# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02911197
_cell_length_b   12.05878855
_cell_length_c   47.59334927
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.97242790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni132 H44'
_cell_volume   3396.96010066
_cell_formula_units_Z   44
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  0.955771  0.114646  0.283095  1
  Ni  Ni2  1  0.954241  0.614224  0.283059  1
  Ni  Ni3  1  0.221532  0.983090  0.288947  1
  Ni  Ni4  1  0.216389  0.479211  0.288536  1
  Ni  Ni5  1  0.888304  0.816311  0.287864  1
  Ni  Ni6  1  0.888915  0.316130  0.288327  1
  Ni  Ni7  1  0.552833  0.648464  0.288093  1
  Ni  Ni8  1  0.554254  0.149189  0.288918  1
  Ni  Ni9  1  0.287314  0.782257  0.283397  1
  Ni  Ni10  1  0.288808  0.281335  0.282997  1
  Ni  Ni11  1  0.621390  0.948799  0.283003  1
  Ni  Ni12  1  0.622460  0.448210  0.283040  1
  Ni  Ni13  1  0.892744  0.982789  0.321890  1
  Ni  Ni14  1  0.891060  0.478590  0.321833  1
  Ni  Ni15  1  0.161264  0.847253  0.329186  1
  Ni  Ni16  1  0.157321  0.345368  0.329164  1
  Ni  Ni17  1  0.828153  0.678213  0.328658  1
  Ni  Ni18  1  0.827334  0.181152  0.328675  1
  Ni  Ni19  1  0.488264  0.509680  0.328520  1
  Ni  Ni20  1  0.492315  0.014269  0.328784  1
  Ni  Ni21  1  0.219837  0.645292  0.322201  1
  Ni  Ni22  1  0.224605  0.147595  0.322149  1
  Ni  Ni23  1  0.555308  0.815333  0.321845  1
  Ni  Ni24  1  0.558303  0.313124  0.321878  1
  Ni  Ni25  1  0.827083  0.848626  0.363041  1
  Ni  Ni26  1  0.825761  0.347565  0.362507  1
  Ni  Ni27  1  0.094693  0.712573  0.370528  1
  Ni  Ni28  1  0.095154  0.212895  0.370230  1
  Ni  Ni29  1  0.762150  0.544275  0.369973  1
  Ni  Ni30  1  0.763212  0.045895  0.369969  1
  Ni  Ni31  1  0.423956  0.376931  0.369837  1
  Ni  Ni32  1  0.424199  0.878161  0.370107  1
  Ni  Ni33  1  0.153498  0.511716  0.362822  1
  Ni  Ni34  1  0.156206  0.013707  0.362880  1
  Ni  Ni35  1  0.487791  0.680869  0.363036  1
  Ni  Ni36  1  0.489409  0.181491  0.362602  1
  Ni  Ni37  1  0.759361  0.714942  0.404905  1
  Ni  Ni38  1  0.758975  0.215164  0.404667  1
  Ni  Ni39  1  0.027420  0.579180  0.412226  1
  Ni  Ni40  1  0.027618  0.079625  0.412192  1
  Ni  Ni41  1  0.695047  0.411566  0.411834  1
  Ni  Ni42  1  0.695377  0.911914  0.411972  1
  Ni  Ni43  1  0.356080  0.244380  0.411815  1
  Ni  Ni44  1  0.356283  0.744347  0.411998  1
  Ni  Ni45  1  0.087088  0.379385  0.404370  1
  Ni  Ni46  1  0.088121  0.879979  0.404643  1
  Ni  Ni47  1  0.420020  0.547356  0.404782  1
  Ni  Ni48  1  0.420838  0.048102  0.404780  1
  Ni  Ni49  1  0.691692  0.581570  0.446713  1
  Ni  Ni50  1  0.691781  0.081811  0.446708  1
  Ni  Ni51  1  0.959923  0.446072  0.454111  1
  Ni  Ni52  1  0.960041  0.946189  0.454141  1
  Ni  Ni53  1  0.627341  0.278459  0.453875  1
  Ni  Ni54  1  0.627658  0.778406  0.453943  1
