# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.06748801
_cell_length_b   13.61073831
_cell_length_c   46.68509379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.05196937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni264 H88'
_cell_volume   7055.62447233
_cell_formula_units_Z   88
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  0.774257  0.453122  0.313570  1
  Ni  Ni2  1  0.212947  0.429714  0.294954  1
  Ni  Ni3  1  0.212947  0.929714  0.294954  1
  Ni  Ni4  1  0.774257  0.953122  0.313570  1
  Ni  Ni5  1  0.899359  0.607284  0.288017  1
  Ni  Ni6  1  0.497389  0.628861  0.304129  1
  Ni  Ni7  1  0.497389  0.128861  0.304129  1
  Ni  Ni8  1  0.899359  0.107284  0.288017  1
  Ni  Ni9  1  0.927979  0.430575  0.287309  1
  Ni  Ni10  1  0.484845  0.441035  0.302898  1
  Ni  Ni11  1  0.484845  0.941035  0.302898  1
  Ni  Ni12  1  0.927979  0.930575  0.287309  1
  Ni  Ni13  1  0.427809  0.759884  0.284721  1
  Ni  Ni14  1  0.994276  0.792089  0.301711  1
  Ni  Ni15  1  0.994276  0.292089  0.301711  1
  Ni  Ni16  1  0.427809  0.259884  0.284721  1
  Ni  Ni17  1  0.275518  0.613255  0.312962  1
  Ni  Ni18  1  0.683824  0.579769  0.297735  1
  Ni  Ni19  1  0.683824  0.079769  0.297735  1
  Ni  Ni20  1  0.275518  0.113255  0.312962  1
  Ni  Ni21  1  0.283348  0.795855  0.312497  1
  Ni  Ni22  1  0.741029  0.766309  0.296127  1
  Ni  Ni23  1  0.741029  0.266309  0.296127  1
  Ni  Ni24  1  0.283348  0.295855  0.312497  1
  Ni  Ni25  1  0.925610  0.517508  0.351798  1
  Ni  Ni26  1  0.355889  0.484581  0.333838  1
  Ni  Ni27  1  0.355889  0.984581  0.333838  1
  Ni  Ni28  1  0.925610  0.017508  0.351798  1
  Ni  Ni29  1  0.071615  0.661430  0.321707  1
  Ni  Ni30  1  0.650214  0.686425  0.342985  1
  Ni  Ni31  1  0.650214  0.186425  0.342985  1
  Ni  Ni32  1  0.071615  0.161430  0.321707  1
  Ni  Ni33  1  0.072490  0.480075  0.324297  1
  Ni  Ni34  1  0.636335  0.498854  0.344222  1
  Ni  Ni35  1  0.636335  0.998854  0.344222  1
  Ni  Ni36  1  0.072490  0.980075  0.324297  1
  Ni  Ni37  1  0.579637  0.816334  0.320888  1
  Ni  Ni38  1  0.145477  0.845930  0.342040  1
  Ni  Ni39  1  0.145477  0.345930  0.342040  1
  Ni  Ni40  1  0.579637  0.316334  0.320888  1
  Ni  Ni41  1  0.423000  0.671803  0.352774  1
  Ni  Ni42  1  0.839340  0.648022  0.334210  1
  Ni  Ni43  1  0.839340  0.148022  0.334210  1
  Ni  Ni44  1  0.423000  0.171803  0.352774  1
  Ni  Ni45  1  0.435804  0.852675  0.351816  1
  Ni  Ni46  1  0.870942  0.833924  0.335633  1
  Ni  Ni47  1  0.870942  0.333924  0.335633  1
  Ni  Ni48  1  0.435804  0.352675  0.351816  1
  Ni  Ni49  1  0.075153  0.570574  0.393353  1
  Ni  Ni50  1  0.500156  0.540417  0.373349  1
  Ni  Ni51  1  0.500156  0.040417  0.373349  1
  Ni  Ni52  1  0.075153  0.070574  0.393353  1
  Ni  Ni53  1  0.224524  0.716324  0.361895  1
