# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01731904
_cell_length_b   8.66296305
_cell_length_c   54.01043257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.50923451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni108 H36'
_cell_volume   2791.29990749
_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  0.555554  0.346132  0.311899  1
  Ni  Ni2  1  0.590165  0.592292  0.289381  1
  Ni  Ni3  1  0.620306  0.814393  0.262782  1
  Ni  Ni4  1  0.944748  0.304633  0.302427  1
  Ni  Ni5  1  0.981877  0.546587  0.279426  1
  Ni  Ni6  1  1.002593  0.787871  0.256968  1
  Ni  Ni7  1  0.613401  0.216265  0.273632  1
  Ni  Ni8  1  0.659448  0.476728  0.253142  1
  Ni  Ni9  1  0.570508  0.972210  0.299945  1
  Ni  Ni10  1  0.248833  0.518086  0.313911  1
  Ni  Ni11  1  0.283125  0.756213  0.287818  1
  Ni  Ni12  1  0.323917  0.999037  0.262829  1
  Ni  Ni13  1  0.850235  0.568052  0.324881  1
  Ni  Ni14  1  0.887724  0.811723  0.300356  1
  Ni  Ni15  1  0.915133  0.051901  0.275785  1
  Ni  Ni16  1  0.292212  0.372299  0.275190  1
  Ni  Ni17  1  0.217508  0.890583  0.326193  1
  Ni  Ni18  1  0.255515  0.130725  0.299858  1
  Ni  Ni19  1  0.427553  0.625756  0.389471  1
  Ni  Ni20  1  0.468186  0.870233  0.364283  1
  Ni  Ni21  1  0.514272  0.110185  0.337502  1
  Ni  Ni22  1  0.826838  0.581327  0.379133  1
  Ni  Ni23  1  0.869027  0.824316  0.353625  1
  Ni  Ni24  1  0.906927  0.061254  0.326454  1
  Ni  Ni25  1  0.502546  0.496255  0.351193  1
  Ni  Ni26  1  0.540694  0.740263  0.326740  1
  Ni  Ni27  1  0.462791  0.257585  0.376715  1
  Ni  Ni28  1  0.126018  0.800883  0.390187  1
  Ni  Ni29  1  0.167090  0.042369  0.364127  1
  Ni  Ni30  1  0.207201  0.278399  0.338476  1
  Ni  Ni31  1  0.725304  0.844530  0.400560  1
  Ni  Ni32  1  0.768505  0.085206  0.374423  1
  Ni  Ni33  1  0.811082  0.326638  0.349607  1
  Ni  Ni34  1  0.175684  0.649879  0.351835  1
  Ni  Ni35  1  0.088302  0.162901  0.402991  1
  Ni  Ni36  1  0.134365  0.406974  0.377209  1
  Ni  Ni37  1  0.297157  0.897845  0.466674  1
  Ni  Ni38  1  0.339945  0.140633  0.441071  1
  Ni  Ni39  1  0.383806  0.382411  0.415122  1
  Ni  Ni40  1  0.699186  0.854468  0.456371  1
  Ni  Ni41  1  0.742129  0.097073  0.430767  1
  Ni  Ni42  1  0.784926  0.338863  0.404811  1
  Ni  Ni43  1  0.378560  0.777133  0.428108  1
  Ni  Ni44  1  0.420902  0.019412  0.402649  1
  Ni  Ni45  1  0.336062  0.535165  0.453654  1
  Ni  Ni46  1  0.998432  0.074336  0.467198  1
  Ni  Ni47  1  0.041635  0.316480  0.441366  1
  Ni  Ni48  1  0.084414  0.558423  0.415650  1
  Ni  Ni49  1  0.596401  0.117472  0.477447  1
  Ni  Ni50  1  0.639507  0.359564  0.451639  1
  Ni  Ni51  1  0.682526  0.601615  0.425974  1
  Ni  Ni52  1  0.045908  0.921120  0.428794  1
  Ni  Ni53  1  0.959382  0.435716  0.479995  1
  Ni  Ni54  1  1.002605  0.678161  0.454315  1
  Ni  Ni55  1  0.168166  0.170966  0.543798  1
  Ni  Ni56  1  0.210944  0.412908  0.518083  1
  Ni  Ni57  1  0.254148  0.655052  0.492251  1
  Ni  Ni58  1  0.570054  0.127773  0.533474  1
  Ni  Ni59  1  0.613073  0.369824  0.507809  1
  Ni  Ni60  1  0.656179  0.611917  0.482001  1
  Ni  Ni61  1  0.249975  0.051228  0.505134  1
  Ni  Ni62  1  0.293198  0.293673  0.479454  1
  Ni  Ni63  1  0.206672  0.808269  0.530654  1
  Ni  Ni64  1  0.868774  0.346978  0.544326  1
  Ni  Ni65  1  0.912635  0.588755  0.518378  1
  Ni  Ni66  1  0.955422  0.831543  0.492774  1
  Ni  Ni67  1  0.467654  0.390525  0.554638  1
  Ni  Ni68  1  0.510451  0.632315  0.528681  1
