# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51702758
_cell_length_b   17.68099522
_cell_length_c   51.34995267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.77797718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni270 H90'
_cell_volume   7732.0520979
_cell_formula_units_Z   90
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  0.952179  0.408101  0.329189  1
  Ni  Ni2  1  0.709102  0.411130  0.298786  1
  Ni  Ni3  1  0.618845  0.074768  0.329189  1
  Ni  Ni4  1  0.448980  0.397399  0.274410  1
  Ni  Ni5  1  0.375769  0.077797  0.298786  1
  Ni  Ni6  1  0.285512  0.741435  0.329189  1
  Ni  Ni7  1  0.115646  0.064066  0.274410  1
  Ni  Ni8  1  0.042436  0.744463  0.298786  1
  Ni  Ni9  1  0.782313  0.730732  0.274410  1
  Ni  Ni10  1  0.986916  0.535831  0.308526  1
  Ni  Ni11  1  0.751667  0.536698  0.279858  1
  Ni  Ni12  1  0.653583  0.202498  0.308526  1
  Ni  Ni13  1  0.251706  0.531138  0.334015  1
  Ni  Ni14  1  0.418334  0.203365  0.279858  1
  Ni  Ni15  1  0.320249  0.869165  0.308526  1
  Ni  Ni16  1  0.918372  0.197805  0.334015  1
  Ni  Ni17  1  0.085001  0.870031  0.279858  1
  Ni  Ni18  1  0.585039  0.864471  0.334015  1
  Ni  Ni19  1  1.011391  0.417885  0.282794  1
  Ni  Ni20  1  0.500544  0.422110  0.337061  1
  Ni  Ni21  1  0.678058  0.084551  0.282794  1
  Ni  Ni22  1  0.258881  0.410286  0.310276  1
  Ni  Ni23  1  0.167211  0.088777  0.337061  1
  Ni  Ni24  1  0.344724  0.751218  0.282794  1
  Ni  Ni25  1  0.925548  0.076952  0.310276  1
  Ni  Ni26  1  0.833878  0.755443  0.337061  1
  Ni  Ni27  1  0.592214  0.743619  0.310276  1
  Ni  Ni28  1  0.792349  0.644102  0.309723  1
  Ni  Ni29  1  0.537384  0.638849  0.280973  1
  Ni  Ni30  1  0.459015  0.310769  0.309723  1
  Ni  Ni31  1  0.045297  0.650560  0.335520  1
  Ni  Ni32  1  0.204050  0.305516  0.280973  1
  Ni  Ni33  1  0.125682  0.977435  0.309723  1
  Ni  Ni34  1  0.711964  0.317227  0.335520  1
  Ni  Ni35  1  0.870717  0.972182  0.280973  1
  Ni  Ni36  1  0.378631  0.983893  0.335520  1
  Ni  Ni37  1  0.716151  0.517749  0.329261  1
  Ni  Ni38  1  0.476867  0.511523  0.299507  1
  Ni  Ni39  1  0.382817  0.184416  0.329261  1
  Ni  Ni40  1  0.219880  0.514346  0.279308  1
  Ni  Ni41  1  0.143534  0.178190  0.299507  1
  Ni  Ni42  1  0.049484  0.851083  0.329261  1
  Ni  Ni43  1  0.886547  0.181013  0.279308  1
  Ni  Ni44  1  0.810200  0.844857  0.299507  1
  Ni  Ni45  1  0.553214  0.847680  0.279308  1
  Ni  Ni46  1  0.991842  0.629356  0.275437  1
  Ni  Ni47  1  0.493471  0.623467  0.328237  1
  Ni  Ni48  1  0.658509  0.296023  0.275437  1
  Ni  Ni49  1  0.247253  0.632447  0.300109  1
  Ni  Ni50  1  0.160138  0.290134  0.328237  1
  Ni  Ni51  1  0.325175  0.962689  0.275437  1
  Ni  Ni52  1  0.913919  0.299114  0.300109  1