  Ni  Ni54  1  0.799376  0.744626  0.383349  1
  Ni  Ni55  1  0.799376  0.244626  0.383349  1
  Ni  Ni56  1  0.224524  0.216324  0.361895  1
  Ni  Ni57  1  0.216769  0.533688  0.363591  1
  Ni  Ni58  1  0.785811  0.559917  0.383380  1
  Ni  Ni59  1  0.785811  0.059917  0.383380  1
  Ni  Ni60  1  0.216769  0.033688  0.363591  1
  Ni  Ni61  1  0.720337  0.872712  0.362518  1
  Ni  Ni62  1  0.294249  0.901417  0.382052  1
  Ni  Ni63  1  0.294249  0.401417  0.382052  1
  Ni  Ni64  1  0.720337  0.372712  0.362518  1
  Ni  Ni65  1  0.570483  0.725599  0.393404  1
  Ni  Ni66  1  0.995759  0.699677  0.372702  1
  Ni  Ni67  1  0.995759  0.199677  0.372702  1
  Ni  Ni68  1  0.570483  0.225599  0.393404  1
  Ni  Ni69  1  0.582449  0.910210  0.393478  1
  Ni  Ni70  1  0.014485  0.886711  0.374037  1
  Ni  Ni71  1  0.014485  0.386711  0.374037  1
  Ni  Ni72  1  0.582449  0.410210  0.393478  1
  Ni  Ni73  1  0.223211  0.626387  0.434481  1
  Ni  Ni74  1  0.648417  0.596695  0.414382  1
  Ni  Ni75  1  0.648417  0.096695  0.414382  1
  Ni  Ni76  1  0.223211  0.126387  0.434481  1
  Ni  Ni77  1  0.372314  0.773269  0.402794  1
  Ni  Ni78  1  0.947281  0.802768  0.423611  1
  Ni  Ni79  1  0.947281  0.302768  0.423611  1
  Ni  Ni80  1  0.372314  0.273269  0.402794  1
  Ni  Ni81  1  0.361189  0.589385  0.403608  1
  Ni  Ni82  1  0.933448  0.617863  0.423408  1
  Ni  Ni83  1  0.933448  0.117863  0.423408  1
  Ni  Ni84  1  0.361189  0.089385  0.403608  1
  Ni  Ni85  1  0.868769  0.931830  0.402029  1
  Ni  Ni86  1  0.440952  0.959100  0.422693  1
  Ni  Ni87  1  0.440952  0.459100  0.422693  1
  Ni  Ni88  1  0.868769  0.431830  0.402029  1
  Ni  Ni89  1  0.718859  0.783192  0.433832  1
  Ni  Ni90  1  0.144235  0.754891  0.413397  1
  Ni  Ni91  1  0.144235  0.254891  0.413397  1
  Ni  Ni92  1  0.718859  0.283192  0.433832  1
  Ni  Ni93  1  0.732108  0.967816  0.433898  1
  Ni  Ni94  1  0.160240  0.940865  0.414043  1
  Ni  Ni95  1  0.160240  0.440865  0.414043  1
  Ni  Ni96  1  0.732108  0.467816  0.433898  1
  Ni  Ni97  1  0.370946  0.683188  0.475246  1
  Ni  Ni98  1  0.797139  0.654378  0.454936  1
  Ni  Ni99  1  0.797139  0.154378  0.454936  1
  Ni  Ni100  1  0.370946  0.183188  0.475246  1
  Ni  Ni101  1  0.520055  0.830540  0.443731  1
  Ni  Ni102  1  0.094471  0.859869  0.464168  1
  Ni  Ni103  1  0.094471  0.359869  0.464168  1
  Ni  Ni104  1  0.520055  0.330540  0.443731  1
  Ni  Ni105  1  0.507599  0.646085  0.444007  1
  Ni  Ni106  1  0.080430  0.674704  0.463902  1
  Ni  Ni107  1  0.080430  0.174704  0.463902  1
  Ni  Ni108  1  0.507599  0.146085  0.444007  1
  Ni  Ni109  1  0.015530  0.988522  0.442716  1
  Ni  Ni110  1  0.589055  0.016158  0.463285  1
  Ni  Ni111  1  0.589055  0.516158  0.463285  1
  Ni  Ni112  1  0.015530  0.488522  0.442716  1
  Ni  Ni113  1  0.866218  0.840474  0.474386  1
