# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39703762
_cell_length_b   17.72024382
_cell_length_c   49.14672290
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.23556008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni180 H60'
_cell_volume   4699.14357424
_cell_formula_units_Z   60
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  0.805520  0.368365  0.277346  1
  Ni  Ni2  1  0.552143  0.041347  0.294568  1
  Ni  Ni3  1  0.308384  0.701629  0.308680  1
  Ni  Ni4  1  0.107535  0.470779  0.278378  1
  Ni  Ni5  1  0.756820  0.164729  0.285408  1
  Ni  Ni6  1  0.504446  0.827930  0.302440  1
  Ni  Ni7  1  0.400680  0.378723  0.296711  1
  Ni  Ni8  1  0.966652  0.039852  0.276804  1
  Ni  Ni9  1  0.721648  0.699555  0.292919  1
  Ni  Ni10  1  0.012255  0.595042  0.297725  1
  Ni  Ni11  1  0.495552  0.264587  0.271263  1
  Ni  Ni12  1  0.250826  0.935847  0.288694  1
  Ni  Ni13  1  0.730431  0.481300  0.306378  1
  Ni  Ni14  1  0.250956  0.144191  0.285126  1
  Ni  Ni15  1  0.010462  0.810311  0.300398  1
  Ni  Ni16  1  0.471707  0.575788  0.285227  1
  Ni  Ni17  1  0.087330  0.271139  0.289940  1
  Ni  Ni18  1  0.840959  0.935918  0.307319  1
  Ni  Ni19  1  0.007013  0.381643  0.321472  1
  Ni  Ni20  1  0.759886  0.049544  0.338751  1
  Ni  Ni21  1  0.512656  0.715885  0.354503  1
  Ni  Ni22  1  0.286948  0.495459  0.321286  1
  Ni  Ni23  1  0.984794  0.172859  0.327681  1
  Ni  Ni24  1  0.741493  0.838599  0.344635  1
  Ni  Ni25  1  0.605938  0.389846  0.344324  1
  Ni  Ni26  1  0.165242  0.045738  0.320125  1
  Ni  Ni27  1  0.922653  0.713159  0.335955  1
  Ni  Ni28  1  0.198256  0.611163  0.345259  1
  Ni  Ni29  1  0.695929  0.276935  0.314938  1
  Ni  Ni30  1  0.453245  0.943081  0.332333  1
  Ni  Ni31  1  0.926586  0.491636  0.354240  1
  Ni  Ni32  1  0.475025  0.153791  0.327430  1
  Ni  Ni33  1  0.228428  0.820035  0.343858  1
  Ni  Ni34  1  0.640689  0.601611  0.328893  1
  Ni  Ni35  1  0.296635  0.280245  0.335081  1
  Ni  Ni36  1  0.050049  0.944942  0.352976  1
  Ni  Ni37  1  0.214334  0.389384  0.368630  1
  Ni  Ni38  1  0.964183  0.054691  0.385575  1
  Ni  Ni39  1  0.712993  0.723488  0.402759  1
  Ni  Ni40  1  0.474217  0.512189  0.364496  1
  Ni  Ni41  1  0.183444  0.181111  0.373195  1
  Ni  Ni42  1  0.933746  0.848730  0.390758  1
  Ni  Ni43  1  0.805416  0.394679  0.391173  1
  Ni  Ni44  1  0.363383  0.055265  0.364217  1
  Ni  Ni45  1  0.112643  0.724886  0.380748  1
  Ni  Ni46  1  0.390523  0.623126  0.392129  1
  Ni  Ni47  1  0.898741  0.285513  0.359207  1
  Ni  Ni48  1  0.651571  0.951803  0.376585  1
  Ni  Ni49  1  0.139053  0.496833  0.401241  1
  Ni  Ni50  1  0.688829  0.159539  0.371644  1
  Ni  Ni51  1  0.441069  0.826612  0.388212  1
  Ni  Ni52  1  0.821728  0.614413  0.373855  1
  Ni  Ni53  1  0.505578  0.285093  0.382159  1
  Ni  Ni54  1  0.257601  0.951536  0.399677  1
  Ni  Ni55  1  0.418760  0.392822  0.415705  1