  Ni  Ni53  1  0.826805  0.956801  0.328237  1
  Ni  Ni54  1  0.580586  0.965781  0.300109  1
  Ni  Ni55  1  0.692699  0.409281  0.414026  1
  Ni  Ni56  1  0.441868  0.408084  0.385447  1
  Ni  Ni57  1  0.359366  0.075948  0.414026  1
  Ni  Ni58  1  0.193671  0.403659  0.356860  1
  Ni  Ni59  1  0.108535  0.074751  0.385447  1
  Ni  Ni60  1  0.026033  0.742614  0.414026  1
  Ni  Ni61  1  0.860338  0.070325  0.356860  1
  Ni  Ni62  1  0.775202  0.741417  0.385447  1
  Ni  Ni63  1  0.527004  0.736992  0.356860  1
  Ni  Ni64  1  0.763742  0.539453  0.393899  1
  Ni  Ni65  1  0.509436  0.536027  0.365385  1
  Ni  Ni66  1  0.430409  0.206120  0.393899  1
  Ni  Ni67  1  1.015671  0.538938  0.421912  1
  Ni  Ni68  1  0.176102  0.202694  0.365385  1
  Ni  Ni69  1  0.097076  0.872786  0.393899  1
  Ni  Ni70  1  0.682338  0.205604  0.421912  1
  Ni  Ni71  1  0.842769  0.869360  0.365385  1
  Ni  Ni72  1  0.349005  0.872271  0.421912  1
  Ni  Ni73  1  0.743777  0.425097  0.365754  1
  Ni  Ni74  1  0.238982  0.427027  0.422838  1
  Ni  Ni75  1  0.410444  0.091764  0.365754  1
  Ni  Ni76  1  0.990679  0.423639  0.393690  1
  Ni  Ni77  1  0.905649  0.093694  0.422838  1
  Ni  Ni78  1  0.077110  0.758430  0.365754  1
  Ni  Ni79  1  0.657345  0.090305  0.393690  1
  Ni  Ni80  1  0.572316  0.760360  0.422838  1
  Ni  Ni81  1  0.324012  0.756972  0.393690  1
  Ni  Ni82  1  0.540696  0.649315  0.394306  1
  Ni  Ni83  1  0.291324  0.645390  0.364462  1
  Ni  Ni84  1  0.207363  0.315982  0.394306  1
  Ni  Ni85  1  0.793069  0.651859  0.422767  1
  Ni  Ni86  1  0.957990  0.312057  0.364462  1
  Ni  Ni87  1  0.874029  0.982648  0.394306  1
  Ni  Ni88  1  0.459735  0.318526  0.422767  1
  Ni  Ni89  1  0.624657  0.978723  0.364462  1
  Ni  Ni90  1  0.126402  0.985192  0.422767  1
  Ni  Ni91  1  0.468958  0.519998  0.414432  1
  Ni  Ni92  1  0.219140  0.517271  0.384735  1
  Ni  Ni93  1  0.135624  0.186664  0.414432  1
  Ni  Ni94  1  0.968926  0.519999  0.357326  1
  Ni  Ni95  1  0.885807  0.183938  0.384735  1
  Ni  Ni96  1  0.802291  0.853331  0.414432  1
  Ni  Ni97  1  0.635593  0.186666  0.357326  1
  Ni  Ni98  1  0.552473  0.850604  0.384735  1
  Ni  Ni99  1  0.302259  0.853332  0.357326  1
  Ni  Ni100  1  0.741237  0.631950  0.357101  1
  Ni  Ni101  1  0.245763  0.631505  0.413378  1
  Ni  Ni102  1  0.407903  0.298616  0.357101  1
  Ni  Ni103  1  0.996192  0.633251  0.384734  1
  Ni  Ni104  1  0.912430  0.298172  0.413378  1
  Ni  Ni105  1  0.074570  0.965283  0.357101  1
  Ni  Ni106  1  0.662858  0.299918  0.384734  1
  Ni  Ni107  1  0.579096  0.964838  0.413378  1
  Ni  Ni108  1  0.329525  0.966585  0.384734  1
  Ni  Ni109  1  0.443775  0.413067  0.500180  1
  Ni  Ni110  1  0.193604  0.411126  0.471259  1
