# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71665039
_cell_length_b   13.06221618
_cell_length_c   50.01516252
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.11074180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni162 H81'
_cell_volume   4385.06998373
_cell_formula_units_Z   81
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  0.631703  0.368337  0.294821  1
  Ni  Ni2  1  0.612542  0.045741  0.281328  1
  Ni  Ni3  1  0.655984  0.690223  0.309932  1
  Ni  Ni4  1  0.965036  0.035003  0.294821  1
  Ni  Ni5  1  0.945876  0.712408  0.281328  1
  Ni  Ni6  1  0.298370  0.701670  0.294821  1
  Ni  Ni7  1  0.989317  0.356890  0.309932  1
  Ni  Ni8  1  0.279209  0.379074  0.281328  1
  Ni  Ni9  1  0.322651  0.023556  0.309932  1
  Ni  Ni10  1  0.545396  0.188020  0.312507  1
  Ni  Ni11  1  0.528586  0.865971  0.296718  1
  Ni  Ni12  1  0.508611  0.543774  0.283141  1
  Ni  Ni13  1  0.878729  0.854687  0.312507  1
  Ni  Ni14  1  0.861920  0.532638  0.296718  1
  Ni  Ni15  1  0.212063  0.521354  0.312507  1
  Ni  Ni16  1  0.841944  0.210441  0.283141  1
  Ni  Ni17  1  0.195253  0.199305  0.296718  1
  Ni  Ni18  1  0.175277  0.877108  0.283141  1
  Ni  Ni19  1  0.704424  0.332619  0.343097  1
  Ni  Ni20  1  0.681866  0.011218  0.327316  1
  Ni  Ni21  1  0.726741  0.653885  0.359456  1
  Ni  Ni22  1  0.037757  0.999285  0.343097  1
  Ni  Ni23  1  0.015199  0.677884  0.327316  1
  Ni  Ni24  1  0.371090  0.665952  0.343097  1
  Ni  Ni25  1  0.060075  0.320552  0.359456  1
  Ni  Ni26  1  0.348532  0.344551  0.327316  1
  Ni  Ni27  1  0.393408  0.987218  0.359456  1
  Ni  Ni28  1  0.618210  0.148898  0.362277  1
  Ni  Ni29  1  0.594482  0.827609  0.345751  1
  Ni  Ni30  1  0.571534  0.506162  0.329855  1
  Ni  Ni31  1  0.951543  0.815565  0.362277  1
  Ni  Ni32  1  0.927816  0.494276  0.345751  1
  Ni  Ni33  1  0.284876  0.482232  0.362277  1
  Ni  Ni34  1  0.904867  0.172829  0.329855  1
  Ni  Ni35  1  0.261149  0.160943  0.345751  1
  Ni  Ni36  1  0.238201  0.839495  0.329855  1
  Ni  Ni37  1  0.773797  0.296149  0.393232  1
  Ni  Ni38  1  0.750341  0.974926  0.376654  1
  Ni  Ni39  1  0.796965  0.617355  0.409834  1
  Ni  Ni40  1  0.107130  0.962816  0.393232  1
  Ni  Ni41  1  0.083674  0.641593  0.376654  1
  Ni  Ni42  1  0.440464  0.629482  0.393232  1
  Ni  Ni43  1  0.130299  0.284022  0.409834  1
  Ni  Ni44  1  0.417007  0.308260  0.376654  1
  Ni  Ni45  1  0.463632  0.950688  0.409834  1
  Ni  Ni46  1  0.689618  0.112330  0.412572  1
  Ni  Ni47  1  0.666337  0.790999  0.395811  1
  Ni  Ni48  1  0.642809  0.469721  0.379322  1
  Ni  Ni49  1  0.022951  0.778997  0.412572  1
  Ni  Ni50  1  0.999670  0.457666  0.395811  1
  Ni  Ni51  1  0.356285  0.445664  0.412572  1
  Ni  Ni52  1  0.976143  0.136387  0.379322  1
  Ni  Ni53  1  0.333003  0.124333  0.395811  1
  Ni  Ni54  1  0.309476  0.803054  0.379322  1
  Ni  Ni55  1  0.844042  0.259773  0.443377  1
