# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38121794
_cell_length_b   18.28141402
_cell_length_c   48.07447567
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.73885705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni180 H60'
_cell_volume   4680.31307088
_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  0.469691  0.102895  0.282486  1
  Ni  Ni2  1  0.026900  0.427465  0.300119  1
  Ni  Ni3  1  0.856104  0.778526  0.277716  1
  Ni  Ni4  1  0.765070  0.980122  0.287225  1
  Ni  Ni5  1  0.320034  0.310647  0.296699  1
  Ni  Ni6  1  0.136291  0.655062  0.280959  1
  Ni  Ni7  1  1.001129  0.108161  0.270147  1
  Ni  Ni8  1  0.579019  0.419552  0.296614  1
  Ni  Ni9  1  0.274264  0.767275  0.296739  1
  Ni  Ni10  1  0.518429  0.872955  0.291318  1
  Ni  Ni11  1  0.246399  0.214406  0.261670  1
  Ni  Ni12  1  0.740427  0.545303  0.293131  1
  Ni  Ni13  1  0.239182  0.995545  0.291681  1
  Ni  Ni14  1  0.920985  0.318222  0.273810  1
  Ni  Ni15  1  0.635951  0.674138  0.281718  1
  Ni  Ni16  1  0.097773  0.882729  0.274250  1
  Ni  Ni17  1  0.678074  0.215074  0.276908  1
  Ni  Ni18  1  0.262694  0.534405  0.298826  1
  Ni  Ni19  1  0.275863  0.084596  0.329542  1
  Ni  Ni20  1  0.812441  0.399482  0.346659  1
  Ni  Ni21  1  0.667661  0.755530  0.322258  1
  Ni  Ni22  1  0.557195  0.956462  0.331929  1
  Ni  Ni23  1  0.125175  0.284364  0.344233  1
  Ni  Ni24  1  0.918209  0.631416  0.323624  1
  Ni  Ni25  1  0.821676  0.085489  0.314716  1
  Ni  Ni26  1  0.342750  0.398471  0.337538  1
  Ni  Ni27  1  0.081807  0.742359  0.341644  1
  Ni  Ni28  1  0.325622  0.848945  0.338276  1
  Ni  Ni29  1  0.073543  0.197485  0.305282  1
  Ni  Ni30  1  0.561127  0.516021  0.336690  1
  Ni  Ni31  1  0.043497  0.973486  0.337864  1
  Ni  Ni32  1  0.739693  0.298320  0.316577  1
  Ni  Ni33  1  0.425315  0.645819  0.322819  1
  Ni  Ni34  1  0.913675  0.861696  0.318009  1
  Ni  Ni35  1  0.488508  0.194187  0.323040  1
  Ni  Ni36  1  0.035647  0.509472  0.342670  1
  Ni  Ni37  1  0.107082  0.059774  0.377147  1
  Ni  Ni38  1  0.625900  0.376239  0.396265  1
  Ni  Ni39  1  0.483235  0.729126  0.366881  1
  Ni  Ni40  1  0.373835  0.929830  0.378962  1
  Ni  Ni41  1  0.944866  0.254553  0.391985  1
  Ni  Ni42  1  0.716925  0.605058  0.369403  1
  Ni  Ni43  1  0.645747  0.058310  0.361315  1
  Ni  Ni44  1  0.165071  0.371764  0.383382  1
  Ni  Ni45  1  0.891400  0.716376  0.389248  1
  Ni  Ni46  1  0.142187  0.820398  0.385819  1
  Ni  Ni47  1  0.883295  0.172440  0.352300  1
  Ni  Ni48  1  0.366693  0.490532  0.379793  1
  Ni  Ni49  1  0.871200  0.947071  0.385728  1
  Ni  Ni50  1  0.560306  0.286867  0.360737  1
  Ni  Ni51  1  0.220472  0.622133  0.367350  1
  Ni  Ni52  1  0.734736  0.837586  0.363457  1
  Ni  Ni53  1  0.332769  0.170969  0.369794  1
  Ni  Ni54  1  0.853918  0.482823  0.389722  1
  Ni  Ni55  1  0.951213  0.029843  0.424950  1
  Ni  Ni56  1  0.456339  0.348520  0.444023  1
  Ni  Ni57  1  0.304573  0.700124  0.412538  1
  Ni  Ni58  1  0.203103  0.899518  0.427365  1
  Ni  Ni59  1  0.781805  0.225544  0.439241  1
  Ni  Ni60  1  0.530738  0.574784  0.416051  1
  Ni  Ni61  1  0.483220  0.028826  0.408555  1