  Ni  Ni56  1  0.165661  0.060820  0.431917  1
  Ni  Ni57  1  0.911255  0.729791  0.449274  1
  Ni  Ni58  1  0.665481  0.518047  0.408709  1
  Ni  Ni59  1  0.382157  0.187011  0.419245  1
  Ni  Ni60  1  0.128821  0.855660  0.436980  1
  Ni  Ni61  1  1.006013  0.399713  0.437347  1
  Ni  Ni62  1  0.559527  0.062178  0.409241  1
  Ni  Ni63  1  0.304267  0.731969  0.426153  1
  Ni  Ni64  1  0.587191  0.628568  0.438436  1
  Ni  Ni65  1  0.098955  0.291269  0.404862  1
  Ni  Ni66  1  0.848581  0.958930  0.422269  1
  Ni  Ni67  1  0.343323  0.502159  0.447505  1
  Ni  Ni68  1  0.887721  0.164833  0.417340  1
  Ni  Ni69  1  0.633733  0.833386  0.434550  1
  Ni  Ni70  1  0.011498  0.620519  0.418757  1
  Ni  Ni71  1  0.710052  0.289260  0.428537  1
  Ni  Ni72  1  0.457567  0.957763  0.445750  1
  Ni  Ni73  1  0.621309  0.397602  0.461965  1
  Ni  Ni74  1  0.364678  0.066369  0.478108  1
  Ni  Ni75  1  0.110289  0.735510  0.495417  1
  Ni  Ni76  1  0.862975  0.523787  0.453739  1
  Ni  Ni77  1  0.580326  0.192381  0.465496  1
  Ni  Ni78  1  0.326301  0.861493  0.483050  1
  Ni  Ni79  1  0.205960  0.404962  0.483119  1
  Ni  Ni80  1  0.756237  0.068018  0.454804  1
  Ni  Ni81  1  0.500170  0.737404  0.471827  1
  Ni  Ni82  1  0.786614  0.634017  0.484449  1
  Ni  Ni83  1  0.299046  0.296092  0.450918  1
  Ni  Ni84  1  0.046307  0.965015  0.468220  1
  Ni  Ni85  1  0.545543  0.507564  0.493283  1
  Ni  Ni86  1  0.085057  0.170067  0.463332  1
  Ni  Ni87  1  0.830549  0.839150  0.480744  1
  Ni  Ni88  1  0.205405  0.626470  0.463861  1
  Ni  Ni89  1  0.910443  0.294272  0.474692  1
  Ni  Ni90  1  0.655500  0.963414  0.491754  1
  Ni  Ni91  1  0.822338  0.402914  0.507987  1
  Ni  Ni92  1  0.562646  0.071916  0.524216  1
  Ni  Ni93  1  0.309907  0.740839  0.541517  1
  Ni  Ni94  1  0.063409  0.529367  0.499153  1
  Ni  Ni95  1  0.778403  0.197781  0.511692  1
  Ni  Ni96  1  0.523895  0.866865  0.529103  1
  Ni  Ni97  1  0.403547  0.410461  0.528575  1
  Ni  Ni98  1  0.953453  0.073517  0.500681  1
  Ni  Ni99  1  0.698510  0.742659  0.517744  1
  Ni  Ni100  1  0.987643  0.639329  0.530471  1
  Ni  Ni101  1  0.498663  0.301422  0.497019  1
  Ni  Ni102  1  0.244274  0.970563  0.514328  1
  Ni  Ni103  1  0.745977  0.513144  0.538697  1
  Ni  Ni104  1  0.282651  0.175438  0.509386  1
  Ni  Ni105  1  0.028626  0.844550  0.526940  1
  Ni  Ni106  1  0.402992  0.631969  0.509316  1
  Ni  Ni107  1  0.108782  0.299527  0.520608  1
  Ni  Ni108  1  0.852715  0.968913  0.537631  1
  Ni  Ni109  1  0.021761  0.408364  0.553999  1
  Ni  Ni110  1  0.760372  0.078001  0.570167  1
  Ni  Ni111  1  0.509997  0.745662  0.587573  1
  Ni  Ni112  1  0.265629  0.534773  0.544930  1
  Ni  Ni113  1  0.975219  0.203545  0.557885  1
  Ni  Ni114  1  0.721231  0.872098  0.575096  1
  Ni  Ni115  1  0.597454  0.416412  0.573679  1
  Ni  Ni116  1  0.151385  0.079168  0.546686  1