  Ni  Ni111  1  0.110441  0.079733  0.500180  1
  Ni  Ni112  1  0.943335  0.409042  0.442262  1
  Ni  Ni113  1  0.860271  0.077793  0.471259  1
  Ni  Ni114  1  0.777108  0.746400  0.500180  1
  Ni  Ni115  1  0.610002  0.075708  0.442262  1
  Ni  Ni116  1  0.526937  0.744459  0.471259  1
  Ni  Ni117  1  0.276668  0.742375  0.442262  1
  Ni  Ni118  1  0.516903  0.542826  0.480094  1
  Ni  Ni119  1  0.265840  0.540983  0.451167  1
  Ni  Ni120  1  0.183569  0.209492  0.480094  1
  Ni  Ni121  1  0.767289  0.543040  0.508391  1
  Ni  Ni122  1  0.932506  0.207649  0.451167  1
  Ni  Ni123  1  0.850236  0.876159  0.480094  1
  Ni  Ni124  1  0.433956  0.209707  0.508391  1
  Ni  Ni125  1  0.599173  0.874316  0.451167  1
  Ni  Ni126  1  0.100623  0.876374  0.508391  1
  Ni  Ni127  1  0.489745  0.428678  0.451747  1
  Ni  Ni128  1  0.991149  0.430726  0.508741  1
  Ni  Ni129  1  0.156412  0.095345  0.451747  1
  Ni  Ni130  1  0.740227  0.428997  0.480084  1
  Ni  Ni131  1  0.657816  0.097393  0.508741  1
  Ni  Ni132  1  0.823079  0.762011  0.451747  1
  Ni  Ni133  1  0.406894  0.095663  0.480084  1
  Ni  Ni134  1  0.324482  0.764059  0.508741  1
  Ni  Ni135  1  0.073561  0.762330  0.480084  1
  Ni  Ni136  1  0.294104  0.653643  0.480056  1
  Ni  Ni137  1  0.043934  0.651703  0.451134  1
  Ni  Ni138  1  0.960771  0.320310  0.480056  1
  Ni  Ni139  1  0.544373  0.655728  0.509053  1
  Ni  Ni140  1  0.710600  0.318369  0.451134  1
  Ni  Ni141  1  0.627437  0.986977  0.480056  1
  Ni  Ni142  1  0.211040  0.322394  0.509053  1
  Ni  Ni143  1  0.377267  0.985036  0.451134  1
  Ni  Ni144  1  0.877706  0.989061  0.509053  1
  Ni  Ni145  1  0.221868  0.523787  0.500148  1
  Ni  Ni146  1  0.970805  0.521944  0.471221  1
  Ni  Ni147  1  0.888535  0.190454  0.500148  1
  Ni  Ni148  1  0.720419  0.521729  0.442924  1
  Ni  Ni149  1  0.637472  0.188610  0.471221  1
  Ni  Ni150  1  0.555202  0.857120  0.500148  1
  Ni  Ni151  1  0.387086  0.188396  0.442924  1
  Ni  Ni152  1  0.304139  0.855277  0.471221  1
  Ni  Ni153  1  0.053752  0.855062  0.442924  1
  Ni  Ni154  1  0.496559  0.634043  0.442574  1
  Ni  Ni155  1  0.997963  0.636091  0.499568  1
  Ni  Ni156  1  0.163226  0.300710  0.442574  1
  Ni  Ni157  1  0.747481  0.635773  0.471231  1
  Ni  Ni158  1  0.664630  0.302758  0.499568  1
  Ni  Ni159  1  0.829892  0.967377  0.442574  1
  Ni  Ni160  1  0.414147  0.302440  0.471231  1
  Ni  Ni161  1  0.331296  0.969425  0.499568  1
  Ni  Ni162  1  0.080814  0.969106  0.471231  1
  Ni  Ni163  1  0.196384  0.419379  0.586853  1
  Ni  Ni164  1  0.947012  0.415454  0.557009  1
  Ni  Ni165  1  0.863051  0.086046  0.586853  1
  Ni  Ni166  1  0.694639  0.412911  0.528548  1
  Ni  Ni167  1  0.613679  0.082121  0.557009  1
  Ni  Ni168  1  0.529718  0.752713  0.586853  1
