# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39312636
_cell_length_b   12.32486377
_cell_length_c   47.35547124
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.80216939
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni120 H40'
_cell_volume   3125.54019303
_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  0.548367  0.079701  0.295900  1
  Ni  Ni2  1  0.647646  0.596411  0.278765  1
  Ni  Ni3  1  0.732930  0.894230  0.295653  1
  Ni  Ni4  1  0.822471  0.412200  0.278488  1
  Ni  Ni5  1  0.106091  0.087698  0.281322  1
  Ni  Ni6  1  0.050563  0.575325  0.298338  1
  Ni  Ni7  1  0.392769  0.733177  0.295716  1
  Ni  Ni8  1  0.421886  0.258242  0.279461  1
  Ni  Ni9  1  0.226358  0.914694  0.300306  1
  Ni  Ni10  1  0.328350  0.440997  0.280731  1
  Ni  Ni11  1  0.981487  0.754205  0.278932  1
  Ni  Ni12  1  0.876878  0.235639  0.295799  1
  Ni  Ni13  1  0.334691  0.028467  0.342630  1
  Ni  Ni14  1  0.437264  0.550110  0.322913  1
  Ni  Ni15  1  0.504128  0.843687  0.340241  1
  Ni  Ni16  1  0.590895  0.364335  0.320788  1
  Ni  Ni17  1  0.903002  0.042456  0.324629  1
  Ni  Ni18  1  0.833122  0.524819  0.343077  1
  Ni  Ni19  1  0.173668  0.684544  0.341951  1
  Ni  Ni20  1  0.244999  0.202875  0.322993  1
  Ni  Ni21  1  1.004315  0.867910  0.345682  1
  Ni  Ni22  1  0.099116  0.388399  0.322641  1
  Ni  Ni23  1  0.774387  0.708657  0.322123  1
  Ni  Ni24  1  0.662594  0.185489  0.342106  1
  Ni  Ni25  1  0.122187  0.980475  0.389393  1
  Ni  Ni26  1  0.225825  0.501586  0.367466  1
  Ni  Ni27  1  0.285332  0.793316  0.386338  1
  Ni  Ni28  1  0.381829  0.317110  0.365618  1
  Ni  Ni29  1  0.701228  0.994629  0.369757  1
  Ni  Ni30  1  0.615999  0.475946  0.390198  1
  Ni  Ni31  1  0.957257  0.632510  0.388479  1
  Ni  Ni32  1  0.040804  0.155898  0.367431  1
  Ni  Ni33  1  0.792623  0.818704  0.392416  1
  Ni  Ni34  1  0.885109  0.342817  0.368326  1
  Ni  Ni35  1  0.567316  0.661645  0.366910  1
  Ni  Ni36  1  0.457560  0.138465  0.388677  1
  Ni  Ni37  1  0.910532  0.931154  0.435821  1
  Ni  Ni38  1  0.016625  0.454201  0.413127  1
  Ni  Ni39  1  0.072091  0.743265  0.432675  1
  Ni  Ni40  1  0.168573  0.267707  0.410587  1
  Ni  Ni41  1  0.493391  0.946155  0.414686  1
  Ni  Ni42  1  0.398569  0.424716  0.436504  1
  Ni  Ni43  1  0.741693  0.582874  0.435062  1
  Ni  Ni44  1  0.835578  0.106443  0.413078  1
  Ni  Ni45  1  0.580093  0.769630  0.438532  1
  Ni  Ni46  1  0.681092  0.294880  0.415182  1
  Ni  Ni47  1  0.357208  0.613307  0.412388  1
  Ni  Ni48  1  0.249250  0.089627  0.434778  1
  Ni  Ni49  1  0.699827  0.881833  0.481943  1
  Ni  Ni50  1  0.803653  0.405881  0.459230  1
  Ni  Ni51  1  0.859524  0.693809  0.478954  1
  Ni  Ni52  1  0.959769  0.218346  0.456372  1
  Ni  Ni53  1  0.285845  0.897836  0.460184  1
  Ni  Ni54  1  0.184292  0.374928  0.482488  1
  Ni  Ni55  1  0.527149  0.533308  0.481300  1
  Ni  Ni56  1  0.627044  0.057115  0.458773  1
  Ni  Ni57  1  0.368322  0.720588  0.484454  1
  Ni  Ni58  1  0.470031  0.245451  0.461472  1
  Ni  Ni59  1  0.145609  0.564205  0.458178  1
  Ni  Ni60  1  0.040013  0.040585  0.480694  1
  Ni  Ni61  1  0.490099  0.832713  0.527858  1
  Ni  Ni62  1  0.589994  0.356520  0.505331  1
  Ni  Ni63  1  0.647112  0.644377  0.525159  1
  Ni  Ni64  1  0.748821  0.169240  0.502177  1
  Ni  Ni65  1  0.077130  0.849242  0.505937  1
  Ni  Ni66  1  0.971534  0.325623  0.528453  1
  Ni  Ni67  1  0.313490  0.483947  0.527401  1
  Ni  Ni68  1  0.417316  1.007995  0.504689  1
  Ni  Ni69  1  0.157374  0.671481  0.530260  1
  Ni  Ni70  1  0.257619  0.196018  0.507677  1
  Ni  Ni71  1  0.932851  0.514899  0.504143  1
  Ni  Ni72  1  0.831298  0.991992  0.526447  1
  Ni  Ni73  1  0.281565  0.783385  0.573553  1
  Ni  Ni74  1  0.375450  0.306954  0.551569  1
  Ni  Ni75  1  0.436051  0.594948  0.571449  1
  Ni  Ni76  1  0.537050  0.120198  0.548099  1
