# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02223970
_cell_length_b   15.21647661
_cell_length_c   47.11797462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.04926096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni162 H54'
_cell_volume   4252.80907947
_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  0.997057  0.047141  0.277832  1
  Ni  Ni2  1  0.355461  0.670935  0.306841  1
  Ni  Ni3  1  0.677792  0.355274  0.294068  1
  Ni  Ni4  1  0.429959  0.019129  0.273652  1
  Ni  Ni5  1  0.782633  0.636431  0.303215  1
  Ni  Ni6  1  0.116708  0.259510  0.332401  1
  Ni  Ni7  1  0.211030  0.890263  0.283758  1
  Ni  Ni8  1  0.558793  0.512344  0.312479  1
  Ni  Ni9  1  0.870436  0.198941  0.298225  1
  Ni  Ni10  1  1.000894  0.767165  0.293772  1
  Ni  Ni11  1  0.337084  0.385991  0.322430  1
  Ni  Ni12  1  0.663523  0.075829  0.308563  1
  Ni  Ni13  1  0.571640  0.797335  0.297085  1
  Ni  Ni14  1  0.919599  0.419341  0.326590  1
  Ni  Ni15  1  0.212130  0.173572  0.270934  1
  Ni  Ni16  1  0.790311  0.920855  0.288105  1
  Ni  Ni17  1  0.142795  0.543691  0.318213  1
  Ni  Ni18  1  0.460119  0.230349  0.302966  1
  Ni  Ni19  1  0.020563  0.977758  0.324850  1
  Ni  Ni20  1  0.371979  0.601424  0.355812  1
  Ni  Ni21  1  0.695377  0.290590  0.340409  1
  Ni  Ni22  1  0.453219  0.945111  0.320310  1
  Ni  Ni23  1  0.800845  0.567041  0.351246  1
  Ni  Ni24  1  0.142586  0.192049  0.384231  1
  Ni  Ni25  1  0.232415  0.819992  0.330871  1
  Ni  Ni26  1  0.574035  0.443156  0.360588  1
  Ni  Ni27  1  0.898039  0.131761  0.346762  1
  Ni  Ni28  1  0.018771  0.694910  0.340874  1
  Ni  Ni29  1  0.358786  0.319009  0.372659  1
  Ni  Ni30  1  0.689342  0.006093  0.358106  1
  Ni  Ni31  1  0.591168  0.726984  0.345144  1
  Ni  Ni32  1  0.931978  0.352123  0.377201  1
  Ni  Ni33  1  0.237754  0.102410  0.315233  1
  Ni  Ni34  1  0.811800  0.851051  0.335626  1
  Ni  Ni35  1  0.158138  0.475850  0.367193  1
  Ni  Ni36  1  0.478839  0.165706  0.351690  1
  Ni  Ni37  1  0.039296  0.909743  0.374045  1
  Ni  Ni38  1  0.387118  0.532942  0.405899  1
  Ni  Ni39  1  0.711669  0.223023  0.389568  1
  Ni  Ni40  1  0.474449  0.877029  0.369360  1
  Ni  Ni41  1  0.817386  0.500295  0.401136  1
  Ni  Ni42  1  0.161825  0.123619  0.434704  1
  Ni  Ni43  1  0.249182  0.752050  0.379527  1
  Ni  Ni44  1  0.591584  0.376104  0.411301  1
  Ni  Ni45  1  0.918671  0.064545  0.396517  1
  Ni  Ni46  1  0.036640  0.627137  0.390536  1
  Ni  Ni47  1  0.379088  0.251313  0.423468  1
  Ni  Ni48  1  0.708073  0.938626  0.408149  1
  Ni  Ni49  1  0.605501  0.659833  0.395331  1
  Ni  Ni50  1  0.948105  0.283758  0.428039  1
  Ni  Ni51  1  0.256670  0.037653  0.363664  1
  Ni  Ni52  1  0.830248  0.784212  0.385165  1
  Ni  Ni53  1  0.173913  0.408433  0.417655  1
  Ni  Ni54  1  0.499604  0.097159  0.401482  1
  Ni  Ni55  1  0.058490  0.842632  0.423788  1
  Ni  Ni56  1  0.403817  0.465955  0.456344  1
  Ni  Ni57  1  0.729936  0.155377  0.439589  1
  Ni  Ni58  1  0.491009  0.810150  0.419101  1
  Ni  Ni59  1  0.834354  0.433514  0.451520  1
  Ni  Ni60  1  0.179822  0.056071  0.484890  1
  Ni  Ni61  1  0.265536  0.685153  0.429416  1
  Ni  Ni62  1  0.609373  0.308909  0.461932  1
  Ni  Ni63  1  0.937544  0.997129  0.446334  1
  Ni  Ni64  1  0.052990  0.560436  0.440807  1
  Ni  Ni65  1  0.397280  0.183730  0.473763  1
  Ni  Ni66  1  0.725928  0.871391  0.458061  1
  Ni  Ni67  1  0.622041  0.592896  0.445635  1
  Ni  Ni68  1  0.965849  0.216057  0.478403  1