  Ni  Ni117  1  0.898900  0.747671  0.563898  1
  Ni  Ni118  1  0.190193  0.644110  0.576731  1
  Ni  Ni119  1  0.697697  0.307140  0.543162  1
  Ni  Ni120  1  0.443292  0.976112  0.560518  1
  Ni  Ni121  1  0.943472  0.518884  0.583727  1
  Ni  Ni122  1  0.480131  0.181272  0.555456  1
  Ni  Ni123  1  0.226795  0.849920  0.573191  1
  Ni  Ni124  1  0.602939  0.637218  0.555089  1
  Ni  Ni125  1  0.304685  0.304962  0.566283  1
  Ni  Ni126  1  0.049426  0.974754  0.583195  1
  Ni  Ni127  1  0.218429  0.413805  0.600307  1
  Ni  Ni128  1  0.957381  0.085128  0.615850  1
  Ni  Ni129  1  0.710212  0.751419  0.633229  1
  Ni  Ni130  1  0.469899  0.540099  0.591194  1
  Ni  Ni131  1  0.167883  0.210319  0.604224  1
  Ni  Ni132  1  0.920123  0.877392  0.620792  1
  Ni  Ni133  1  0.787224  0.422518  0.618581  1
  Ni  Ni134  1  0.351351  0.085396  0.592758  1
  Ni  Ni135  1  0.103374  0.751838  0.610277  1
  Ni  Ni136  1  0.394618  0.647548  0.623805  1
  Ni  Ni137  1  0.895959  0.313443  0.589677  1
  Ni  Ni138  1  0.644769  0.982240  0.606861  1
  Ni  Ni139  1  0.134735  0.524742  0.627940  1
  Ni  Ni140  1  0.675207  0.188202  0.601678  1
  Ni  Ni141  1  0.425508  0.855820  0.619240  1
  Ni  Ni142  1  0.803536  0.642253  0.601263  1
  Ni  Ni143  1  0.496309  0.312045  0.611687  1
  Ni  Ni144  1  0.245570  0.981666  0.628219  1
  Ni  Ni145  1  0.410696  0.425768  0.647176  1
  Ni  Ni146  1  0.155707  0.093850  0.660103  1
  Ni  Ni147  1  0.913023  0.759997  0.677497  1
  Ni  Ni148  1  0.682367  0.545295  0.638196  1
  Ni  Ni149  1  0.380525  0.216896  0.648577  1
  Ni  Ni150  1  0.133927  0.883140  0.665006  1
  Ni  Ni151  1  0.968264  0.435320  0.663543  1
  Ni  Ni152  1  0.558903  0.091989  0.639460  1
  Ni  Ni153  1  0.312317  0.756687  0.657355  1
  Ni  Ni154  1  0.601939  0.655288  0.670964  1
  Ni  Ni155  1  0.096296  0.321046  0.637933  1
  Ni  Ni156  1  0.849066  0.987388  0.653685  1
  Ni  Ni157  1  0.322004  0.541472  0.671150  1
  Ni  Ni158  1  0.867459  0.198332  0.647800  1
  Ni  Ni159  1  0.624158  0.864073  0.664755  1
  Ni  Ni160  1  1.003015  0.647086  0.648112  1
  Ni  Ni161  1  0.686299  0.323772  0.656480  1
  Ni  Ni162  1  0.443711  0.991194  0.672311  1
  Ni  Ni163  1  0.596697  0.441889  0.694711  1
  Ni  Ni164  1  0.358127  0.101084  0.703742  1
  Ni  Ni165  1  0.113400  0.772344  0.721173  1
  Ni  Ni166  1  0.878522  0.555631  0.686057  1
  Ni  Ni167  1  0.598491  0.226621  0.692038  1
  Ni  Ni168  1  0.357996  0.892740  0.707309  1
  Ni  Ni169  1  0.137245  0.461144  0.707209  1
  Ni  Ni170  1  0.767993  0.101013  0.685116  1
  Ni  Ni171  1  0.521622  0.765792  0.702496  1
  Ni  Ni172  1  0.803432  0.668567  0.715090  1
  Ni  Ni173  1  0.300568  0.335302  0.683756  1
  Ni  Ni174  1  0.056810  0.995585  0.697868  1
  Ni  Ni175  1  0.501417  0.566152  0.714058  1
  Ni  Ni176  1  0.104506  0.209001  0.689996  1
  Ni  Ni177  1  0.852132  0.872202  0.707028  1