  Ni  Ni56  1  0.820532  0.938518  0.426681  1
  Ni  Ni57  1  0.867449  0.580999  0.460015  1
  Ni  Ni58  1  0.177376  0.926440  0.443377  1
  Ni  Ni59  1  0.153865  0.605184  0.426681  1
  Ni  Ni60  1  0.510709  0.593106  0.443377  1
  Ni  Ni61  1  0.200782  0.247665  0.460015  1
  Ni  Ni62  1  0.487199  0.271851  0.426681  1
  Ni  Ni63  1  0.534116  0.914332  0.460015  1
  Ni  Ni64  1  0.760190  0.075946  0.462729  1
  Ni  Ni65  1  0.736729  0.754718  0.446000  1
  Ni  Ni66  1  0.713369  0.433481  0.429373  1
  Ni  Ni67  1  0.093523  0.742612  0.462729  1
  Ni  Ni68  1  0.070063  0.421385  0.446000  1
  Ni  Ni69  1  0.426856  0.409279  0.462729  1
  Ni  Ni70  1  0.046703  0.100148  0.429373  1
  Ni  Ni71  1  0.403396  0.088051  0.446000  1
  Ni  Ni72  1  0.380036  0.766815  0.429373  1
  Ni  Ni73  1  0.914450  0.223433  0.493495  1
  Ni  Ni74  1  0.890954  0.902201  0.476779  1
  Ni  Ni75  1  0.937872  0.544656  0.510151  1
  Ni  Ni76  1  0.247783  0.890100  0.493495  1
  Ni  Ni77  1  0.224287  0.568868  0.476779  1
  Ni  Ni78  1  0.581117  0.556766  0.493495  1
  Ni  Ni79  1  0.271205  0.211323  0.510151  1
  Ni  Ni80  1  0.557621  0.235534  0.476779  1
  Ni  Ni81  1  0.604538  0.877989  0.510151  1
  Ni  Ni82  1  0.830646  0.039609  0.512853  1
  Ni  Ni83  1  0.807150  0.718377  0.496137  1
  Ni  Ni84  1  0.783729  0.397154  0.479481  1
  Ni  Ni85  1  0.163980  0.706276  0.512853  1
  Ni  Ni86  1  0.140484  0.385044  0.496137  1
  Ni  Ni87  1  0.497313  0.372943  0.512853  1
  Ni  Ni88  1  0.117062  0.063821  0.479481  1
  Ni  Ni89  1  0.473817  0.051711  0.496137  1
  Ni  Ni90  1  0.450395  0.730488  0.479481  1
  Ni  Ni91  1  0.984871  0.187093  0.543632  1
  Ni  Ni92  1  0.961410  0.865865  0.526903  1
  Ni  Ni93  1  0.008231  0.508329  0.560259  1
  Ni  Ni94  1  0.318204  0.853759  0.543632  1
  Ni  Ni95  1  0.294744  0.532531  0.526903  1
  Ni  Ni96  1  0.651538  0.520426  0.543632  1
  Ni  Ni97  1  0.341564  0.174996  0.560259  1
  Ni  Ni98  1  0.628077  0.199198  0.526903  1
  Ni  Ni99  1  0.674897  0.841662  0.560259  1
  Ni  Ni100  1  0.901068  1.003293  0.562951  1
  Ni  Ni101  1  0.877558  0.682038  0.546255  1
  Ni  Ni102  1  0.854151  0.360812  0.529617  1
  Ni  Ni103  1  0.234401  0.669959  0.562951  1
  Ni  Ni104  1  0.210891  0.348704  0.546255  1
  Ni  Ni105  1  0.567735  0.336626  0.562951  1
  Ni  Ni106  1  0.187484  0.027478  0.529617  1
  Ni  Ni107  1  0.544225  0.015371  0.546255  1
  Ni  Ni108  1  0.520818  0.694145  0.529617  1
  Ni  Ni109  1  0.055263  0.150811  0.593821  1
  Ni  Ni110  1  0.031982  0.829480  0.577060  1
  Ni  Ni111  1  0.078791  0.472090  0.610310  1
  Ni  Ni112  1  0.388597  0.817478  0.593821  1
  Ni  Ni113  1  0.365316  0.496147  0.577060  1
  Ni  Ni114  1  0.721930  0.484144  0.593821  1
  Ni  Ni115  1  0.412124  0.138756  0.610310  1
  Ni  Ni116  1  0.698649  0.162813  0.577060  1
  Ni  Ni117  1  0.745458  0.805423  0.610310  1