  Ni  Ni69  1  0.275694  0.970223  0.412977  1
  Ni  Ni70  1  0.847200  0.717482  0.435274  1
  Ni  Ni71  1  0.191101  0.341055  0.467973  1
  Ni  Ni72  1  0.518034  0.029583  0.451454  1
  Ni  Ni73  1  0.076251  0.775720  0.473819  1
  Ni  Ni74  1  0.421101  0.398789  0.506652  1
  Ni  Ni75  1  0.747803  0.087984  0.489640  1
  Ni  Ni76  1  0.508083  0.743314  0.469129  1
  Ni  Ni77  1  0.851984  0.366352  0.501803  1
  Ni  Ni78  1  0.197556  0.988951  0.534923  1
  Ni  Ni79  1  0.282701  0.618342  0.479557  1
  Ni  Ni80  1  0.626989  0.241652  0.512238  1
  Ni  Ni81  1  0.955353  0.929913  0.496281  1
  Ni  Ni82  1  0.070234  0.493443  0.491086  1
  Ni  Ni83  1  0.415084  0.116512  0.523919  1
  Ni  Ni84  1  0.743532  0.804247  0.508098  1
  Ni  Ni85  1  0.639351  0.525880  0.495935  1
  Ni  Ni86  1  0.983252  0.148918  0.528609  1
  Ni  Ni87  1  0.293779  0.903281  0.462815  1
  Ni  Ni88  1  0.864346  0.650580  0.485500  1
  Ni  Ni89  1  0.208634  0.273889  0.518181  1
  Ni  Ni90  1  0.535982  0.962318  0.501457  1
  Ni  Ni91  1  0.094055  0.708502  0.523975  1
  Ni  Ni92  1  0.438345  0.331795  0.556931  1
  Ni  Ni93  1  0.765407  0.020841  0.539677  1
  Ni  Ni94  1  0.525486  0.676174  0.519335  1
  Ni  Ni95  1  0.869294  0.299336  0.552103  1
  Ni  Ni96  1  0.215641  0.922008  0.584761  1
  Ni  Ni97  1  0.300235  0.551177  0.529765  1
  Ni  Ni98  1  0.644135  0.174750  0.562464  1
  Ni  Ni99  1  0.973301  0.862648  0.546284  1
  Ni  Ni100  1  0.087518  0.426277  0.541394  1
  Ni  Ni101  1  0.432845  0.049600  0.573950  1
  Ni  Ni102  1  0.761399  0.736855  0.558149  1
  Ni  Ni103  1  0.656981  0.458718  0.546218  1
  Ni  Ni104  1  1.000326  0.082082  0.578637  1
  Ni  Ni105  1  0.311513  0.836161  0.512848  1
  Ni  Ni106  1  0.881962  0.583322  0.535806  1
  Ni  Ni107  1  0.225799  0.207078  0.568322  1
  Ni  Ni108  1  0.553791  0.895103  0.551404  1
  Ni  Ni109  1  0.112247  0.640918  0.574270  1
  Ni  Ni110  1  0.454695  0.265095  0.607202  1
  Ni  Ni111  1  0.783262  0.953606  0.589589  1
  Ni  Ni112  1  0.543231  0.608474  0.569699  1
  Ni  Ni113  1  0.885834  0.232399  0.602407  1
  Ni  Ni114  1  0.234665  0.854578  0.634074  1
  Ni  Ni115  1  0.317422  0.483799  0.580083  1
  Ni  Ni116  1  0.661087  0.108020  0.612573  1
  Ni  Ni117  1  0.991731  0.795072  0.596256  1
  Ni  Ni118  1  0.104217  0.359289  0.591839  1
  Ni  Ni119  1  0.452039  0.982488  0.623693  1
  Ni  Ni120  1  0.779666  0.669208  0.608170  1
  Ni  Ni121  1  0.673949  0.391937  0.596602  1
  Ni  Ni122  1  0.016886  0.015202  0.628378  1
  Ni  Ni123  1  0.329510  0.768613  0.563034  1
  Ni  Ni124  1  0.899751  0.516127  0.586437  1
  Ni  Ni125  1  0.242153  0.140181  0.618211  1
  Ni  Ni126  1  0.572664  0.827687  0.601221  1
  Ni  Ni127  1  0.132549  0.573222  0.625079  1
  Ni  Ni128  1  0.472564  0.197321  0.656864  1
  Ni  Ni129  1  0.801993  0.886139  0.639632  1
  Ni  Ni130  1  0.559358  0.540108  0.620537  1
  Ni  Ni131  1  0.900168  0.165247  0.652594  1
  Ni  Ni132  1  0.253581  0.789822  0.682505  1
  Ni  Ni133  1  0.333197  0.416382  0.630545  1
  Ni  Ni134  1  0.679535  0.041180  0.662112  1
  Ni  Ni135  1  0.012496  0.726526  0.646048  1
  Ni  Ni136  1  0.119356  0.290808  0.641926  1
  Ni  Ni137  1  0.470772  0.914474  0.672888  1
  Ni  Ni138  1  0.795958  0.601641  0.657329  1
  Ni  Ni139  1  0.690490  0.325191  0.646492  1
  Ni  Ni140  1  0.038116  0.947121  0.677428  1
  Ni  Ni141  1  0.348749  0.700183  0.613507  1