  Ni  Ni114  1  0.291889  0.811695  0.454059  1
  Ni  Ni115  1  0.291889  0.311695  0.454059  1
  Ni  Ni116  1  0.866218  0.340474  0.474386  1
  Ni  Ni117  1  0.879683  0.025228  0.474468  1
  Ni  Ni118  1  0.306539  0.997208  0.454505  1
  Ni  Ni119  1  0.306539  0.497208  0.454505  1
  Ni  Ni120  1  0.879683  0.525228  0.474468  1
  Ni  Ni121  1  0.518924  0.740139  0.515878  1
  Ni  Ni122  1  0.944805  0.711903  0.495525  1
  Ni  Ni123  1  0.944805  0.211903  0.495525  1
  Ni  Ni124  1  0.518924  0.240139  0.515878  1
  Ni  Ni125  1  0.668113  0.887790  0.484328  1
  Ni  Ni126  1  0.242076  0.916833  0.504701  1
  Ni  Ni127  1  0.242076  0.416833  0.504701  1
  Ni  Ni128  1  0.668113  0.387790  0.484328  1
  Ni  Ni129  1  0.654899  0.703045  0.484349  1
  Ni  Ni130  1  0.227674  0.731536  0.504411  1
  Ni  Ni131  1  0.227674  0.231536  0.504411  1
  Ni  Ni132  1  0.654899  0.203045  0.484349  1
  Ni  Ni133  1  0.162675  0.045327  0.483486  1
  Ni  Ni134  1  0.736793  0.073563  0.503839  1
  Ni  Ni135  1  0.736793  0.573563  0.503839  1
  Ni  Ni136  1  0.162675  0.545327  0.483486  1
  Ni  Ni137  1  0.013485  0.897677  0.515035  1
  Ni  Ni138  1  0.439522  0.868633  0.494663  1
  Ni  Ni139  1  0.439522  0.368633  0.494663  1
  Ni  Ni140  1  0.013485  0.397677  0.515035  1
  Ni  Ni141  1  0.026699  0.082421  0.515015  1
  Ni  Ni142  1  0.453925  0.053930  0.494952  1
  Ni  Ni143  1  0.453925  0.553930  0.494952  1
  Ni  Ni144  1  0.026699  0.582421  0.515015  1
  Ni  Ni145  1  0.666068  0.796944  0.556647  1
  Ni  Ni146  1  0.092543  0.769308  0.536079  1
  Ni  Ni147  1  0.092543  0.269308  0.536079  1
  Ni  Ni148  1  0.666068  0.296944  0.556647  1
  Ni  Ni149  1  0.815380  0.944992  0.524977  1
  Ni  Ni150  1  0.389709  0.973772  0.545304  1
  Ni  Ni151  1  0.389709  0.473772  0.545304  1
  Ni  Ni152  1  0.815380  0.444992  0.524977  1
  Ni  Ni153  1  0.801915  0.760238  0.524895  1
  Ni  Ni154  1  0.375059  0.788259  0.544858  1
  Ni  Ni155  1  0.375059  0.288259  0.544858  1
  Ni  Ni156  1  0.801915  0.260238  0.524895  1
  Ni  Ni157  1  0.310652  0.102278  0.524118  1
  Ni  Ni158  1  0.884459  0.131089  0.544427  1
  Ni  Ni159  1  0.884459  0.631089  0.544427  1
  Ni  Ni160  1  0.310652  0.602278  0.524118  1
  Ni  Ni161  1  0.161544  0.954927  0.555633  1
  Ni  Ni162  1  0.587127  0.925597  0.535195  1
  Ni  Ni163  1  0.587127  0.425597  0.535195  1
  Ni  Ni164  1  0.161544  0.454927  0.555633  1
  Ni  Ni165  1  0.173999  0.139382  0.555356  1
  Ni  Ni166  1  0.601168  0.110762  0.535462  1
  Ni  Ni167  1  0.601168  0.610762  0.535462  1
  Ni  Ni168  1  0.173999  0.639382  0.555356  1
  Ni  Ni169  1  0.812830  0.853637  0.597334  1
  Ni  Ni170  1  0.240647  0.826367  0.576670  1
  Ni  Ni171  1  0.240647  0.326367  0.576670  1
  Ni  Ni172  1  0.812830  0.353637  0.597334  1
