# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.19390305
_cell_length_b   11.42874520
_cell_length_c   47.33820374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.25761844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni216 H108'
_cell_volume   5828.73447682
_cell_formula_units_Z   108
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  0.208524  0.968340  0.292941  1
  Ni  Ni2  1  0.875190  0.968340  0.292941  1
  Ni  Ni3  1  0.807511  0.495537  0.282823  1
  Ni  Ni4  1  0.541857  0.968340  0.292941  1
  Ni  Ni5  1  0.474178  0.495537  0.282823  1
  Ni  Ni6  1  0.140845  0.495537  0.282823  1
  Ni  Ni7  1  0.391049  0.230846  0.288888  1
  Ni  Ni8  1  0.057716  0.230846  0.288888  1
  Ni  Ni9  1  0.991493  0.753400  0.278594  1
  Ni  Ni10  1  0.724383  0.230846  0.288888  1
  Ni  Ni11  1  0.658160  0.753400  0.278594  1
  Ni  Ni12  1  0.324827  0.753400  0.278594  1
  Ni  Ni13  1  0.010360  0.912130  0.315799  1
  Ni  Ni14  1  0.677026  0.912130  0.315799  1
  Ni  Ni15  1  0.609020  0.437999  0.303519  1
  Ni  Ni16  1  0.343693  0.912130  0.315799  1
  Ni  Ni17  1  0.275687  0.437999  0.303519  1
  Ni  Ni18  1  0.942353  0.437999  0.303519  1
  Ni  Ni19  1  0.196388  0.173932  0.308767  1
  Ni  Ni20  1  0.863055  0.173932  0.308767  1
  Ni  Ni21  1  0.796053  0.701900  0.298741  1
  Ni  Ni22  1  0.529721  0.173932  0.308767  1
  Ni  Ni23  1  0.462720  0.701900  0.298741  1
  Ni  Ni24  1  0.129386  0.701900  0.298741  1
  Ni  Ni25  1  0.814924  0.852777  0.340757  1
  Ni  Ni26  1  0.481591  0.852777  0.340757  1
  Ni  Ni27  1  0.410459  0.378095  0.329670  1
  Ni  Ni28  1  0.148258  0.852777  0.340757  1
  Ni  Ni29  1  0.077125  0.378095  0.329670  1
  Ni  Ni30  1  0.743792  0.378095  0.329670  1
  Ni  Ni31  1  1.005291  0.119630  0.335329  1
  Ni  Ni32  1  0.671957  0.119630  0.335329  1
  Ni  Ni33  1  0.602352  0.645058  0.324140  1
  Ni  Ni34  1  0.338624  0.119630  0.335329  1
  Ni  Ni35  1  0.269019  0.645058  0.324140  1
  Ni  Ni36  1  0.935686  0.645058  0.324140  1
  Ni  Ni37  1  0.622758  0.799127  0.365711  1
  Ni  Ni38  1  0.289425  0.799127  0.365711  1
  Ni  Ni39  1  0.218059  0.323978  0.353084  1
  Ni  Ni40  1  0.956092  0.799127  0.365711  1
  Ni  Ni41  1  0.884726  0.323978  0.353084  1
  Ni  Ni42  1  0.551393  0.323978  0.353084  1
  Ni  Ni43  1  0.813372  0.067029  0.359301  1
  Ni  Ni44  1  0.480038  0.067029  0.359301  1
  Ni  Ni45  1  0.409501  0.592617  0.347581  1
  Ni  Ni46  1  0.146705  0.067029  0.359301  1
  Ni  Ni47  1  0.076167  0.592617  0.347581  1
  Ni  Ni48  1  0.742834  0.592617  0.347581  1
  Ni  Ni49  1  0.429444  0.743562  0.390998  1
  Ni  Ni50  1  0.096111  0.743562  0.390998  1
  Ni  Ni51  1  0.025271  0.269624  0.378977  1
  Ni  Ni52  1  0.762778  0.743562  0.390998  1
  Ni  Ni53  1  0.691937  0.269624  0.378977  1
  Ni  Ni54  1  0.358604  0.269624  0.378977  1
  Ni  Ni55  1  0.619081  0.010979  0.385062  1
  Ni  Ni56  1  0.285748  0.010979  0.385062  1
  Ni  Ni57  1  0.215565  0.537419  0.373100  1
  Ni  Ni58  1  0.952414  0.010979  0.385062  1
  Ni  Ni59  1  0.882232  0.537419  0.373100  1
