# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.06330373
_cell_length_b   9.92049207
_cell_length_c   46.69498516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.72352036
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni168 H84'
_cell_volume   4671.74715897
_cell_formula_units_Z   84
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  0.364140  0.100798  0.290731  1
  Ni  Ni2  1  0.754106  0.117476  0.281342  1
  Ni  Ni3  1  0.971979  0.082612  0.298650  1
  Ni  Ni4  1  0.364140  0.600798  0.290731  1
  Ni  Ni5  1  0.754106  0.617476  0.281342  1
  Ni  Ni6  1  0.971979  0.582612  0.298650  1
  Ni  Ni7  1  0.142587  0.316358  0.306452  1
  Ni  Ni8  1  0.531411  0.333338  0.297418  1
  Ni  Ni9  1  0.919134  0.352010  0.289038  1
  Ni  Ni10  1  0.142587  0.816358  0.306452  1
  Ni  Ni11  1  0.531411  0.833338  0.297418  1
  Ni  Ni12  1  0.919134  0.852010  0.289038  1
  Ni  Ni13  1  0.194413  0.042072  0.316665  1
  Ni  Ni14  1  0.585066  0.058866  0.307502  1
  Ni  Ni15  1  0.808523  0.022795  0.329655  1
  Ni  Ni16  1  0.194413  0.542072  0.316665  1
  Ni  Ni17  1  0.585066  0.558866  0.307502  1
  Ni  Ni18  1  0.808523  0.522795  0.329655  1
  Ni  Ni19  1  0.985559  0.259884  0.337168  1
  Ni  Ni20  1  0.369756  0.282871  0.325558  1
  Ni  Ni21  1  0.756598  0.301127  0.316172  1
  Ni  Ni22  1  0.985559  0.759884  0.337168  1
  Ni  Ni23  1  0.369756  0.782871  0.325558  1
  Ni  Ni24  1  0.756598  0.801127  0.316172  1
  Ni  Ni25  1  0.032596  0.985098  0.348762  1
  Ni  Ni26  1  0.419408  1.004873  0.339252  1
  Ni  Ni27  1  0.643046  0.968736  0.359140  1
  Ni  Ni28  1  0.032596  0.485098  0.348762  1
  Ni  Ni29  1  0.419408  0.504873  0.339252  1
  Ni  Ni30  1  0.643046  0.468736  0.359140  1
  Ni  Ni31  1  0.819803  0.208682  0.367749  1
  Ni  Ni32  1  0.208865  0.224413  0.356733  1
  Ni  Ni33  1  0.595375  0.243282  0.347029  1
  Ni  Ni34  1  0.819803  0.708682  0.367749  1
  Ni  Ni35  1  0.208865  0.724413  0.356733  1
  Ni  Ni36  1  0.595375  0.743282  0.347029  1
  Ni  Ni37  1  0.869857  0.930717  0.380338  1
  Ni  Ni38  1  0.256288  0.949497  0.369018  1
  Ni  Ni39  1  0.481566  0.912797  0.390595  1
  Ni  Ni40  1  0.869857  0.430717  0.380338  1
  Ni  Ni41  1  0.256288  0.449497  0.369018  1
  Ni  Ni42  1  0.481566  0.412797  0.390595  1
  Ni  Ni43  1  0.656772  0.152578  0.399370  1
  Ni  Ni44  1  0.045891  0.169695  0.388576  1
  Ni  Ni45  1  0.431755  0.190240  0.377861  1
  Ni  Ni46  1  0.656772  0.652578  0.399370  1
  Ni  Ni47  1  0.045891  0.669695  0.388576  1
  Ni  Ni48  1  0.431755  0.690240  0.377861  1
  Ni  Ni49  1  0.706095  0.876700  0.411351  1
  Ni  Ni50  1  0.094622  0.893888  0.400667  1
  Ni  Ni51  1  0.318591  0.858173  0.421638  1
  Ni  Ni52  1  0.706095  0.376700  0.411351  1
  Ni  Ni53  1  0.094622  0.393888  0.400667  1
  Ni  Ni54  1  0.318591  0.358173  0.421638  1
  Ni  Ni55  1  0.493865  0.097670  0.430528  1
  Ni  Ni56  1  0.882102  0.115732  0.420027  1
  Ni  Ni57  1  0.269515  0.133957  0.409564  1
  Ni  Ni58  1  0.493865  0.597670  0.430528  1