  Ni  Ni55  1  0.288403  0.111150  0.453863  1
  Ni  Ni56  1  0.288603  0.610969  0.453905  1
  Ni  Ni57  1  0.020016  0.246604  0.446389  1
  Ni  Ni58  1  0.020405  0.746531  0.446494  1
  Ni  Ni59  1  0.352405  0.414210  0.446590  1
  Ni  Ni60  1  0.352908  0.914448  0.446696  1
  Ni  Ni61  1  0.623954  0.448415  0.488592  1
  Ni  Ni62  1  0.624130  0.948431  0.488626  1
  Ni  Ni63  1  0.892265  0.312948  0.496046  1
  Ni  Ni64  1  0.892440  0.812825  0.496067  1
  Ni  Ni65  1  0.559747  0.145152  0.495818  1
  Ni  Ni66  1  0.560067  0.645087  0.495878  1
  Ni  Ni67  1  0.220807  0.977769  0.495794  1
  Ni  Ni68  1  0.220983  0.477786  0.495827  1
  Ni  Ni69  1  0.952497  0.113376  0.488353  1
  Ni  Ni70  1  0.952672  0.613252  0.488374  1
  Ni  Ni71  1  0.284870  0.281114  0.488542  1
  Ni  Ni72  1  0.285190  0.781048  0.488602  1
  Ni  Ni73  1  0.556334  0.315232  0.530515  1
  Ni  Ni74  1  0.556534  0.815051  0.530557  1
  Ni  Ni75  1  0.824532  0.179669  0.537926  1
  Ni  Ni76  1  0.824921  0.679596  0.538031  1
  Ni  Ni77  1  0.492029  0.011753  0.537724  1
  Ni  Ni78  1  0.492532  0.511991  0.537830  1
  Ni  Ni79  1  0.153156  0.844389  0.537712  1
  Ni  Ni80  1  0.153245  0.344630  0.537707  1
  Ni  Ni81  1  0.884896  0.980011  0.530279  1
  Ni  Ni82  1  0.885014  0.480128  0.530308  1
  Ni  Ni83  1  0.217279  0.147794  0.530477  1
  Ni  Ni84  1  0.217597  0.647741  0.530545  1
  Ni  Ni85  1  0.488654  0.181854  0.572422  1
  Ni  Ni86  1  0.488857  0.681821  0.572605  1
  Ni  Ni87  1  0.756816  0.046222  0.579777  1
  Ni  Ni88  1  0.757850  0.546815  0.580050  1
  Ni  Ni89  1  0.424099  0.878098  0.579640  1
  Ni  Ni90  1  0.424917  0.378845  0.579637  1
  Ni  Ni91  1  0.085963  0.711037  0.579753  1
  Ni  Ni92  1  0.085576  0.211258  0.579515  1
  Ni  Ni93  1  0.817319  0.846576  0.572228  1
  Ni  Ni94  1  0.817518  0.347021  0.572194  1
  Ni  Ni95  1  0.149561  0.014286  0.572448  1
  Ni  Ni96  1  0.149890  0.514635  0.572586  1
  Ni  Ni97  1  0.420739  0.048039  0.614313  1
  Ni  Ni98  1  0.420981  0.549269  0.614583  1
  Ni  Ni99  1  0.688731  0.912493  0.621540  1
  Ni  Ni100  1  0.691439  0.414484  0.621598  1
  Ni  Ni101  1  0.355529  0.744710  0.621818  1
  Ni  Ni102  1  0.357147  0.245332  0.621384  1
  Ni  Ni103  1  0.019176  0.578635  0.621912  1
  Ni  Ni104  1  0.017854  0.077574  0.621379  1
  Ni  Ni105  1  0.749783  0.713305  0.614190  1
  Ni  Ni106  1  0.750244  0.213628  0.613892  1
  Ni  Ni107  1  0.081726  0.880305  0.614451  1
  Ni  Ni108  1  0.082787  0.381925  0.614447  1
  Ni  Ni109  1  0.352622  0.911932  0.655635  1
  Ni  Ni110  1  0.356674  0.416520  0.655900  1
  Ni  Ni111  1  0.620332  0.778606  0.662271  1
  Ni  Ni112  1  0.625100  0.280908  0.662219  1
  Ni  Ni113  1  0.286635  0.613076  0.662541  1
  Ni  Ni114  1  0.289629  0.110867  0.662575  1