  Ni  Ni60  1  0.548898  0.537419  0.373100  1
  Ni  Ni61  1  0.236367  0.688980  0.416214  1
  Ni  Ni62  1  0.903034  0.688980  0.416214  1
  Ni  Ni63  1  0.832506  0.215547  0.403765  1
  Ni  Ni64  1  0.569701  0.688980  0.416214  1
  Ni  Ni65  1  0.499173  0.215547  0.403765  1
  Ni  Ni66  1  0.165839  0.215547  0.403765  1
  Ni  Ni67  1  0.426051  0.956866  0.410074  1
  Ni  Ni68  1  0.092718  0.956866  0.410074  1
  Ni  Ni69  1  0.021997  0.483361  0.397944  1
  Ni  Ni70  1  0.759384  0.956866  0.410074  1
  Ni  Ni71  1  0.688664  0.483361  0.397944  1
  Ni  Ni72  1  0.355330  0.483361  0.397944  1
  Ni  Ni73  1  0.043169  0.634276  0.441439  1
  Ni  Ni74  1  0.709836  0.634276  0.441439  1
  Ni  Ni75  1  0.639281  0.160798  0.429132  1
  Ni  Ni76  1  0.376502  0.634276  0.441439  1
  Ni  Ni77  1  0.305948  0.160798  0.429132  1
  Ni  Ni78  1  0.972615  0.160798  0.429132  1
  Ni  Ni79  1  0.232657  0.901833  0.435448  1
  Ni  Ni80  1  0.899324  0.901833  0.435448  1
  Ni  Ni81  1  0.828840  0.428628  0.423177  1
  Ni  Ni82  1  0.565991  0.901833  0.435448  1
  Ni  Ni83  1  0.495507  0.428628  0.423177  1
  Ni  Ni84  1  0.162174  0.428628  0.423177  1
  Ni  Ni85  1  0.850019  0.579646  0.466621  1
  Ni  Ni86  1  0.516686  0.579646  0.466621  1
  Ni  Ni87  1  0.446236  0.106463  0.454201  1
  Ni  Ni88  1  0.183352  0.579646  0.466621  1
  Ni  Ni89  1  0.112902  0.106463  0.454201  1
  Ni  Ni90  1  0.779569  0.106463  0.454201  1
  Ni  Ni91  1  0.039592  0.847441  0.460568  1
  Ni  Ni92  1  0.706258  0.847441  0.460568  1
  Ni  Ni93  1  0.635713  0.374248  0.448279  1
  Ni  Ni94  1  0.372925  0.847441  0.460568  1
  Ni  Ni95  1  0.302380  0.374248  0.448279  1
  Ni  Ni96  1  0.969047  0.374248  0.448279  1
  Ni  Ni97  1  0.656863  0.525033  0.491799  1
  Ni  Ni98  1  0.323529  0.525033  0.491799  1
  Ni  Ni99  1  0.253036  0.051805  0.479440  1
  Ni  Ni100  1  0.990196  0.525033  0.491799  1
  Ni  Ni101  1  0.919702  0.051805  0.479440  1
  Ni  Ni102  1  0.586369  0.051805  0.479440  1
  Ni  Ni103  1  0.846384  0.792749  0.485820  1
  Ni  Ni104  1  0.513050  0.792749  0.485820  1
  Ni  Ni105  1  0.442587  0.319627  0.473432  1
  Ni  Ni106  1  0.179717  0.792749  0.485820  1
  Ni  Ni107  1  0.109253  0.319627  0.473432  1
  Ni  Ni108  1  0.775920  0.319627  0.473432  1
  Ni  Ni109  1  0.463731  0.470479  0.516957  1
  Ni  Ni110  1  0.130398  0.470479  0.516957  1
  Ni  Ni111  1  0.059934  0.997357  0.504569  1
  Ni  Ni112  1  0.797065  0.470479  0.516957  1
  Ni  Ni113  1  0.726601  0.997357  0.504569  1
  Ni  Ni114  1  0.393268  0.997357  0.504569  1
  Ni  Ni115  1  0.653282  0.738301  0.510949  1
  Ni  Ni116  1  0.319949  0.738301  0.510949  1
  Ni  Ni117  1  0.249455  0.265072  0.498589  1
  Ni  Ni118  1  0.986616  0.738301  0.510949  1
  Ni  Ni119  1  0.916122  0.265072  0.498589  1
  Ni  Ni120  1  0.582789  0.265072  0.498589  1
  Ni  Ni121  1  0.270605  0.415858  0.542110  1
  Ni  Ni122  1  0.937271  0.415858  0.542110  1
  Ni  Ni123  1  0.866726  0.942664  0.529821  1
  Ni  Ni124  1  0.603938  0.415858  0.542110  1
  Ni  Ni125  1  0.533393  0.942664  0.529821  1