  Ni  Ni118  1  0.971260  0.966884  0.612978  1
  Ni  Ni119  1  0.947803  0.645661  0.596400  1
  Ni  Ni120  1  0.924635  0.324455  0.579798  1
  Ni  Ni121  1  0.304593  0.633551  0.612978  1
  Ni  Ni122  1  0.281137  0.312328  0.596400  1
  Ni  Ni123  1  0.637926  0.300217  0.612978  1
  Ni  Ni124  1  0.257968  0.991122  0.579798  1
  Ni  Ni125  1  0.614470  0.978995  0.596400  1
  Ni  Ni126  1  0.591301  0.657789  0.579798  1
  Ni  Ni127  1  0.127118  0.114201  0.643881  1
  Ni  Ni128  1  0.103391  0.792912  0.627355  1
  Ni  Ni129  1  0.150066  0.435648  0.659777  1
  Ni  Ni130  1  0.460451  0.780868  0.643881  1
  Ni  Ni131  1  0.436724  0.459579  0.627355  1
  Ni  Ni132  1  0.793784  0.447534  0.643881  1
  Ni  Ni133  1  0.483400  0.102315  0.659777  1
  Ni  Ni134  1  0.770057  0.126245  0.627355  1
  Ni  Ni135  1  0.816733  0.768982  0.659777  1
  Ni  Ni136  1  0.039735  0.930593  0.662316  1
  Ni  Ni137  1  0.017177  0.609192  0.646535  1
  Ni  Ni138  1  0.994859  0.287925  0.630176  1
  Ni  Ni139  1  0.373068  0.597259  0.662316  1
  Ni  Ni140  1  0.350510  0.275858  0.646535  1
  Ni  Ni141  1  0.706401  0.263926  0.662316  1
  Ni  Ni142  1  0.328192  0.954592  0.630176  1
  Ni  Ni143  1  0.683843  0.942525  0.646535  1
  Ni  Ni144  1  0.661526  0.621259  0.630176  1
  Ni  Ni145  1  0.193014  0.075839  0.692914  1
  Ni  Ni146  1  0.176204  0.753790  0.677125  1
  Ni  Ni147  1  0.212990  0.398036  0.706491  1
  Ni  Ni148  1  0.526347  0.742506  0.692914  1
  Ni  Ni149  1  0.509537  0.420457  0.677125  1
  Ni  Ni150  1  0.859681  0.409172  0.692914  1
  Ni  Ni151  1  0.546323  0.064703  0.706491  1
  Ni  Ni152  1  0.842871  0.087123  0.677125  1
  Ni  Ni153  1  0.879656  0.731369  0.706491  1
  Ni  Ni154  1  0.109058  0.896069  0.708304  1
  Ni  Ni155  1  0.089897  0.573474  0.694811  1
  Ni  Ni156  1  0.065616  0.251587  0.679700  1
  Ni  Ni157  1  0.442391  0.562736  0.708304  1
  Ni  Ni158  1  0.423231  0.240140  0.694811  1
  Ni  Ni159  1  0.775725  0.229403  0.708304  1
  Ni  Ni160  1  0.398950  0.918254  0.679700  1
  Ni  Ni161  1  0.756564  0.906807  0.694811  1
  Ni  Ni162  1  0.732283  0.584921  0.679700  1
  H  H163  1  0.414245  0.284815  0.291069  1
  H  H164  1  0.399132  0.956562  0.277633  1
  H  H165  1  0.432866  0.607285  0.308935  1
  H  H166  1  0.747578  0.951482  0.291069  1
  H  H167  1  0.732465  0.623229  0.277633  1
  H  H168  1  0.080912  0.618149  0.291069  1
  H  H169  1  0.766200  0.273952  0.308935  1
  H  H170  1  0.065799  0.289895  0.277633  1
  H  H171  1  0.099533  0.940618  0.308935  1
  H  H172  1  0.483703  0.246434  0.344375  1
  H  H173  1  0.460605  0.924787  0.326803  1
  H  H174  1  0.506386  0.568539  0.361328  1
  H  H175  1  0.817036  0.913101  0.344375  1
  H  H176  1  0.793939  0.591454  0.326803  1
  H  H177  1  0.150369  0.579768  0.344375  1
  H  H178  1  0.839719  0.235206  0.361328  1
  H  H179  1  0.127272  0.258120  0.326803  1