  Ni  Ni62  1  0.004462  0.343597  0.429693  1
  Ni  Ni63  1  0.705235  0.688187  0.436424  1
  Ni  Ni64  1  0.961051  0.791575  0.433679  1
  Ni  Ni65  1  0.721306  0.138930  0.400608  1
  Ni  Ni66  1  0.207980  0.463710  0.424971  1
  Ni  Ni67  1  0.706408  0.917176  0.433069  1
  Ni  Ni68  1  0.403026  0.259873  0.406662  1
  Ni  Ni69  1  0.032680  0.594843  0.413511  1
  Ni  Ni70  1  0.555633  0.809764  0.409654  1
  Ni  Ni71  1  0.176720  0.142926  0.416883  1
  Ni  Ni72  1  0.692085  0.455034  0.437726  1
  Ni  Ni73  1  0.795572  1.001170  0.471586  1
  Ni  Ni74  1  0.300766  0.319317  0.491503  1
  Ni  Ni75  1  0.124257  0.669639  0.458688  1
  Ni  Ni76  1  0.028396  0.870723  0.477289  1
  Ni  Ni77  1  0.624913  0.197082  0.486442  1
  Ni  Ni78  1  0.358274  0.544413  0.463024  1
  Ni  Ni79  1  0.328173  1.000955  0.455487  1
  Ni  Ni80  1  0.846730  0.314496  0.476043  1
  Ni  Ni81  1  0.524647  0.656064  0.483603  1
  Ni  Ni82  1  0.778144  0.761572  0.480954  1
  Ni  Ni83  1  0.562228  0.110410  0.448059  1
  Ni  Ni84  1  0.056621  0.433591  0.470269  1
  Ni  Ni85  1  0.533027  0.886241  0.478617  1
  Ni  Ni86  1  0.244270  0.232202  0.453459  1
  Ni  Ni87  1  0.856627  0.565320  0.460888  1
  Ni  Ni88  1  0.370050  0.778927  0.456790  1
  Ni  Ni89  1  0.021824  0.114644  0.464080  1
  Ni  Ni90  1  0.533513  0.425585  0.484816  1
  Ni  Ni91  1  0.656779  0.967291  0.516828  1
  Ni  Ni92  1  0.151172  0.290473  0.539038  1
  Ni  Ni93  1  0.935256  0.639310  0.506143  1
  Ni  Ni94  1  0.856773  0.835563  0.526208  1
  Ni  Ni95  1  0.469130  0.168681  0.533637  1
  Ni  Ni96  1  0.180372  0.514641  0.508480  1
  Ni  Ni97  1  0.179887  0.975298  0.502281  1
  Ni  Ni98  1  0.691576  0.286238  0.523017  1
  Ni  Ni99  1  0.343350  0.621955  0.530306  1
  Ni  Ni100  1  0.589143  0.731243  0.528409  1
  Ni  Ni101  1  0.412634  0.081565  0.495594  1
  Ni  Ni102  1  0.917828  0.399713  0.515511  1
  Ni  Ni103  1  0.355126  0.856469  0.524073  1
  Ni  Ni104  1  0.088487  0.203801  0.500654  1
  Ni  Ni105  1  0.685004  0.530159  0.509807  1
  Ni  Ni106  1  0.188753  0.744818  0.503493  1
  Ni  Ni107  1  0.866670  0.086387  0.511054  1
  Ni  Ni108  1  0.385227  0.399927  0.531610  1
  Ni  Ni109  1  0.505420  0.937172  0.562126  1
  Ni  Ni110  1  0.992093  0.261952  0.586489  1
  Ni  Ni111  1  0.752349  0.609308  0.553418  1
  Ni  Ni112  1  0.680720  0.806039  0.573586  1
  Ni  Ni113  1  0.310374  0.141009  0.580435  1
  Ni  Ni114  1  0.006992  0.483706  0.554028  1
  Ni  Ni115  1  0.021315  0.945848  0.549370  1
  Ni  Ni116  1  0.536680  0.257957  0.570213  1
  Ni  Ni117  1  0.157767  0.591119  0.577443  1
  Ni  Ni118  1  0.408827  0.700759  0.574558  1
  Ni  Ni119  1  0.257061  0.052363  0.543074  1
  Ni  Ni120  1  0.762187  0.371039  0.562147  1
  Ni  Ni121  1  0.182662  0.826098  0.571045  1
  Ni  Ni122  1  0.931595  0.175338  0.547856  1
  Ni  Ni123  1  0.510297  0.501365  0.559732  1
  Ni  Ni124  1  0.008165  0.712695  0.550673  1
  Ni  Ni125  1  0.708938  0.057285  0.557403  1
  Ni  Ni126  1  0.230180  0.372056  0.578542  1
  Ni  Ni127  1  0.346707  0.910350  0.607304  1
  Ni  Ni128  1  0.830105  0.228442  0.634797  1
