  0.484183  1
  H  H189  1  0.947702  0.188457  0.518138  1
  H  H190  1  0.167779  0.411304  0.512457  1
  H  H191  1  0.726083  0.751468  0.501897  1
  H  H192  1  0.106944  0.100649  0.478501  1
  H  H193  1  0.438962  0.508653  0.545412  1
  H  H194  1  0.106717  0.884191  0.544993  1
  H  H195  1  0.061028  0.158517  0.568773  1
  H  H196  1  0.285338  0.381634  0.563405  1
  H  H197  1  0.829001  0.724279  0.552865  1
  H  H198  1  0.224655  0.069759  0.529178  1
  H  H199  1  0.553117  0.477968  0.595379  1
  H  H200  1  0.212176  0.855870  0.595852  1
  H  H201  1  0.167334  0.128233  0.619694  1
  H  H202  1  0.397589  0.351289  0.614374  1
  H  H203  1  0.939208  0.694899  0.603715  1
  H  H204  1  0.331162  0.039637  0.579889  1
  H  H205  1  0.668424  0.447282  0.645531  1
  H  H206  1  0.244360  0.790593  0.637946  1
  H  H207  1  0.283538  0.100034  0.672836  1
  H  H208  1  0.520647  0.322412  0.666940  1
  H  H209  1  0.058862  0.662460  0.654392  1
  H  H210  1  0.432244  0.010108  0.631155  1
  H  H211  1  0.792070  0.419401  0.700786  1
  H  H212  1  0.377374  0.758454  0.689436  1
  H  H213  1  0.985732  0.077319  0.715485  1
  H  H214  1  0.703603  0.302175  0.716015  1
  H  H215  1  0.179599  0.626193  0.709197  1
  H  H216  1  0.539224  0.981224  0.684483  1