  Ni  Ni169  1  0.361306  0.079577  0.528548  1
  Ni  Ni170  1  0.280346  0.748788  0.557009  1
  Ni  Ni171  1  0.027973  0.746244  0.528548  1
  Ni  Ni172  1  0.268568  0.547499  0.566580  1
  Ni  Ni173  1  1.018750  0.544772  0.536883  1
  Ni  Ni174  1  0.935235  0.214165  0.566580  1
  Ni  Ni175  1  0.518782  0.544770  0.593989  1
  Ni  Ni176  1  0.685417  0.211438  0.536883  1
  Ni  Ni177  1  0.601902  0.880832  0.566580  1
  Ni  Ni178  1  0.185449  0.211437  0.593989  1
  Ni  Ni179  1  0.352084  0.878105  0.536883  1
  Ni  Ni180  1  0.852116  0.878104  0.593989  1
  Ni  Ni181  1  0.241945  0.433264  0.537937  1
  Ni  Ni182  1  0.746471  0.432820  0.594214  1
  Ni  Ni183  1  0.908612  0.099931  0.537937  1
  Ni  Ni184  1  0.491516  0.431518  0.566581  1
  Ni  Ni185  1  0.413138  0.099486  0.594214  1
  Ni  Ni186  1  0.575278  0.766598  0.537937  1
  Ni  Ni187  1  0.158183  0.098185  0.566581  1
  Ni  Ni188  1  0.079805  0.766153  0.594214  1
  Ni  Ni189  1  0.824850  0.764852  0.566581  1
  Ni  Ni190  1  0.045840  0.656686  0.565868  1
  Ni  Ni191  1  0.795009  0.655489  0.537289  1
  Ni  Ni192  1  0.712506  0.323352  0.565868  1
  Ni  Ni193  1  0.294037  0.661111  0.594455  1
  Ni  Ni194  1  0.461675  0.322155  0.537289  1
  Ni  Ni195  1  0.379173  0.990019  0.565868  1
  Ni  Ni196  1  0.960704  0.327777  0.594455  1
  Ni  Ni197  1  0.128342  0.988822  0.537289  1
  Ni  Ni198  1  0.627370  0.994444  0.594455  1
  Ni  Ni199  1  0.978272  0.528742  0.585930  1
  Ni  Ni200  1  0.723966  0.525317  0.557416  1
  Ni  Ni201  1  0.644939  0.195409  0.585930  1
  Ni  Ni202  1  0.472037  0.525832  0.529403  1
  Ni  Ni203  1  0.390633  0.191983  0.557416  1
  Ni  Ni204  1  0.311606  0.862076  0.585930  1
  Ni  Ni205  1  0.138703  0.192498  0.529403  1
  Ni  Ni206  1  0.057299  0.858650  0.557416  1
  Ni  Ni207  1  0.805370  0.859165  0.529403  1
  Ni  Ni208  1  0.248726  0.637743  0.528477  1
  Ni  Ni209  1  0.743931  0.639673  0.585561  1
  Ni  Ni210  1  0.915392  0.304409  0.528477  1
  Ni  Ni211  1  0.497029  0.641131  0.557625  1
  Ni  Ni212  1  0.410598  0.306339  0.585561  1
  Ni  Ni213  1  0.582059  0.971076  0.528477  1
  Ni  Ni214  1  0.163696  0.307797  0.557625  1
  Ni  Ni215  1  0.077264  0.973006  0.585561  1
  Ni  Ni216  1  0.830363  0.974464  0.557625  1
  Ni  Ni217  1  0.950325  0.425920  0.670342  1
  Ni  Ni218  1  0.695359  0.420667  0.641592  1
  Ni  Ni219  1  0.616991  0.092587  0.670342  1
  Ni  Ni220  1  0.442411  0.414209  0.615795  1
  Ni  Ni221  1  0.362026  0.087334  0.641592  1
  Ni  Ni222  1  0.283658  0.759254  0.670342  1
  Ni  Ni223  1  0.109078  0.080876  0.615795  1
  Ni  Ni224  1  0.028693  0.754001  0.641592  1
  Ni  Ni225  1  0.775744  0.747543  0.615795  1
  Ni  Ni226  1  1.010841  0.553246  0.651808  1
