# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.72668220
_cell_length_b   6.51708125
_cell_length_c   46.96573857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.95809043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni162 H54'
_cell_volume   4452.55536626
_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  0.755984  0.865674  0.294441  1
  Ni  Ni2  1  0.085982  0.842226  0.307783  1
  Ni  Ni3  1  0.418728  0.812339  0.317709  1
  Ni  Ni4  1  0.816918  0.444302  0.318579  1
  Ni  Ni5  1  0.151938  0.508864  0.297157  1
  Ni  Ni6  1  0.485465  0.485112  0.306206  1
  Ni  Ni7  1  0.914318  0.826048  0.302927  1
  Ni  Ni8  1  0.250452  0.824679  0.312758  1
  Ni  Ni9  1  0.584128  0.788736  0.324441  1
  Ni  Ni10  1  0.034079  0.173625  0.298795  1
  Ni  Ni11  1  0.364473  0.154629  0.307845  1
  Ni  Ni12  1  0.695513  0.133196  0.319514  1
  Ni  Ni13  1  0.987119  0.505192  0.312257  1
  Ni  Ni14  1  0.309645  0.482988  0.321539  1
  Ni  Ni15  1  0.666665  0.510327  0.298987  1
  Ni  Ni16  1  0.874743  0.183302  0.291110  1
  Ni  Ni17  1  0.200768  0.170039  0.306113  1
  Ni  Ni18  1  0.530240  0.138301  0.312147  1
  Ni  Ni19  1  0.735030  0.715142  0.339728  1
  Ni  Ni20  1  0.056522  0.684925  0.355601  1
  Ni  Ni21  1  0.381356  0.656096  0.365509  1
  Ni  Ni22  1  0.762033  0.276343  0.366678  1
  Ni  Ni23  1  0.115167  0.351997  0.341625  1
  Ni  Ni24  1  0.438489  0.324397  0.350991  1
  Ni  Ni25  1  0.894348  0.697347  0.350740  1
  Ni  Ni26  1  0.216195  0.660921  0.358850  1
  Ni  Ni27  1  0.538559  0.623094  0.373685  1
  Ni  Ni28  1  1.001679  0.023607  0.344232  1
  Ni  Ni29  1  0.330610  0.994442  0.354502  1
  Ni  Ni30  1  0.655167  0.948284  0.369537  1
  Ni  Ni31  1  0.943818  0.350236  0.359355  1
  Ni  Ni32  1  0.269874  0.322245  0.369664  1
  Ni  Ni33  1  0.613129  0.390572  0.343959  1
  Ni  Ni34  1  0.842732  0.049157  0.337099  1
  Ni  Ni35  1  0.168460  0.011113  0.351650  1
  Ni  Ni36  1  0.496651  0.986077  0.361017  1
  Ni  Ni37  1  0.696979  0.583191  0.386645  1
  Ni  Ni38  1  0.019194  0.528917  0.403835  1
  Ni  Ni39  1  0.345957  0.499318  0.413864  1
  Ni  Ni40  1  0.725021  0.112569  0.415888  1
  Ni  Ni41  1  0.078777  0.197972  0.388183  1
  Ni  Ni42  1  0.405148  0.169401  0.398153  1
  Ni  Ni43  1  0.853362  0.537267  0.397491  1
  Ni  Ni44  1  0.180052  0.505766  0.407518  1
  Ni  Ni45  1  0.501807  0.459016  0.423555  1
  Ni  Ni46  1  0.970100  0.869059  0.393064  1
  Ni  Ni47  1  0.295646  0.837171  0.402295  1
  Ni  Ni48  1  0.616450  0.783546  0.419884  1
  Ni  Ni49  1  0.909613  0.198493  0.408841  1
  Ni  Ni50  1  0.235208  0.167410  0.418923  1
  Ni  Ni51  1  0.587134  0.253357  0.391437  1
  Ni  Ni52  1  0.812436  0.908202  0.384193  1
  Ni  Ni53  1  0.135526  0.858781  0.399387  1
  Ni  Ni54  1  0.461439  0.829647  0.409651  1
  Ni  Ni55  1  0.664073  0.435176  0.434593  1
  Ni  Ni56  1  0.984674  0.375356  0.452525  1
  Ni  Ni57  1  0.311233  0.345676  0.462492  1
  Ni  Ni58  1  0.690504  0.955935  0.464716  1
  Ni  Ni59  1  0.045525  0.046250  0.436275  1
  Ni  Ni60  1  0.370396  0.015088  0.446031  1
  Ni  Ni61  1  0.818430  0.383327  0.445325  1
  Ni  Ni62  1  0.145219  0.352690  0.456079  1
  Ni  Ni63  1  0.466338  0.300205  0.472323  1
  Ni  Ni64  1  0.934325  0.713127  0.440959  1
  Ni  Ni65  1  0.260670  0.683430  0.450608  1
  Ni  Ni66  1  0.580788  0.625579  0.469060  1
  Ni  Ni67  1  0.875002  0.043842  0.457424  1
  Ni  Ni68  1  0.200199  0.012506  0.467491  1