  Ni  Ni126  1  0.200060  0.942664  0.529821  1
  Ni  Ni127  1  0.460082  0.683642  0.536188  1
  Ni  Ni128  1  0.126749  0.683642  0.536188  1
  Ni  Ni129  1  0.056299  0.210459  0.523768  1
  Ni  Ni130  1  0.793416  0.683642  0.536188  1
  Ni  Ni131  1  0.722966  0.210459  0.523768  1
  Ni  Ni132  1  0.389632  0.210459  0.523768  1
  Ni  Ni133  1  0.077478  0.361477  0.567212  1
  Ni  Ni134  1  0.744144  0.361477  0.567212  1
  Ni  Ni135  1  0.673661  0.888273  0.554941  1
  Ni  Ni136  1  0.410811  0.361477  0.567212  1
  Ni  Ni137  1  0.340327  0.888273  0.554941  1
  Ni  Ni138  1  1.006994  0.888273  0.554941  1
  Ni  Ni139  1  0.267037  0.629308  0.561257  1
  Ni  Ni140  1  0.933703  0.629308  0.561257  1
  Ni  Ni141  1  0.863149  0.155829  0.548950  1
  Ni  Ni142  1  0.600370  0.629308  0.561257  1
  Ni  Ni143  1  0.529816  0.155829  0.548950  1
  Ni  Ni144  1  0.196482  0.155829  0.548950  1
  Ni  Ni145  1  0.884321  0.306745  0.592445  1
  Ni  Ni146  1  0.550987  0.306745  0.592445  1
  Ni  Ni147  1  0.480267  0.833239  0.580315  1
  Ni  Ni148  1  0.217654  0.306745  0.592445  1
  Ni  Ni149  1  0.146933  0.833239  0.580315  1
  Ni  Ni150  1  0.813600  0.833239  0.580315  1
  Ni  Ni151  1  0.073812  0.574558  0.586624  1
  Ni  Ni152  1  0.740479  0.574558  0.586624  1
  Ni  Ni153  1  0.669951  0.101125  0.574174  1
  Ni  Ni154  1  0.407145  0.574558  0.586624  1
  Ni  Ni155  1  0.336617  0.101125  0.574174  1
  Ni  Ni156  1  1.003284  0.101125  0.574174  1
  Ni  Ni157  1  0.690753  0.252687  0.617289  1
  Ni  Ni158  1  0.357420  0.252687  0.617289  1
  Ni  Ni159  1  0.287237  0.779126  0.605327  1
  Ni  Ni160  1  0.024086  0.252687  0.617289  1
  Ni  Ni161  1  0.953904  0.779126  0.605327  1
  Ni  Ni162  1  0.620570  0.779126  0.605327  1
  Ni  Ni163  1  0.881047  0.520481  0.611412  1
  Ni  Ni164  1  0.547714  0.520481  0.611412  1
  Ni  Ni165  1  0.476874  0.046543  0.599391  1
  Ni  Ni166  1  0.214381  0.520481  0.611412  1
  Ni  Ni167  1  0.143540  0.046543  0.599391  1
  Ni  Ni168  1  0.810207  0.046543  0.599391  1
  Ni  Ni169  1  0.496817  0.197489  0.642808  1
  Ni  Ni170  1  0.163484  0.197489  0.642808  1
  Ni  Ni171  1  0.092946  0.723077  0.631088  1
  Ni  Ni172  1  0.830151  0.197489  0.642808  1
  Ni  Ni173  1  0.759613  0.723077  0.631088  1
  Ni  Ni174  1  0.426280  0.723077  0.631088  1
  Ni  Ni175  1  0.688259  0.466127  0.637305  1
  Ni  Ni176  1  0.354925  0.466127  0.637305  1
  Ni  Ni177  1  0.283560  0.990979  0.624678  1
  Ni  Ni178  1  0.021592  0.466127  0.637305  1
  Ni  Ni179  1  0.950226  0.990979  0.624678  1
  Ni  Ni180  1  0.616893  0.990979  0.624678  1
  Ni  Ni181  1  0.303966  0.145048  0.666249  1
  Ni  Ni182  1  0.970632  0.145048  0.666249  1
  Ni  Ni183  1  0.901027  0.670476  0.655059  1
  Ni  Ni184  1  0.637299  0.145048  0.666249  1
  Ni  Ni185  1  0.567694  0.670476  0.655059  1
  Ni  Ni186  1  0.234361  0.670476  0.655059  1
  Ni  Ni187  1  0.495859  0.412011  0.660719  1
  Ni  Ni188  1  0.162526  0.412011  0.660719  1
  Ni  Ni189  1  0.091394  0.937328  0.649632  1
  Ni  Ni190  1  0.829193  0.412011  0.660719  1