  Ni  Ni178  1  0.208272  0.658209  0.695724  1
  Ni  Ni179  1  0.887304  0.337376  0.699517  1
  Ni  Ni180  1  0.642301  0.997079  0.715632  1
  H  H181  1  0.105765  0.375426  0.278911  1
  H  H182  1  0.900826  0.094162  0.301874  1
  H  H183  1  0.276679  0.775511  0.285163  1
  H  H184  1  0.823204  0.535048  0.276835  1
  H  H185  1  0.419547  0.220581  0.298637  1
  H  H186  1  0.995632  0.886932  0.276708  1
  H  H187  1  0.309369  0.391276  0.332151  1
  H  H188  1  0.030456  0.102156  0.353466  1
  H  H189  1  0.670403  0.760919  0.317147  1
  H  H190  1  0.960125  0.547323  0.325843  1
  H  H191  1  0.587460  0.237215  0.348652  1
  H  H192  1  0.182011  0.886862  0.316448  1
  H  H193  1  0.490573  0.436517  0.384439  1
  H  H194  1  0.233963  0.109297  0.399163  1
  H  H195  1  0.781066  0.768524  0.370059  1
  H  H196  1  0.134877  0.562455  0.375640  1
  H  H197  1  0.823892  0.238475  0.392419  1
  H  H198  1  0.341526  0.903251  0.365802  1
  H  H199  1  0.690024  0.445400  0.430982  1
  H  H200  1  0.434151  0.115106  0.445064  1
  H  H201  1  0.981742  0.777673  0.416390  1
  H  H202  1  0.327221  0.571335  0.422901  1
  H  H203  1  0.029615  0.242671  0.438009  1
  H  H204  1  0.575175  0.905355  0.409572  1
  H  H205  1  0.889961  0.452031  0.476902  1
  H  H206  1  0.633057  0.120428  0.491102  1
  H  H207  1  0.179447  0.784015  0.462470  1
  H  H208  1  0.521044  0.578395  0.469493  1
  H  H209  1  0.230318  0.247526  0.483968  1
  H  H210  1  0.776682  0.911077  0.455355  1
  H  H211  1  0.087909  0.458536  0.522942  1
  H  H212  1  0.832270  0.125855  0.537081  1
  H  H213  1  0.378634  0.789405  0.508468  1
  H  H214  1  0.718991  0.584900  0.515533  1
  H  H215  1  0.429505  0.252917  0.529965  1
  H  H216  1  0.975896  0.916504  0.501334  1
  H  H217  1  0.281731  0.465596  0.569535  1
  H  H218  1  0.033778  0.131577  0.582864  1
  H  H219  1  0.579337  0.794260  0.554427  1
  H  H220  1  0.918928  0.591532  0.561453  1
  H  H221  1  0.627210  0.259258  0.576046  1
  H  H222  1  0.174801  0.921826  0.547372  1
  H  H223  1  0.474075  0.474477  0.616795  1
  H  H224  1  0.267426  0.133681  0.626634  1
  H  H225  1  0.785060  0.798456  0.600016  1
  H  H226  1  0.118380  0.600415  0.607997  1
  H  H227  1  0.827886  0.268407  0.622377  1
  H  H228  1  0.374989  0.927635  0.593273  1
  H  H229  1  0.648828  0.489608  0.666593  1
  H  H230  1  0.426941  0.150069  0.675988  1
  H  H231  1  0.021492  0.799717  0.643784  1
  H  H232  1  0.299584  0.645656  0.660284  1
  H  H233  1  0.938549  0.276012  0.675289  1
  H  H234  1  0.578496  0.934775  0.638970  1
  H  H235  1  0.785749  0.501883  0.715601  1
  H  H236  1  0.613320  0.149999  0.715728  1
  H  H237  1  0.189406  0.816350  0.693799  1
  H  H238  1  0.503188  0.661505  0.713525  1
  H  H239  1  0.332273  0.261421  0.707273  1
  H  H240  1  0.708126  0.942769  0.690562  1