  Ni  Ni69  1  0.553821  0.102602  0.438838  1
  Ni  Ni70  1  0.778629  0.758454  0.431572  1
  Ni  Ni71  1  0.100251  0.705387  0.447329  1
  Ni  Ni72  1  0.426377  0.674662  0.458160  1
  Ni  Ni73  1  0.629953  0.281343  0.482591  1
  Ni  Ni74  1  0.950086  0.221317  0.501005  1
  Ni  Ni75  1  0.276613  0.191975  0.510890  1
  Ni  Ni76  1  0.656388  0.801299  0.513160  1
  Ni  Ni77  1  0.010678  0.892296  0.484280  1
  Ni  Ni78  1  0.335808  0.861286  0.494245  1
  Ni  Ni79  1  0.784143  0.230251  0.493507  1
  Ni  Ni80  1  0.110494  0.198838  0.504433  1
  Ni  Ni81  1  0.431671  0.145091  0.520613  1
  Ni  Ni82  1  0.899584  0.559154  0.489173  1
  Ni  Ni83  1  0.226111  0.529812  0.499058  1
  Ni  Ni84  1  0.546244  0.469786  0.517472  1
  Ni  Ni85  1  0.840390  0.889843  0.505818  1
  Ni  Ni86  1  0.165520  0.858833  0.515783  1
  Ni  Ni87  1  0.519810  0.949830  0.486903  1
  Ni  Ni88  1  0.744526  0.606038  0.479450  1
  Ni  Ni89  1  0.065703  0.552291  0.495630  1
  Ni  Ni90  1  0.392054  0.520877  0.506556  1
  Ni  Ni91  1  0.595410  0.125550  0.531003  1
  Ni  Ni92  1  0.915528  0.067699  0.549455  1
  Ni  Ni93  1  0.241872  0.038002  0.559104  1
  Ni  Ni94  1  0.622376  0.648527  0.561225  1
  Ni  Ni95  1  0.975999  0.738623  0.532572  1
  Ni  Ni96  1  0.301196  0.707287  0.542639  1
  Ni  Ni97  1  0.749820  0.076467  0.541903  1
  Ni  Ni98  1  0.075946  0.045742  0.552734  1
  Ni  Ni99  1  0.397569  0.992675  0.568491  1
  Ni  Ni100  1  0.864964  0.405453  0.537571  1
  Ni  Ni101  1  0.191523  0.375773  0.547538  1
  Ni  Ni102  1  0.512125  0.315953  0.565469  1
  Ni  Ni103  1  0.805802  0.736041  0.554032  1
  Ni  Ni104  1  0.130672  0.704879  0.563788  1
  Ni  Ni105  1  0.485693  0.795193  0.535347  1
  Ni  Ni106  1  0.709859  0.450924  0.527740  1
  Ni  Ni107  1  0.030978  0.398439  0.543984  1
  Ni  Ni108  1  0.357768  0.367802  0.554738  1
  Ni  Ni109  1  0.559748  0.967583  0.580178  1
  Ni  Ni110  1  0.880551  0.913958  0.597768  1
  Ni  Ni111  1  0.206098  0.882070  0.606999  1
  Ni  Ni112  1  0.589063  0.497772  0.608626  1
  Ni  Ni113  1  0.940990  0.583719  0.581140  1
  Ni  Ni114  1  0.266584  0.552636  0.591222  1
  Ni  Ni115  1  0.714758  0.921482  0.590412  1
  Ni  Ni116  1  0.040671  0.892348  0.600676  1
  Ni  Ni117  1  0.363762  0.842927  0.615870  1
  Ni  Ni118  1  0.830241  0.251810  0.586199  1
  Ni  Ni119  1  0.157003  0.222212  0.596228  1
  Ni  Ni120  1  0.479218  0.167938  0.613418  1
  Ni  Ni121  1  0.771049  0.581728  0.601910  1
  Ni  Ni122  1  0.097420  0.553156  0.611880  1
  Ni  Ni123  1  0.451176  0.638560  0.584175  1
  Ni  Ni124  1  0.674391  0.292112  0.576508  1
  Ni  Ni125  1  0.996146  0.245363  0.592545  1
  Ni  Ni126  1  0.322835  0.213862  0.602572  1
  Ni  Ni127  1  0.521031  0.802845  0.630526  1
  Ni  Ni128  1  0.845587  0.756687  0.645561  1
  Ni  Ni129  1  0.174519  0.727522  0.655831  1
  Ni  Ni130  1  0.563069  0.360557  0.656104  1
  Ni  Ni131  1  0.906324  0.428884  0.630399  1
  Ni  Ni132  1  0.232380  0.400893  0.640708  1
  Ni  Ni133  1  0.679546  0.765051  0.639046  1
  Ni  Ni134  1  0.007737  0.740016  0.648413  1
  Ni  Ni135  1  0.333465  0.701972  0.662964  1
  Ni  Ni136  1  0.794841  0.095033  0.634554  1
  Ni  Ni137  1  0.119675  0.066204  0.644462  1
  Ni  Ni138  1  0.441168  0.035987  0.660335  1
  Ni  Ni139  1  0.737709  0.426732  0.649072  1
  Ni  Ni140  1  0.061030  0.399132  0.658438  1
  Ni  Ni141  1  0.414164  0.474785  0.633385  1