  Ni  Ni227  1  0.771558  0.547020  0.622054  1
  Ni  Ni228  1  0.677508  0.219913  0.651808  1
  Ni  Ni229  1  0.267828  0.550423  0.672007  1
  Ni  Ni230  1  0.438224  0.213687  0.622054  1
  Ni  Ni231  1  0.344174  0.886579  0.651808  1
  Ni  Ni232  1  0.934494  0.217090  0.672007  1
  Ni  Ni233  1  0.104891  0.880353  0.622054  1
  Ni  Ni234  1  0.601161  0.883756  0.672007  1
  Ni  Ni235  1  0.994237  0.441302  0.623078  1
  Ni  Ni236  1  0.495866  0.435414  0.675878  1
  Ni  Ni237  1  0.660903  0.107969  0.623078  1
  Ni  Ni238  1  0.240455  0.432322  0.651206  1
  Ni  Ni239  1  0.162533  0.102080  0.675878  1
  Ni  Ni240  1  0.327570  0.774636  0.623078  1
  Ni  Ni241  1  0.907122  0.098989  0.651206  1
  Ni  Ni242  1  0.829199  0.768747  0.675878  1
  Ni  Ni243  1  0.573789  0.765655  0.651206  1
  Ni  Ni244  1  0.778606  0.653639  0.652529  1
  Ni  Ni245  1  0.535530  0.656668  0.622126  1
  Ni  Ni246  1  0.445272  0.320306  0.652529  1
  Ni  Ni247  1  0.038729  0.667370  0.676905  1
  Ni  Ni248  1  0.202196  0.323335  0.622126  1
  Ni  Ni249  1  0.111939  0.986973  0.652529  1
  Ni  Ni250  1  0.705395  0.334037  0.676905  1
  Ni  Ni251  1  0.868863  0.990002  0.622126  1
  Ni  Ni252  1  0.372062  1.000704  0.676905  1
  Ni  Ni253  1  0.736041  0.528072  0.671457  1
  Ni  Ni254  1  0.500792  0.528938  0.642789  1
  Ni  Ni255  1  0.402707  0.194738  0.671457  1
  Ni  Ni256  1  0.236002  0.533631  0.617300  1
  Ni  Ni257  1  0.167459  0.195605  0.642789  1
  Ni  Ni258  1  0.069374  0.861405  0.671457  1
  Ni  Ni259  1  0.902669  0.200298  0.617300  1
  Ni  Ni260  1  0.834126  0.862271  0.642789  1
  Ni  Ni261  1  0.569336  0.866965  0.617300  1
  Ni  Ni262  1  0.987164  0.642659  0.614254  1
  Ni  Ni263  1  0.476317  0.646885  0.668521  1
  Ni  Ni264  1  0.653830  0.309326  0.614254  1
  Ni  Ni265  1  0.228827  0.654484  0.641039  1
  Ni  Ni266  1  0.142984  0.313551  0.668521  1
  Ni  Ni267  1  0.320497  0.975993  0.614254  1
  Ni  Ni268  1  0.895494  0.321151  0.641039  1
  Ni  Ni269  1  0.809650  0.980218  0.668521  1
  Ni  Ni270  1  0.562161  0.987817  0.641039  1
  H  H271  1  0.866204  0.468703  0.278000  1
  H  H272  1  0.589791  0.463624  0.274077  1
  H  H273  1  0.532871  0.135369  0.278000  1
  H  H274  1  0.117836  0.470308  0.306202  1
  H  H275  1  0.256458  0.130290  0.274077  1
  H  H276  1  0.199537  0.802036  0.278000  1
  H  H277  1  0.784503  0.136975  0.306202  1
  H  H278  1  0.923124  0.796957  0.274077  1
  H  H279  1  0.451170  0.803641  0.306202  1
  H  H280  1  0.877303  0.584403  0.334982  1
  H  H281  1  0.631705  0.580435  0.301383  1
  H  H282  1  0.543969  0.251070  0.334982  1
  H  H283  1  0.369454  0.577720  0.276879  1
  H  H284  1  0.298372  0.247102  0.301383  1