  Ni  Ni191  1  0.758060  0.937328  0.649632  1
  Ni  Ni192  1  0.424727  0.937328  0.649632  1
  Ni  Ni193  1  0.110265  0.088205  0.691648  1
  Ni  Ni194  1  0.776932  0.088205  0.691648  1
  Ni  Ni195  1  0.709930  0.616173  0.681622  1
  Ni  Ni196  1  0.443598  0.088205  0.691648  1
  Ni  Ni197  1  0.376597  0.616173  0.681622  1
  Ni  Ni198  1  0.043263  0.616173  0.681622  1
  Ni  Ni199  1  0.297298  0.352106  0.686870  1
  Ni  Ni200  1  0.963965  0.352106  0.686870  1
  Ni  Ni201  1  0.895958  0.877976  0.674590  1
  Ni  Ni202  1  0.630631  0.352106  0.686870  1
  Ni  Ni203  1  0.562625  0.877976  0.674590  1
  Ni  Ni204  1  0.229292  0.877976  0.674590  1
  Ni  Ni205  1  0.914825  0.036705  0.711795  1
  Ni  Ni206  1  0.581491  0.036705  0.711795  1
  Ni  Ni207  1  0.515269  0.559260  0.701501  1
  Ni  Ni208  1  0.248158  0.036705  0.711795  1
  Ni  Ni209  1  0.181935  0.559260  0.701501  1
  Ni  Ni210  1  0.848602  0.559260  0.701501  1
  Ni  Ni211  1  0.098807  0.294568  0.707566  1
  Ni  Ni212  1  0.765473  0.294568  0.707566  1
  Ni  Ni213  1  0.697794  0.821765  0.697448  1
  Ni  Ni214  1  0.432140  0.294568  0.707566  1
  Ni  Ni215  1  0.364461  0.821765  0.697448  1
  Ni  Ni216  1  0.031128  0.821765  0.697448  1
  H  H217  1  0.248260  0.127112  0.275126  1
  H  H218  1  0.914927  0.127112  0.275126  1
  H  H219  1  0.630695  0.596776  0.284249  1
  H  H220  1  0.581593  0.127112  0.275126  1
  H  H221  1  0.297362  0.596776  0.284249  1
  H  H222  1  0.964029  0.596776  0.284249  1
  H  H223  1  0.036580  0.073790  0.296362  1
  H  H224  1  0.703247  0.073790  0.296362  1
  H  H225  1  0.435849  0.540231  0.311299  1
  H  H226  1  0.369913  0.073790  0.296362  1
  H  H227  1  0.102515  0.540231  0.311299  1
  H  H228  1  0.769182  0.540231  0.311299  1
  H  H229  1  0.841038  0.016005  0.323411  1
  H  H230  1  0.507705  0.016005  0.323411  1
  H  H231  1  0.243382  0.483481  0.337638  1
  H  H232  1  0.174371  0.016005  0.323411  1
  H  H233  1  0.910049  0.483481  0.337638  1
  H  H234  1  0.576716  0.483481  0.337638  1
  H  H235  1  0.647466  0.959775  0.350114  1
  H  H236  1  0.314133  0.959775  0.350114  1
  H  H237  1  0.050258  0.432120  0.363614  1
  H  H238  1  0.980799  0.959775  0.350114  1
  H  H239  1  0.716924  0.432120  0.363614  1
  H  H240  1  0.383591  0.432120  0.363614  1
  H  H241  1  0.454524  0.905986  0.375350  1
  H  H242  1  0.121191  0.905986  0.375350  1
  H  H243  1  0.856937  0.375845  0.388277  1
  H  H244  1  0.787857  0.905986  0.375350  1
  H  H245  1  0.523604  0.375845  0.388277  1
  H  H246  1  0.190271  0.375845  0.388277  1
  H  H247  1  0.260949  0.850039  0.400631  1
  H  H248  1  0.927616  0.850039  0.400631  1
  H  H249  1  0.663914  0.322135  0.413643  1
  H  H250  1  0.594282  0.850039  0.400631  1
  H  H251  1  0.330580  0.322135  0.413643  1
  H  H252  1  0.997247  0.322135  0.413643  1
  H  H253  1  0.067934  0.795670  0.425768  1
  H  H254  1  0.734601  0.795670  0.425768  1
  H  H255  1  0.470813  0.267313  0.438634  1
  H  H256  1  0.401267  0.795670  0.425768  1