  Ni  Ni77  1  0.867893  0.800201  0.551853  1
  Ni  Ni78  1  0.759935  0.276521  0.574243  1
  Ni  Ni79  1  0.100518  0.435627  0.573504  1
  Ni  Ni80  1  0.206611  0.958673  0.550810  1
  Ni  Ni81  1  0.948570  0.622120  0.576044  1
  Ni  Ni82  1  0.045052  0.146563  0.553956  1
  Ni  Ni83  1  0.718574  0.465112  0.550127  1
  Ni  Ni84  1  0.623752  0.943673  0.571945  1
  Ni  Ni85  1  0.076339  0.733930  0.619200  1
  Ni  Ni86  1  0.159886  0.257317  0.598152  1
  Ni  Ni87  1  0.232034  0.547011  0.618305  1
  Ni  Ni88  1  0.324520  0.071124  0.594215  1
  Ni  Ni89  1  0.659583  0.751363  0.597954  1
  Ni  Ni90  1  0.549827  0.228183  0.619721  1
  Ni  Ni91  1  0.891318  0.388242  0.619165  1
  Ni  Ni92  1  0.994956  0.909353  0.597238  1
  Ni  Ni93  1  0.735314  0.572718  0.621013  1
  Ni  Ni94  1  0.831811  0.096512  0.600293  1
  Ni  Ni95  1  0.501144  0.413882  0.596433  1
  Ni  Ni96  1  0.415915  0.895198  0.616874  1
  Ni  Ni97  1  0.872144  0.686952  0.663638  1
  Ni  Ni98  1  0.943475  0.205284  0.644680  1
  Ni  Ni99  1  0.018027  0.501429  0.663991  1
  Ni  Ni100  1  0.112828  0.021918  0.640949  1
  Ni  Ni101  1  0.454549  0.704339  0.644525  1
  Ni  Ni102  1  0.342756  0.181171  0.664508  1
  Ni  Ni103  1  0.679879  0.339718  0.663718  1
  Ni  Ni104  1  0.782452  0.861361  0.644001  1
  Ni  Ni105  1  0.526248  0.525493  0.665843  1
  Ni  Ni106  1  0.613015  0.046141  0.646390  1
  Ni  Ni107  1  0.284021  0.365009  0.643554  1
  Ni  Ni108  1  0.214141  0.847372  0.662002  1
  Ni  Ni109  1  0.695257  0.631586  0.707170  1
  Ni  Ni110  1  0.724374  0.156651  0.690915  1
  Ni  Ni111  1  0.788793  0.448830  0.705900  1
  Ni  Ni112  1  0.890785  0.975134  0.686325  1
  Ni  Ni113  1  0.240265  0.654189  0.690832  1
  Ni  Ni114  1  0.135656  0.135623  0.707699  1
  Ni  Ni115  1  0.469497  0.293417  0.707866  1
  Ni  Ni116  1  0.568776  0.810127  0.690731  1
  Ni  Ni117  1  0.294672  0.477627  0.708143  1
  Ni  Ni118  1  0.384213  0.995598  0.690978  1
  Ni  Ni119  1  0.066580  0.314503  0.688293  1
  Ni  Ni120  1  0.011052  0.802130  0.705309  1
  H  H121  1  0.823251  0.024748  0.282427  1
  H  H122  1  0.679650  0.492743  0.299487  1
  H  H123  1  0.247462  0.817432  0.267921  1
  H  H124  1  0.099648  0.340614  0.280223  1
  H  H125  1  0.536134  0.961551  0.315750  1
  H  H126  1  0.520329  0.452505  0.351572  1
  H  H127  1  0.120151  0.784299  0.313926  1
  H  H128  1  0.965531  0.256916  0.335900  1
  H  H129  1  0.361080  0.920904  0.368837  1
  H  H130  1  0.299669  0.402906  0.396942  1
  H  H131  1  0.919898  0.739143  0.362657  1
  H  H132  1  0.794114  0.213948  0.385429  1
  H  H133  1  0.152347  0.871816  0.415858  1
  H  H134  1  0.057248  0.349167  0.440468  1
  H  H135  1  0.704150  0.688994  0.408647  1
  H  H136  1  0.587549  0.165086  0.431707  1
  H  H137  1  0.944861  0.822832  0.462376  1
  H  H138  1  0.842291  0.299631  0.486181  1
  H  H139  1  0.489021  0.639582  0.454571  1
  H  H140  1  0.380223  0.115972  0.477936  1
  H  H141  1  0.736919  0.773856  0.508696  1
  H  H142  1  0.628122  0.250246  0.532060  1
  H  H143  1  0.274852  0.590196  0.500450  1
  H  H144  1  0.172282  0.066995  0.524255  1
  H  H145  1  0.529594  0.724742  0.554924  1
  H  H146  1  0.412993  0.200834  0.577984  1
  H  H147  1  0.059895  0.540661  0.546163  1
  H  H148  1  0.964796  0.018012  0.570773  1
  H  H149  1  0.323029  0.675880  0.601202  1
  H  H150  1  0.197245  0.150684  0.623974  1
  H  H151  1  0.817473  0.486922  0.589689  1
  H  H152  1  0.756063  0.968924  0.617794  1
  H  H153  1  0.151612  0.632912  0.650731  1
  H  H154  1  0.996992  0.105529  0.672706  1
  H  H155  1  0.596814  0.437323  0.635059  1
  H  H156  1  0.581009  0.928277  0.670881  1
  H  H157  1  0.017495  0.549214  0.706408  1
  H  H158  1  0.869680  0.072396  0.718710  1
  H  H159  1  0.437493  0.397085  0.687144  1
  H  H160  1  0.293892  0.865079  0.704204  1