  Ni  Ni59  1  0.882102  0.615732  0.420027  1
  Ni  Ni60  1  0.269515  0.633957  0.409564  1
  Ni  Ni61  1  0.543362  0.821610  0.442806  1
  Ni  Ni62  1  0.931496  0.839437  0.432252  1
  Ni  Ni63  1  0.155832  0.803094  0.453113  1
  Ni  Ni64  1  0.543362  0.321610  0.442806  1
  Ni  Ni65  1  0.931496  0.339437  0.432252  1
  Ni  Ni66  1  0.155832  0.303094  0.453113  1
  Ni  Ni67  1  0.331181  0.042469  0.461999  1
  Ni  Ni68  1  0.718993  0.060769  0.451570  1
  Ni  Ni69  1  0.106715  0.078703  0.440961  1
  Ni  Ni70  1  0.331181  0.542469  0.461999  1
  Ni  Ni71  1  0.718993  0.560769  0.451570  1
  Ni  Ni72  1  0.106715  0.578703  0.440961  1
  Ni  Ni73  1  0.380449  0.766663  0.474020  1
  Ni  Ni74  1  0.768227  0.784934  0.463593  1
  Ni  Ni75  1  0.992921  0.748224  0.484502  1
  Ni  Ni76  1  0.380449  0.266663  0.474020  1
  Ni  Ni77  1  0.768227  0.284934  0.463593  1
  Ni  Ni78  1  0.992921  0.248224  0.484502  1
  Ni  Ni79  1  0.168334  0.987478  0.493301  1
  Ni  Ni80  1  0.556009  0.005955  0.482883  1
  Ni  Ni81  1  0.943710  0.024107  0.472379  1
  Ni  Ni82  1  0.168334  0.487478  0.493301  1
  Ni  Ni83  1  0.556009  0.505955  0.482883  1
  Ni  Ni84  1  0.943710  0.524107  0.472379  1
  Ni  Ni85  1  0.217627  0.711618  0.505433  1
  Ni  Ni86  1  0.605302  0.730095  0.495015  1
  Ni  Ni87  1  0.829926  0.693467  0.515937  1
  Ni  Ni88  1  0.217627  0.211618  0.505433  1
  Ni  Ni89  1  0.605302  0.230095  0.495015  1
  Ni  Ni90  1  0.829926  0.193467  0.515937  1
  Ni  Ni91  1  0.005409  0.932640  0.524723  1
  Ni  Ni92  1  0.393187  0.950911  0.514296  1
  Ni  Ni93  1  0.780715  0.969350  0.503814  1
  Ni  Ni94  1  0.005409  0.432640  0.524723  1
  Ni  Ni95  1  0.393187  0.450911  0.514296  1
  Ni  Ni96  1  0.780715  0.469350  0.503814  1
  Ni  Ni97  1  0.054643  0.656804  0.536746  1
  Ni  Ni98  1  0.442454  0.675105  0.526317  1
  Ni  Ni99  1  0.666920  0.638871  0.547355  1
  Ni  Ni100  1  0.054643  0.156804  0.536746  1
  Ni  Ni101  1  0.442454  0.175105  0.526317  1
  Ni  Ni102  1  0.666920  0.138871  0.547355  1
  Ni  Ni103  1  0.842140  0.878137  0.556064  1
  Ni  Ni104  1  0.230274  0.895964  0.545510  1
  Ni  Ni105  1  0.617804  0.914479  0.535203  1
  Ni  Ni106  1  0.842140  0.378137  0.556064  1
  Ni  Ni107  1  0.230274  0.395964  0.545510  1
  Ni  Ni108  1  0.617804  0.414479  0.535203  1
  Ni  Ni109  1  0.891534  0.601841  0.568289  1
  Ni  Ni110  1  0.279770  0.619904  0.557787  1
  Ni  Ni111  1  0.504121  0.583617  0.578752  1
  Ni  Ni112  1  0.891534  0.101841  0.568289  1
  Ni  Ni113  1  0.279770  0.119904  0.557787  1
  Ni  Ni114  1  0.504121  0.083617  0.578752  1
  Ni  Ni115  1  0.679014  0.823685  0.587649  1
  Ni  Ni116  1  0.067541  0.840874  0.576965  1
  Ni  Ni117  1  0.455044  0.859400  0.566678  1
  Ni  Ni118  1  0.679014  0.323685  0.587649  1
  Ni  Ni119  1  0.067541  0.340874  0.576965  1
  Ni  Ni120  1  0.455044  0.359400  0.566678  1
  Ni  Ni121  1  0.727745  0.547879  0.599740  1
  Ni  Ni122  1  0.116864  0.564995  0.588946  1