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  H  H286  1  0.036120  0.244387  0.276879  1
  H  H287  1  0.965039  0.913768  0.301383  1
  H  H288  1  0.702787  0.911054  0.276879  1
  H  H289  1  0.603308  0.472253  0.389129  1
  H  H290  1  0.351323  0.470428  0.359248  1
  H  H291  1  0.269974  0.138920  0.389129  1
  H  H292  1  0.854660  0.473048  0.417493  1
  H  H293  1  1.017990  0.137095  0.359248  1
  H  H294  1  0.936641  0.805586  0.389129  1
  H  H295  1  0.521327  0.139715  0.417493  1
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  H  H299  1  0.379211  0.583981  0.390060  1
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  H  H301  1  0.132108  0.582571  0.360264  1
  H  H302  1  0.045878  0.250648  0.390060  1
  H  H303  1  0.964606  0.919896  0.418977  1
  H  H304  1  0.798774  0.249238  0.360264  1
  H  H305  1  0.712545  0.917314  0.390060  1
  H  H306  1  0.465441  0.915905  0.360264  1
  H  H307  1  0.354952  0.476123  0.475251  1
  H  H308  1  0.103935  0.474466  0.446343  1
  H  H309  1  1.021619  0.142789  0.475251  1
  H  H310  1  0.604986  0.477255  0.504082  1
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  H  H312  1  0.688286  0.809456  0.475251  1
  H  H313  1  0.271653  0.143922  0.504082  1
  H  H314  1  0.437268  0.807799  0.446343  1
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  H  H318  1  0.050440  0.256970  0.504972  1
  H  H319  1  0.882722  0.587514  0.447233  1
  H  H320  1  0.799423  0.255314  0.476064  1
  H  H321  1  0.717107  0.923637  0.504972  1
  H  H322  1  0.549389  0.254181  0.447233  1
  H  H323  1  0.466089  0.921980  0.476064  1
  H  H324  1  0.216056  0.920847  0.447233  1
  H  H325  1  0.108497  0.480788  0.561255  1
  H  H326  1  0.856435  0.478207  0.532338  1
  H  H327  1  0.775164  0.147455  0.561255  1
  H  H328  1  0.355601  0.482198  0.591051  1
  H  H329  1  0.523102  0.144874  0.532338  1
  H  H330  1  0.441830  0.814122  0.561255  1
  H  H331  1  1.022267  0.148865  0.591051  1
  H  H332  1  0.189769  0.811540  0.532338  1
  H  H333  1  0.688934  0.815531  0.591051  1
  H  H334  1  0.136385  0.594341  0.592067  1
  H  H335  1  0.884400  0.592517  0.562186  1
  H  H336  1  0.803051  0.261008  0.592067  1
  H  H337  1  0.633048  0.591721  0.533822  1
  H  H338  1  0.551067  0.259183  0.562186  1
  H  H339  1  0.469718  0.927675  0.592067  1
  H  H340  1  0.299715  0.258388  0.533822  1
  H  H341  1  0.217734  0.925850  0.562186  1
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  H  H343  1  0.856003  0.484334  0.649932  1
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  H  H358  1  0.036538  0.261128  0.645113  1
  H  H359  1  0.954838  0.929400  0.673315  1
  H  H360  1  0.703205  0.927795  0.645113  1