  Ni  Ni142  1  0.637638  0.128034  0.626378  1
  Ni  Ni143  1  0.960002  0.090208  0.641213  1
  Ni  Ni144  1  0.281850  0.053782  0.649323  1
  Ni  Ni145  1  0.480685  0.617933  0.680549  1
  Ni  Ni146  1  0.811724  0.596499  0.692218  1
  Ni  Ni147  1  0.142118  0.577504  0.701267  1
  Ni  Ni148  1  0.509532  0.240802  0.701076  1
  Ni  Ni149  1  0.866552  0.268141  0.678524  1
  Ni  Ni150  1  0.189079  0.245937  0.687806  1
  Ni  Ni151  1  0.645958  0.612828  0.687916  1
  Ni  Ni152  1  0.975430  0.581090  0.693950  1
  Ni  Ni153  1  0.301454  0.567827  0.708952  1
  Ni  Ni154  1  0.757469  0.938790  0.682354  1
  Ni  Ni155  1  0.090215  0.908903  0.692280  1
  Ni  Ni156  1  0.420214  0.885455  0.705622  1
  Ni  Ni157  1  0.690732  0.266017  0.693857  1
  Ni  Ni158  1  0.024259  0.242265  0.702906  1
  Ni  Ni159  1  0.359279  0.306827  0.681484  1
  Ni  Ni160  1  0.592070  0.962393  0.675622  1
  Ni  Ni161  1  0.925746  0.926450  0.687305  1
  Ni  Ni162  1  0.261879  0.925081  0.697136  1
  H  H163  1  0.781040  0.640093  0.298198  1
  H  H164  1  0.130279  0.636790  0.324413  1
  H  H165  1  0.501267  0.730358  0.292290  1
  H  H166  1  0.933868  0.249409  0.320226  1
  H  H167  1  0.382995  0.388883  0.291982  1
  H  H168  1  0.569809  0.362833  0.296367  1
  H  H169  1  0.791526  0.532831  0.358553  1
  H  H170  1  0.098423  0.474361  0.374779  1
  H  H171  1  0.459482  0.603685  0.336311  1
  H  H172  1  0.928623  0.089020  0.373121  1
  H  H173  1  0.288989  0.210738  0.333969  1
  H  H174  1  0.597277  0.070603  0.338590  1
  H  H175  1  0.735396  0.367077  0.404644  1
  H  H176  1  0.060548  0.315717  0.422589  1
  H  H177  1  0.427689  0.444845  0.386293  1
  H  H178  1  0.895311  0.934841  0.421666  1
  H  H179  1  0.255231  0.055522  0.384338  1
  H  H180  1  0.580642  0.996349  0.400286  1
  H  H181  1  0.700852  0.213114  0.452964  1
  H  H182  1  0.025961  0.161418  0.470898  1
  H  H183  1  0.385876  0.281512  0.433874  1
  H  H184  1  0.861296  0.780662  0.469871  1
  H  H185  1  0.220628  0.899499  0.432689  1
  H  H186  1  0.544309  0.844012  0.449781  1
  H  H187  1  0.666647  0.059922  0.501487  1
  H  H188  1  0.991201  1.006868  0.519160  1
  H  H189  1  0.349715  0.125062  0.481983  1
  H  H190  1  0.826482  0.626067  0.518080  1
  H  H191  1  0.184997  0.744260  0.480903  1
  H  H192  1  0.509550  0.691207  0.498576  1
  H  H193  1  0.631889  0.907117  0.550282  1
  H  H194  1  0.955570  0.851629  0.567374  1
  H  H195  1  0.314902  0.970467  0.530192  1
  H  H196  1  0.790322  0.469617  0.566189  1
  H  H197  1  0.150237  0.589711  0.529165  1
  H  H198  1  0.475346  0.538015  0.547099  1
  H  H199  1  0.595556  0.754779  0.599777  1
  H  H200  1  0.920966  0.695607  0.615725  1
  H  H201  1  0.280886  0.816288  0.578397  1
  H  H202  1  0.748509  0.306284  0.613770  1
  H  H203  1  0.115650  0.435412  0.577473  1
  H  H204  1  0.440801  0.384052  0.595419  1
  H  H205  1  0.578921  0.680526  0.661473  1
  H  H206  1  0.887209  0.540391  0.666094  1
  H  H207  1  0.247574  0.662109  0.626942  1
  H  H208  1  0.716715  0.147443  0.663752  1
  H  H209  1  0.077775  0.276768  0.625284  1
  H  H210  1  0.384672  0.218298  0.641510  1
  H  H211  1  0.606388  0.388296  0.703696  1
  H  H212  1  0.793203  0.362245  0.708081  1
  H  H213  1  0.242329  0.501720  0.679836  1
  H  H214  1  0.674930  0.020771  0.707773  1
  H  H215  1  0.045919  0.114339  0.675650  1
  H  H216  1  0.395158  0.111035  0.701865  1