  Ni  Ni123  1  0.341881  0.527334  0.610455  1
  Ni  Ni124  1  0.727745  0.047879  0.599740  1
  Ni  Ni125  1  0.116864  0.064995  0.588946  1
  Ni  Ni126  1  0.341881  0.027334  0.610455  1
  Ni  Ni127  1  0.517348  0.768077  0.619297  1
  Ni  Ni128  1  0.903779  0.786857  0.607978  1
  Ni  Ni129  1  0.292070  0.804777  0.597721  1
  Ni  Ni130  1  0.517348  0.268077  0.619297  1
  Ni  Ni131  1  0.903779  0.286857  0.607978  1
  Ni  Ni132  1  0.292070  0.304777  0.597721  1
  Ni  Ni133  1  0.564771  0.493161  0.631583  1
  Ni  Ni134  1  0.953833  0.508892  0.620567  1
  Ni  Ni135  1  0.178261  0.474292  0.641287  1
  Ni  Ni136  1  0.564771  0.993161  0.631583  1
  Ni  Ni137  1  0.953833  0.008892  0.620567  1
  Ni  Ni138  1  0.178261  0.974292  0.641287  1
  Ni  Ni139  1  0.354228  0.712700  0.649064  1
  Ni  Ni140  1  0.741040  0.732476  0.639554  1
  Ni  Ni141  1  0.130590  0.748837  0.629176  1
  Ni  Ni142  1  0.354228  0.212700  0.649064  1
  Ni  Ni143  1  0.741040  0.232476  0.639554  1
  Ni  Ni144  1  0.130590  0.248837  0.629176  1
  Ni  Ni145  1  0.403880  0.434702  0.662758  1
  Ni  Ni146  1  0.788077  0.457690  0.651148  1
  Ni  Ni147  1  0.017038  0.416446  0.672144  1
  Ni  Ni148  1  0.403880  0.934702  0.662758  1
  Ni  Ni149  1  0.788077  0.957690  0.651148  1
  Ni  Ni150  1  0.017038  0.916446  0.672144  1
  Ni  Ni151  1  0.188570  0.658707  0.680814  1
  Ni  Ni152  1  0.579223  0.675502  0.671651  1
  Ni  Ni153  1  0.965112  0.694779  0.658661  1
  Ni  Ni154  1  0.188570  0.158707  0.680814  1
  Ni  Ni155  1  0.579223  0.175502  0.671651  1
  Ni  Ni156  1  0.965112  0.194779  0.658661  1
  Ni  Ni157  1  0.242225  0.384236  0.690898  1
  Ni  Ni158  1  0.631049  0.401215  0.681864  1
  Ni  Ni159  1  0.854502  0.365564  0.699278  1
  Ni  Ni160  1  0.242225  0.884236  0.690898  1
  Ni  Ni161  1  0.631049  0.901215  0.681864  1
  Ni  Ni162  1  0.854502  0.865564  0.699278  1
  Ni  Ni163  1  0.019530  0.600097  0.706974  1
  Ni  Ni164  1  0.409496  0.616776  0.697585  1
  Ni  Ni165  1  0.801657  0.634961  0.689666  1
  Ni  Ni166  1  0.019530  0.100097  0.706974  1
  Ni  Ni167  1  0.409496  0.116776  0.697585  1
  Ni  Ni168  1  0.801657  0.134961  0.689666  1
  H  H169  1  0.058745  0.201785  0.297364  1
  H  H170  1  0.448873  0.209216  0.289128  1
  H  H171  1  0.843135  0.224030  0.279864  1
  H  H172  1  0.058745  0.701785  0.297364  1
  H  H173  1  0.448873  0.709216  0.289128  1
  H  H174  1  0.843135  0.724030  0.279864  1
  H  H175  1  0.895172  0.144454  0.331685  1
  H  H176  1  0.277817  0.165098  0.318925  1
  H  H177  1  0.664507  0.185118  0.308890  1
  H  H178  1  0.895172  0.644454  0.331685  1
  H  H179  1  0.277817  0.665098  0.318925  1
  H  H180  1  0.664507  0.685118  0.308890  1
  H  H181  1  0.730740  0.089549  0.364175  1
  H  H182  1  0.122746  0.102546  0.352000  1
  H  H183  1  0.505845  0.125995  0.341729  1
  H  H184  1  0.730740  0.589549  0.364175  1
  H  H185  1  0.122746  0.602546  0.352000  1
  H  H186  1  0.505845  0.625995  0.341729  1