  Ni  Ni115  1  0.953877  0.447611  0.662587  1
  Ni  Ni116  1  0.952193  0.943411  0.662530  1
  Ni  Ni117  1  0.687616  0.580832  0.655256  1
  Ni  Ni118  1  0.683673  0.078948  0.655234  1
  Ni  Ni119  1  0.017603  0.745049  0.655745  1
  Ni  Ni120  1  0.016785  0.247987  0.655762  1
  Ni  Ni121  1  0.290684  0.777012  0.695502  1
  Ni  Ni122  1  0.292104  0.277737  0.696327  1
  Ni  Ni123  1  0.556129  0.644865  0.701423  1
  Ni  Ni124  1  0.557623  0.143944  0.701023  1
  Ni  Ni125  1  0.222477  0.477990  0.701380  1
  Ni  Ni126  1  0.223547  0.977401  0.701416  1
  Ni  Ni127  1  0.890697  0.311977  0.701361  1
  Ni  Ni128  1  0.889166  0.811555  0.701325  1
  Ni  Ni129  1  0.628549  0.446989  0.695884  1
  Ni  Ni130  1  0.623405  0.943110  0.695473  1
  Ni  Ni131  1  0.956022  0.610071  0.696093  1
  Ni  Ni132  1  0.956633  0.109890  0.696555  1
  H  H133  1  0.916439  0.967148  0.279993  1
  H  H134  1  0.912730  0.472879  0.280161  1
  H  H135  1  0.579035  0.798975  0.280153  1
  H  H136  1  0.586633  0.300466  0.280048  1
  H  H137  1  0.860312  0.830923  0.323850  1
  H  H138  1  0.136741  0.357271  0.265254  1
  H  H139  1  0.522897  0.662044  0.323720  1
  H  H140  1  0.251683  0.132903  0.280212  1
  H  H141  1  0.793148  0.697717  0.366901  1
  H  H142  1  0.793558  0.198319  0.366677  1
  H  H143  1  0.455514  0.528915  0.366502  1
  H  H144  1  0.457055  0.029934  0.366518  1
  H  H145  1  0.726454  0.563972  0.408600  1
  H  H146  1  0.727044  0.064295  0.408639  1
  H  H147  1  0.388556  0.395105  0.408087  1
  H  H148  1  0.389197  0.895477  0.408233  1
  H  H149  1  0.658786  0.430665  0.450420  1
  H  H150  1  0.659118  0.930819  0.450517  1
  H  H151  1  0.321151  0.261906  0.449986  1
  H  H152  1  0.321501  0.761968  0.450101  1
  H  H153  1  0.591102  0.297523  0.492388  1
  H  H154  1  0.591396  0.797486  0.492456  1
  H  H155  1  0.253542  0.128714  0.491964  1
  H  H156  1  0.253835  0.628678  0.492032  1
  H  H157  1  0.523436  0.164233  0.534319  1
  H  H158  1  0.523786  0.664294  0.534434  1
  H  H159  1  0.185819  0.995382  0.533903  1
  H  H160  1  0.186151  0.495536  0.534000  1
  H  H161  1  0.455740  0.030723  0.576187  1
  H  H162  1  0.456381  0.531095  0.576332  1
  H  H163  1  0.117893  0.861906  0.575781  1
  H  H164  1  0.118483  0.362229  0.575820  1
  H  H165  1  0.387882  0.896266  0.617902  1
  H  H166  1  0.389423  0.397286  0.617918  1
  H  H167  1  0.051379  0.727882  0.617743  1
  H  H168  1  0.051789  0.228483  0.617519  1
  H  H169  1  0.593254  0.793297  0.704207  1
  H  H170  1  0.322040  0.264157  0.660700  1
  H  H171  1  0.708196  0.568930  0.719166  1
  H  H172  1  0.984625  0.095278  0.660570  1
  H  H173  1  0.258304  0.625734  0.704372  1
  H  H174  1  0.265903  0.127226  0.704267  1
  H  H175  1  0.932207  0.453322  0.704259  1
  H  H176  1  0.928498  0.959053  0.704426  1