  Ni  Ni142  1  0.917300  0.449076  0.637149  1
  Ni  Ni143  1  0.258920  0.072239  0.666867  1
  Ni  Ni144  1  0.593296  0.760471  0.650976  1
  Ni  Ni145  1  0.154251  0.506240  0.675308  1
  Ni  Ni146  1  0.490441  0.125067  0.703966  1
  Ni  Ni147  1  0.827813  0.816403  0.689175  1
  Ni  Ni148  1  0.571736  0.472890  0.671148  1
  Ni  Ni149  1  0.919695  0.094897  0.700653  1
  Ni  Ni150  1  0.279205  0.718659  0.726804  1
  Ni  Ni151  1  0.348540  0.348541  0.679525  1
  Ni  Ni152  1  0.701024  0.971376  0.709633  1
  Ni  Ni153  1  0.031216  0.661883  0.694772  1
  Ni  Ni154  1  0.135874  0.221297  0.690897  1
  Ni  Ni155  1  0.494278  0.845090  0.719906  1
  Ni  Ni156  1  0.813543  0.536957  0.703670  1
  Ni  Ni157  1  0.708703  0.255800  0.694523  1
  Ni  Ni158  1  0.061376  0.873102  0.724086  1
  Ni  Ni159  1  0.374627  0.632721  0.665337  1
  Ni  Ni160  1  0.932542  0.379888  0.685259  1
  Ni  Ni161  1  0.280305  0.001968  0.713980  1
  Ni  Ni162  1  0.620899  0.693291  0.699513  1
  H  H163  1  0.226971  0.993435  0.292722  1
  H  H164  1  0.565557  0.595587  0.281698  1
  H  H165  1  0.910885  0.311534  0.306865  1
  H  H166  1  0.797776  0.739965  0.313378  1
  H  H167  1  0.122527  0.449258  0.300476  1
  H  H168  1  0.451046  0.126549  0.281622  1
  H  H169  1  0.245552  0.928341  0.347210  1
  H  H170  1  0.577292  0.615988  0.326365  1
  H  H171  1  0.923179  0.241054  0.361418  1
  H  H172  1  0.812352  0.677194  0.367791  1
  H  H173  1  0.137167  0.368508  0.348535  1
  H  H174  1  0.467581  0.056018  0.336155  1
  H  H175  1  0.264858  0.859421  0.396588  1
  H  H176  1  0.592496  0.549434  0.378444  1
  H  H177  1  0.937025  0.173474  0.411944  1
  H  H178  1  0.829977  0.610301  0.418050  1
  H  H179  1  0.155328  0.302541  0.400430  1
  H  H180  1  0.485237  0.987966  0.385788  1
  H  H181  1  0.282539  0.792277  0.446462  1
  H  H182  1  0.609598  0.482664  0.428779  1
  H  H183  1  0.954366  0.105750  0.462159  1
  H  H184  1  0.846959  0.543529  0.468330  1
  H  H185  1  0.173346  0.234427  0.450908  1
  H  H186  1  0.502031  0.920728  0.435518  1
  H  H187  1  0.300136  0.725277  0.496569  1
  H  H188  1  0.626854  0.415831  0.479124  1
  H  H189  1  0.971764  0.038525  0.512266  1
  H  H190  1  0.864482  0.476400  0.518614  1
  H  H191  1  0.191199  0.166955  0.501169  1
  H  H192  1  0.519571  0.853706  0.485472  1
  H  H193  1  0.317989  0.657804  0.546830  1
  H  H194  1  0.644376  0.348703  0.529408  1
  H  H195  1  0.989304  0.971503  0.562220  1
  H  H196  1  0.881737  0.409568  0.568959  1
  H  H197  1  0.208796  0.099955  0.551276  1
  H  H198  1  0.536970  0.786482  0.535579  1
  H  H199  1  0.336007  0.589690  0.597308  1
  H  H200  1  0.661358  0.281931  0.579688  1
  H  H201  1  1.006098  0.904266  0.611950  1
  H  H202  1  0.898839  0.342797  0.619294  1
  H  H203  1  0.226477  0.032811  0.601150  1
  H  H204  1  0.554310  0.718757  0.585794  1
  H  H205  1  0.354168  0.523724  0.649203  1
  H  H206  1  0.678983  0.215038  0.629947  1
  H  H207  1  0.023754  0.836213  0.661583  1
  H  H208  1  0.914043  0.276244  0.671373  1
  H  H209  1  0.245783  0.963891  0.650528  1
  H  H210  1  0.568156  0.651178  0.636320  1
  H  H211  1  0.368808  0.442974  0.697262  1
  H  H212  1  0.693559  0.152267  0.684360  1
  H  H213  1  0.040289  0.765683  0.716116  1
  H  H214  1  0.925778  0.296644  0.716040  1
  H  H215  1  0.264364  0.898797  0.705016  1
  H  H216  1  0.580450  0.580697  0.690873  1