  H  H187  1  0.568159  0.033904  0.394837  1
  H  H188  1  0.956929  0.051792  0.384339  1
  H  H189  1  0.343617  0.070569  0.374209  1
  H  H190  1  0.568159  0.533904  0.394837  1
  H  H191  1  0.956929  0.551792  0.384339  1
  H  H192  1  0.343617  0.570569  0.374209  1
  H  H193  1  0.406158  0.977928  0.426300  1
  H  H194  1  0.793916  0.996304  0.415938  1
  H  H195  1  0.182050  0.013743  0.405072  1
  H  H196  1  0.406158  0.477928  0.426300  1
  H  H197  1  0.793916  0.496304  0.415938  1
  H  H198  1  0.182050  0.513743  0.405072  1
  H  H199  1  0.243569  0.922679  0.457481  1
  H  H200  1  0.630941  0.941454  0.447117  1
  H  H201  1  0.019056  0.959181  0.436525  1
  H  H202  1  0.243569  0.422679  0.457481  1
  H  H203  1  0.630941  0.441454  0.447117  1
  H  H204  1  0.019056  0.459181  0.436525  1
  H  H205  1  0.080629  0.867883  0.488908  1
  H  H206  1  0.468177  0.886365  0.478540  1
  H  H207  1  0.856008  0.904455  0.468028  1
  H  H208  1  0.080629  0.367883  0.488908  1
  H  H209  1  0.468177  0.386365  0.478540  1
  H  H210  1  0.856008  0.404455  0.468028  1
  H  H211  1  0.917628  0.813119  0.520288  1
  H  H212  1  0.305459  0.831209  0.509776  1
  H  H213  1  0.693007  0.849690  0.499408  1
  H  H214  1  0.917628  0.313119  0.520288  1
  H  H215  1  0.305459  0.331209  0.509776  1
  H  H216  1  0.693007  0.349690  0.499408  1
  H  H217  1  0.754580  0.758392  0.551791  1
  H  H218  1  0.142695  0.776119  0.541199  1
  H  H219  1  0.530067  0.794894  0.530835  1
  H  H220  1  0.754580  0.258392  0.551791  1
  H  H221  1  0.142695  0.276119  0.541199  1
  H  H222  1  0.530067  0.294894  0.530835  1
  H  H223  1  0.591586  0.703831  0.583244  1
  H  H224  1  0.979720  0.721269  0.572378  1
  H  H225  1  0.367478  0.739646  0.562016  1
  H  H226  1  0.591586  0.203831  0.583244  1
  H  H227  1  0.979720  0.221269  0.572378  1
  H  H228  1  0.367478  0.239646  0.562016  1
  H  H229  1  0.430019  0.647004  0.614107  1
  H  H230  1  0.816707  0.665781  0.603977  1
  H  H231  1  0.205477  0.683670  0.593479  1
  H  H232  1  0.430019  0.147004  0.614107  1
  H  H233  1  0.816707  0.165781  0.603977  1
  H  H234  1  0.205477  0.183670  0.593479  1
  H  H235  1  0.267790  0.591578  0.646587  1
  H  H236  1  0.650889  0.615027  0.636316  1
  H  H237  1  0.042896  0.628025  0.624141  1
  H  H238  1  0.267790  0.091578  0.646587  1
  H  H239  1  0.650889  0.115027  0.636316  1
  H  H240  1  0.042896  0.128025  0.624141  1
  H  H241  1  0.109129  0.532455  0.679426  1
  H  H242  1  0.495819  0.552475  0.669391  1
  H  H243  1  0.878464  0.573119  0.656631  1
  H  H244  1  0.109129  0.032455  0.679426  1
  H  H245  1  0.495819  0.052475  0.669391  1
  H  H246  1  0.878464  0.073119  0.656631  1
  H  H247  1  0.930501  0.493544  0.708452  1
  H  H248  1  0.324763  0.508357  0.699187  1
  H  H249  1  0.714891  0.515789  0.690952  1
  H  H250  1  0.930501  0.993544  0.708452  1
  H  H251  1  0.324763  0.008357  0.699187  1
  H  H252  1  0.714891  0.015789  0.690952  1