  H  H180  1  0.173053  0.901872  0.361328  1
  H  H181  1  0.553309  0.210145  0.394574  1
  H  H182  1  0.529469  0.889409  0.377768  1
  H  H183  1  0.576757  0.531522  0.411344  1
  H  H184  1  0.886642  0.876811  0.394574  1
  H  H185  1  0.862802  0.556076  0.377768  1
  H  H186  1  0.219975  0.543478  0.394574  1
  H  H187  1  0.910091  0.198189  0.411344  1
  H  H188  1  0.196136  0.222742  0.377768  1
  H  H189  1  0.243424  0.864856  0.411344  1
  H  H190  1  0.623712  0.173868  0.444690  1
  H  H191  1  0.600195  0.852674  0.427914  1
  H  H192  1  0.647228  0.495135  0.461429  1
  H  H193  1  0.957046  0.840534  0.444690  1
  H  H194  1  0.933528  0.519341  0.427914  1
  H  H195  1  0.290379  0.507201  0.444690  1
  H  H196  1  0.980561  0.161802  0.461429  1
  H  H197  1  0.266861  0.186007  0.427914  1
  H  H198  1  0.313895  0.828469  0.461429  1
  H  H199  1  0.694133  0.137572  0.494816  1
  H  H200  1  0.670628  0.816349  0.478074  1
  H  H201  1  0.717639  0.458795  0.511558  1
  H  H202  1  0.027467  0.804239  0.494816  1
  H  H203  1  1.003961  0.483016  0.478074  1
  H  H204  1  0.360800  0.470905  0.494816  1
  H  H205  1  0.050972  0.125461  0.511558  1
  H  H206  1  0.337294  0.149682  0.478074  1
  H  H207  1  0.384306  0.792128  0.511558  1
  H  H208  1  0.764555  0.101276  0.544942  1
  H  H209  1  0.741039  0.780009  0.528203  1
  H  H210  1  0.788072  0.422470  0.561718  1
  H  H211  1  0.097888  0.767943  0.544942  1
  H  H212  1  0.074372  0.446675  0.528203  1
  H  H213  1  0.431221  0.434609  0.544942  1
  H  H214  1  0.121405  0.089136  0.561718  1
  H  H215  1  0.407705  0.113342  0.528203  1
  H  H216  1  0.454739  0.755803  0.561718  1
  H  H217  1  0.834958  0.064999  0.595058  1
  H  H218  1  0.811509  0.743621  0.578288  1
  H  H219  1  0.858798  0.385735  0.611864  1
  H  H220  1  0.168292  0.731666  0.595058  1
  H  H221  1  0.144843  0.410288  0.578288  1
  H  H222  1  0.501625  0.398332  0.595058  1
  H  H223  1  0.192131  0.052401  0.611864  1
  H  H224  1  0.478176  0.076955  0.578288  1
  H  H225  1  0.525465  0.719068  0.611864  1
  H  H226  1  0.904564  0.028709  0.645257  1
  H  H227  1  0.881881  0.706605  0.628304  1
  H  H228  1  0.927661  0.350357  0.662829  1
  H  H229  1  0.237897  0.695376  0.645257  1
  H  H230  1  0.215214  0.373271  0.628304  1
  H  H231  1  0.571231  0.362043  0.645257  1
  H  H232  1  0.260995  0.017023  0.662829  1
  H  H233  1  0.548547  0.039938  0.628304  1
  H  H234  1  0.594328  0.683690  0.662829  1
  H  H235  1  0.974022  0.990328  0.698563  1
  H  H236  1  0.955400  0.667859  0.680697  1
  H  H237  1  0.989135  0.318582  0.711999  1
  H  H238  1  0.307355  0.656995  0.698563  1
  H  H239  1  0.288734  0.334525  0.680697  1
  H  H240  1  0.640689  0.323662  0.698563  1
  H  H241  1  0.322468  0.985248  0.711999  1
  H  H242  1  0.622067  1.001192  0.680697  1
  H  H243  1  0.655802  0.651915  0.711999  1