  Ni  Ni173  1  0.962739  1.002275  0.565531  1
  Ni  Ni174  1  0.537364  0.030575  0.585967  1
  Ni  Ni175  1  0.537364  0.530575  0.585967  1
  Ni  Ni176  1  0.962739  0.502275  0.565531  1
  Ni  Ni177  1  0.949490  0.817650  0.565465  1
  Ni  Ni178  1  0.521358  0.844601  0.585320  1
  Ni  Ni179  1  0.521358  0.344601  0.585320  1
  Ni  Ni180  1  0.949490  0.317650  0.565465  1
  Ni  Ni181  1  0.458388  0.159079  0.564882  1
  Ni  Ni182  1  0.033182  0.188771  0.584981  1
  Ni  Ni183  1  0.033182  0.688771  0.584981  1
  Ni  Ni184  1  0.458388  0.659079  0.564882  1
  Ni  Ni185  1  0.309284  0.012197  0.596569  1
  Ni  Ni186  1  0.734318  0.982699  0.575752  1
  Ni  Ni187  1  0.734318  0.482699  0.575752  1
  Ni  Ni188  1  0.309284  0.512197  0.596569  1
  Ni  Ni189  1  0.320409  0.196081  0.595755  1
  Ni  Ni190  1  0.748151  0.167603  0.575956  1
  Ni  Ni191  1  0.748151  0.667603  0.575956  1
  Ni  Ni192  1  0.320409  0.696081  0.595755  1
  Ni  Ni193  1  0.961261  0.912754  0.636845  1
  Ni  Ni194  1  0.387349  0.884049  0.617311  1
  Ni  Ni195  1  0.387349  0.384049  0.617311  1
  Ni  Ni196  1  0.961261  0.412754  0.636845  1
  Ni  Ni197  1  0.111115  0.059867  0.605959  1
  Ni  Ni198  1  0.685839  0.085789  0.626661  1
  Ni  Ni199  1  0.685839  0.585789  0.626661  1
  Ni  Ni200  1  0.111115  0.559867  0.605959  1
  Ni  Ni201  1  0.099149  0.875256  0.605885  1
  Ni  Ni202  1  0.667113  0.898755  0.625327  1
  Ni  Ni203  1  0.667113  0.398755  0.625327  1
  Ni  Ni204  1  0.099149  0.375256  0.605885  1
  Ni  Ni205  1  0.606445  0.214893  0.606011  1
  Ni  Ni206  1  0.181442  0.245049  0.626014  1
  Ni  Ni207  1  0.181442  0.745049  0.626014  1
  Ni  Ni208  1  0.606445  0.714893  0.606011  1
  Ni  Ni209  1  0.457075  0.069142  0.637469  1
  Ni  Ni210  1  0.882222  0.040840  0.616014  1
  Ni  Ni211  1  0.882222  0.540840  0.616014  1
  Ni  Ni212  1  0.457075  0.569142  0.637469  1
  Ni  Ni213  1  0.464829  0.251778  0.635772  1
  Ni  Ni214  1  0.895787  0.225549  0.615984  1
  Ni  Ni215  1  0.895787  0.725549  0.615984  1
  Ni  Ni216  1  0.464829  0.751778  0.635772  1
  Ni  Ni217  1  0.101961  0.969132  0.678476  1
  Ni  Ni218  1  0.536122  0.939536  0.657324  1
  Ni  Ni219  1  0.536122  0.439536  0.657324  1
  Ni  Ni220  1  0.101961  0.469132  0.678476  1
  Ni  Ni221  1  0.258598  0.113663  0.646589  1
  Ni  Ni222  1  0.842258  0.137444  0.665154  1
  Ni  Ni223  1  0.842258  0.637444  0.665154  1
  Ni  Ni224  1  0.258598  0.613663  0.646589  1
  Ni  Ni225  1  0.245794  0.932792  0.647547  1
  Ni  Ni226  1  0.810656  0.951543  0.663730  1
  Ni  Ni227  1  0.810656  0.451543  0.663730  1
  Ni  Ni228  1  0.245794  0.432792  0.647547  1
  Ni  Ni229  1  0.755989  0.267959  0.647565  1
  Ni  Ni230  1  0.325709  0.300885  0.665525  1
  Ni  Ni231  1  0.325709  0.800885  0.665525  1