  Ni  Ni69  1  0.553394  0.874921  0.503078  1
  Ni  Ni70  1  0.916518  0.194224  0.505795  1
  Ni  Ni71  1  0.831678  0.709976  0.556800  1
  Ni  Ni72  1  0.874020  0.952256  0.531340  1
  Ni  Ni73  1  0.045379  0.450990  0.620972  1
  Ni  Ni74  1  0.085490  0.687019  0.595321  1
  Ni  Ni75  1  0.126562  0.928505  0.569262  1
  Ni  Ni76  1  0.441498  0.402750  0.609842  1
  Ni  Ni77  1  0.484075  0.644182  0.585025  1
  Ni  Ni78  1  0.527276  0.884858  0.558889  1
  Ni  Ni79  1  0.118215  0.322414  0.582240  1
  Ni  Ni80  1  0.164278  0.566487  0.556457  1
  Ni  Ni81  1  0.076896  0.079509  0.607614  1
  Ni  Ni82  1  0.738308  0.619204  0.621947  1
  Ni  Ni83  1  0.784394  0.859155  0.595166  1
  Ni  Ni84  1  0.825027  0.103632  0.569977  1
  Ni  Ni85  1  0.345653  0.668134  0.632995  1
  Ni  Ni86  1  0.383553  0.905072  0.605824  1
  Ni  Ni87  1  0.425741  0.148061  0.580316  1
  Ni  Ni88  1  0.789789  0.471804  0.582734  1
  Ni  Ni89  1  0.711886  0.989125  0.632709  1
  Ni  Ni90  1  0.750034  0.233133  0.608256  1
  Ni  Ni91  1  0.928662  0.730351  0.696620  1
  Ni  Ni92  1  0.969455  0.973176  0.671630  1
  Ni  Ni93  1  1.003746  0.211303  0.645538  1
  Ni  Ni94  1  0.337447  0.677487  0.683664  1
  Ni  Ni95  1  0.364855  0.917665  0.659093  1
  Ni  Ni96  1  0.402345  0.161336  0.634567  1
  Ni  Ni97  1  0.997065  0.598663  0.659591  1
  Ni  Ni98  1  0.035071  0.838805  0.633256  1
  Ni  Ni99  1  0.960368  0.357089  0.684259  1
  Ni  Ni100  1  0.632274  0.914995  0.696667  1
  Ni  Ni101  1  0.662414  0.137096  0.670068  1
  Ni  Ni102  1  0.697025  0.383256  0.647549  1
  Ni  Ni103  1  0.249987  0.941517  0.702481  1
  Ni  Ni104  1  0.270703  0.182801  0.680022  1
  Ni  Ni105  1  0.307831  0.424755  0.657022  1
  Ni  Ni106  1  0.682072  0.757178  0.659503  1
  Ni  Ni107  1  0.593132  0.252661  0.706307  1
  Ni  Ni108  1  0.639179  0.513123  0.685817  1
  H  H109  1  0.740965  0.402615  0.279294  1
  H  H110  1  0.772044  0.655558  0.257119  1
  H  H111  1  0.719424  0.155376  0.303489  1
  H  H112  1  0.339908  0.192513  0.264632  1
  H  H113  1  0.093662  0.686927  0.312679  1
  H  H114  1  0.105455  0.923995  0.277765  1
  H  H115  1  0.624524  0.702065  0.364584  1
  H  H116  1  0.666984  0.946669  0.339234  1
  H  H117  1  0.583671  0.459506  0.390147  1
  H  H118  1  0.055226  0.448255  0.339644  1
  H  H119  1  0.967057  0.962981  0.389046  1
  H  H120  1  0.018982  0.215032  0.367014  1
  H  H121  1  0.499339  0.977354  0.442023  1
  H  H122  1  0.542816  0.219480  0.416354  1
  H  H123  1  0.456523  0.734733  0.467601  1
  H  H124  1  0.925157  0.721706  0.414969  1
  H  H125  1  0.838568  0.236484  0.465979  1
  H  H126  1  0.881973  0.478795  0.440323  1
  H  H127  1  0.370607  0.250594  0.519125  1
  H  H128  1  0.414012  0.492904  0.493470  1
  H  H129  1  0.327422  1.007683  0.544480  1
  H  H130  1  0.796057  0.994656  0.491848  1
  H  H131  1  0.709764  0.509909  0.543095  1
  H  H132  1  0.753241  0.752034  0.517426  1
  H  H133  1  0.233598  0.514357  0.592435  1
  H  H134  1  0.285522  0.766407  0.570402  1
  H  H135  1  0.197354  0.281133  0.619805  1
  H  H136  1  0.668908  0.269883  0.569301  1
  H  H137  1  0.585596  0.782719  0.620215  1
  H  H138  1  0.628056  0.027323  0.594865  1
  H  H139  1  0.147124  0.805393  0.681683  1
  H  H140  1  0.158918  0.042462  0.646769  1
  H  H141  1  0.912672  0.536876  0.694817  1
  H  H142  1  0.533156  0.574012  0.655960  1
  H  H143  1  0.480536  0.073830  0.702330  1
  H  H144  1  0.511615  0.326773  0.680155  1