  H  H257  1  0.137479  0.267313  0.438634  1
  H  H258  1  0.804146  0.267313  0.438634  1
  H  H259  1  0.874695  0.740792  0.451012  1
  H  H260  1  0.541362  0.740792  0.451012  1
  H  H261  1  0.277685  0.212938  0.463867  1
  H  H262  1  0.208029  0.740792  0.451012  1
  H  H263  1  0.944351  0.212938  0.463867  1
  H  H264  1  0.611018  0.212938  0.463867  1
  H  H265  1  0.681597  0.686335  0.476181  1
  H  H266  1  0.348263  0.686335  0.476181  1
  H  H267  1  0.084573  0.158399  0.488996  1
  H  H268  1  0.014930  0.686335  0.476181  1
  H  H269  1  0.751240  0.158399  0.488996  1
  H  H270  1  0.417907  0.158399  0.488996  1
  H  H271  1  0.488411  0.631707  0.501393  1
  H  H272  1  0.155078  0.631707  0.501393  1
  H  H273  1  0.891388  0.103770  0.514208  1
  H  H274  1  0.821744  0.631707  0.501393  1
  H  H275  1  0.558055  0.103770  0.514208  1
  H  H276  1  0.224721  0.103770  0.514208  1
  H  H277  1  0.295300  0.577168  0.526522  1
  H  H278  1  0.961966  0.577168  0.526522  1
  H  H279  1  0.698289  0.049313  0.539377  1
  H  H280  1  0.628633  0.577168  0.526522  1
  H  H281  1  0.364956  0.049313  0.539377  1
  H  H282  1  0.031623  0.049313  0.539377  1
  H  H283  1  0.102172  0.522793  0.551755  1
  H  H284  1  0.768839  0.522793  0.551755  1
  H  H285  1  0.505051  0.994435  0.564620  1
  H  H286  1  0.435505  0.522793  0.551755  1
  H  H287  1  0.171717  0.994435  0.564620  1
  H  H288  1  0.838384  0.994435  0.564620  1
  H  H289  1  0.909071  0.467970  0.576745  1
  H  H290  1  0.575738  0.467970  0.576745  1
  H  H291  1  0.312035  0.940066  0.589758  1
  H  H292  1  0.242404  0.467970  0.576745  1
  H  H293  1  0.978702  0.940066  0.589758  1
  H  H294  1  0.645369  0.940066  0.589758  1
  H  H295  1  0.716047  0.414260  0.602111  1
  H  H296  1  0.382714  0.414260  0.602111  1
  H  H297  1  0.118461  0.884119  0.615039  1
  H  H298  1  0.049381  0.414260  0.602111  1
  H  H299  1  0.785127  0.884119  0.615039  1
  H  H300  1  0.451794  0.884119  0.615039  1
  H  H301  1  0.522727  0.357986  0.626774  1
  H  H302  1  0.189394  0.357986  0.626774  1
  H  H303  1  0.925518  0.830331  0.640275  1
  H  H304  1  0.856060  0.357986  0.626774  1
  H  H305  1  0.592185  0.830331  0.640275  1
  H  H306  1  0.258852  0.830331  0.640275  1
  H  H307  1  0.329602  0.306624  0.652751  1
  H  H308  1  0.996269  0.306624  0.652751  1
  H  H309  1  0.731947  0.774100  0.666978  1
  H  H310  1  0.662936  0.306624  0.652751  1
  H  H311  1  0.398613  0.774100  0.666978  1
  H  H312  1  0.065280  0.774100  0.666978  1
  H  H313  1  0.137136  0.249874  0.679090  1
  H  H314  1  0.803803  0.249874  0.679090  1
  H  H315  1  0.536405  0.716316  0.694027  1
  H  H316  1  0.470469  0.249874  0.679090  1
  H  H317  1  0.203071  0.716316  0.694027  1
  H  H318  1  0.869738  0.716316  0.694027  1
  H  H319  1  0.942289  0.193329  0.706140  1
  H  H320  1  0.608956  0.193329  0.706140  1
  H  H321  1  0.324725  0.662993  0.715263  1
  H  H322  1  0.275623  0.193329  0.706140  1
  H  H323  1  0.991391  0.662993  0.715263  1
  H  H324  1  0.658058  0.662993  0.715263  1