  Ni  Ni232  1  0.755989  0.767959  0.647565  1
  Ni  Ni233  1  0.609983  0.124036  0.677656  1
  Ni  Ni234  1  0.031384  0.099041  0.656379  1
  Ni  Ni235  1  0.031384  0.599041  0.656379  1
  Ni  Ni236  1  0.609983  0.624036  0.677656  1
  Ni  Ni237  1  0.609108  0.305391  0.675067  1
  Ni  Ni238  1  0.045263  0.286612  0.655142  1
  Ni  Ni239  1  0.045263  0.786612  0.655142  1
  Ni  Ni240  1  0.609108  0.805391  0.675067  1
  Ni  Ni241  1  0.253789  0.025582  0.714642  1
  Ni  Ni242  1  0.687322  0.993378  0.697652  1
  Ni  Ni243  1  0.687322  0.493378  0.697652  1
  Ni  Ni244  1  0.253789  0.525582  0.714642  1
  Ni  Ni245  1  0.406081  0.172211  0.686402  1
  Ni  Ni246  1  0.997774  0.205697  0.701628  1
  Ni  Ni247  1  0.997774  0.705697  0.701628  1
  Ni  Ni248  1  0.406081  0.672211  0.686402  1
  Ni  Ni249  1  0.398250  0.989611  0.686866  1
  Ni  Ni250  1  0.940569  0.019158  0.703236  1
  Ni  Ni251  1  0.940569  0.519158  0.703236  1
  Ni  Ni252  1  0.398250  0.489611  0.686866  1
  Ni  Ni253  1  0.907341  0.332344  0.685794  1
  Ni  Ni254  1  0.468651  0.355752  0.704410  1
  Ni  Ni255  1  0.468651  0.855752  0.704410  1
  Ni  Ni256  1  0.907341  0.832344  0.685794  1
  Ni  Ni257  1  0.782239  0.178182  0.711346  1
  Ni  Ni258  1  0.184209  0.156605  0.695234  1
  Ni  Ni259  1  0.184209  0.656605  0.695234  1
  Ni  Ni260  1  0.782239  0.678182  0.711346  1
  Ni  Ni261  1  0.753619  0.354891  0.712055  1
  Ni  Ni262  1  0.196753  0.344432  0.696465  1
  Ni  Ni263  1  0.196753  0.844432  0.696465  1
  Ni  Ni264  1  0.753619  0.854891  0.712055  1
  H  H265  1  0.958968  0.536199  0.306962  1
  H  H266  1  0.355304  0.521507  0.296184  1
  H  H267  1  0.355304  0.021507  0.296184  1
  H  H268  1  0.958968  0.036199  0.306962  1
  H  H269  1  0.283889  0.705405  0.281280  1
  H  H270  1  0.828423  0.686991  0.291930  1
  H  H271  1  0.828423  0.186991  0.291930  1
  H  H272  1  0.283889  0.205405  0.281280  1
  H  H273  1  0.089986  0.594950  0.353446  1
  H  H274  1  0.543093  0.552967  0.325914  1
  H  H275  1  0.543093  0.052967  0.325914  1
  H  H276  1  0.089986  0.094950  0.353446  1
  H  H277  1  0.413458  0.733252  0.318322  1
  H  H278  1  0.987038  0.761377  0.338117  1
  H  H279  1  0.987038  0.261377  0.338117  1
  H  H280  1  0.413458  0.233252  0.318322  1
  H  H281  1  0.237307  0.650590  0.395045  1
  H  H282  1  0.661173  0.619759  0.375307  1
  H  H283  1  0.661173  0.119759  0.375307  1
  H  H284  1  0.237307  0.150590  0.395045  1
  H  H285  1  0.558797  0.793004  0.360449  1
  H  H286  1  0.131206  0.822007  0.381248  1
  H  H287  1  0.131206  0.322007  0.381248  1
  H  H288  1  0.558797  0.293004  0.360449  1
  H  H289  1  0.385322  0.707292  0.435694  1
  H  H290  1  0.811039  0.678237  0.415772  1
  H  H291  1  0.811039  0.178237  0.415772  1
  H  H292  1  0.385322  0.207292  0.435694  1
  H  H293  1  0.704916  0.850422  0.401775  1
  H  H294  1  0.279582  0.878185  0.421638  1
  H  H295  1  0.279582  0.378185  0.421638  1
  H  H296  1  0.704916  0.350422  0.401775  1
  H  H297  1  0.533075  0.764109  0.476343  1
  H  H298  1  0.959172  0.735924  0.456084  1
  H  H299  1  0.959172  0.235924  0.456084  1
  H  H300  1  0.533075  0.264109  0.476343  1
  H  H301  1  0.854148  0.907022  0.441687  1
  H  H302  1  0.427156  0.935409  0.462219  1
  H  H303  1  0.427156  0.435409  0.462219  1
  H  H304  1  0.854148  0.407022  0.441687  1
  H  H305  1  0.680452  0.821319  0.517014  1
  H  H306  1  0.106776  0.792966  0.496590  1
  H  H307  1  0.106776  0.292966  0.496590  1
  H  H308  1  0.680452  0.321319  0.517014  1
  H  H309  1  1.001146  0.964147  0.482350  1
  H  H310  1  0.574822  0.992500  0.502774  1
  H  H311  1  0.574822  0.492500  0.502774  1
  H  H312  1  1.001146  0.464147  0.482350  1
  H  H313  1  0.827451  0.878444  0.557676  1
  H  H314  1  0.254442  0.850057  0.537144  1
  H  H315  1  0.254442  0.350057  0.537144  1
  H  H316  1  0.827451  0.378444  0.557676  1
  H  H317  1  0.148524  0.021358  0.523020  1
  H  H318  1  0.722426  0.049543  0.543279  1
  H  H319  1  0.722426  0.549543  0.543279  1
  H  H320  1  0.148524  0.521358  0.523020  1
  H  H321  1  0.976683  0.935044  0.597589  1
  H  H322  1  0.402016  0.907281  0.577726  1
  H  H323  1  0.402016  0.407281  0.577726  1
  H  H324  1  0.976683  0.435044  0.597589  1
  H  H325  1  0.296276  0.078174  0.563669  1
  H  H326  1  0.870560  0.107229  0.583591  1
  H  H327  1  0.870560  0.607229  0.583591  1
  H  H328  1  0.296276  0.578174  0.563669  1
  H  H329  1  0.122801  0.992462  0.638914  1
  H  H330  1  0.550392  0.963459  0.618115  1
  H  H331  1  0.550392  0.463459  0.618115  1
  H  H332  1  0.122801  0.492462  0.638914  1
  H  H333  1  0.444291  0.134876  0.604318  1
  H  H334  1  0.020425  0.165707  0.624056  1
  H  H335  1  0.020425  0.665707  0.624056  1
  H  H336  1  0.444291  0.634876  0.604318  1
  H  H337  1  0.268140  0.052215  0.681041  1
  H  H338  1  0.694560  0.024090  0.661246  1
  H  H339  1  0.694560  0.524090  0.661246  1
  H  H340  1  0.268140  0.552215  0.681041  1
  H  H341  1  0.591613  0.190516  0.645917  1
  H  H342  1  0.138506  0.232499  0.673450  1
  H  H343  1  0.138506  0.732499  0.673450  1
  H  H344  1  0.591613  0.690516  0.645917  1
  H  H345  1  0.397710  0.080062  0.718083  1
  H  H346  1  0.853175  0.098476  0.707433  1
  H  H347  1  0.853175  0.598476  0.707433  1
  H  H348  1  0.397710  0.580062  0.718083  1
  H  H349  1  0.722630  0.249267  0.692401  1
  H  H350  1  0.326294  0.263960  0.703180  1
  H  H351  1  0.326294  0.763960  0.703180  1
  H  H352  1  0.722630  0.749267  0.692401  1