  Ni  Ni129  1  0.571213  0.580484  0.601277  1
  Ni  Ni130  1  0.492928  0.778750  0.619747  1
  Ni  Ni131  1  0.153094  0.114015  0.626360  1
  Ni  Ni132  1  0.842200  0.453812  0.601369  1
  Ni  Ni133  1  0.859482  0.918059  0.597375  1
  Ni  Ni134  1  0.380631  0.229914  0.617303  1
  Ni  Ni135  1  0.978664  0.563296  0.623640  1
  Ni  Ni136  1  0.230165  0.671756  0.620215  1
  Ni  Ni137  1  0.087500  0.024644  0.590831  1
  Ni  Ni138  1  0.606318  0.341108  0.609950  1
  Ni  Ni139  1  0.996475  0.795824  0.617694  1
  Ni  Ni140  1  0.768534  0.146330  0.595112  1
  Ni  Ni141  1  0.339565  0.471052  0.608135  1
  Ni  Ni142  1  0.822000  0.684507  0.597848  1
  Ni  Ni143  1  0.548329  0.029118  0.603715  1
  Ni  Ni144  1  0.067653  0.342573  0.625782  1
  Ni  Ni145  1  0.152273  0.884862  0.650407  1
  Ni  Ni146  1  0.639857  0.203398  0.681815  1
  Ni  Ni147  1  0.387778  0.551937  0.648820  1
  Ni  Ni148  1  0.288085  0.755064  0.664278  1
  Ni  Ni149  1  0.973706  0.102563  0.670519  1
  Ni  Ni150  1  0.669903  0.427396  0.649233  1
  Ni  Ni151  1  0.677753  0.891410  0.644426  1
  Ni  Ni152  1  0.224892  0.206696  0.664057  1
  Ni  Ni153  1  0.799725  0.539186  0.669088  1
  Ni  Ni154  1  0.045739  0.645352  0.664838  1
  Ni  Ni155  1  0.900959  1.001401  0.640438  1
  Ni  Ni156  1  0.437537  0.316286  0.657555  1
  Ni  Ni157  1  0.795191  0.769467  0.663472  1
  Ni  Ni158  1  0.588225  0.116519  0.642863  1
  Ni  Ni159  1  0.156205  0.444421  0.655167  1
  Ni  Ni160  1  0.631593  0.658523  0.645453  1
  Ni  Ni161  1  0.370650  1.002412  0.649558  1
  Ni  Ni162  1  0.891724  0.315393  0.672380  1
  Ni  Ni163  1  0.972973  0.855579  0.693965  1
  Ni  Ni164  1  0.467001  0.186476  0.725426  1
  Ni  Ni165  1  0.194971  0.527928  0.695779  1
  Ni  Ni166  1  0.077449  0.726744  0.705379  1
  Ni  Ni167  1  0.792415  0.082660  0.713287  1
  Ni  Ni168  1  0.474218  0.405338  0.695416  1
  Ni  Ni169  1  0.450706  0.866478  0.688270  1
  Ni  Ni170  1  0.035326  0.185808  0.710189  1
  Ni  Ni171  1  0.615627  0.518153  0.712846  1
  Ni  Ni172  1  0.857296  0.622357  0.709380  1
  Ni  Ni173  1  0.686500  0.973418  0.686977  1
  Ni  Ni174  1  0.243709  0.297988  0.704611  1
  Ni  Ni175  1  0.577109  0.745820  0.706137  1
  Ni  Ni176  1  0.393366  0.090235  0.690398  1
  Ni  Ni177  1  0.948330  0.420761  0.699872  1
  Ni  Ni178  1  0.439136  0.633608  0.690357  1
  Ni  Ni179  1  0.134381  0.981330  0.690482  1
  Ni  Ni180  1  0.712271  0.292721  0.716950  1
  H  H181  1  0.767419  0.062409  0.270861  1
  H  H182  1  0.124507  0.374116  0.268620  1
  H  H183  1  0.946413  0.712407  0.300332  1
  H  H184  1  0.324677  0.923737  0.262165  1
  H  H185  1  0.957299  0.212398  0.263218  1
  H  H186  1  0.444641  0.604993  0.284075  1
  H  H187  1  0.520689  0.030157  0.305541  1
  H  H188  1  0.028173  0.346431  0.315777  1
  H  H189  1  0.835676  0.687941  0.353708  1
  H  H190  1  0.220682  0.912016  0.309100  1
  H  H191  1  0.781112  0.190086  0.313207  1
  H  H192  1  0.238339  0.575732  0.331949  1
  H  H193  1  0.340834  0.009128  0.354590  1
  H  H194  1  0.871543  0.329334  0.370378  1
  H  H195  1  0.651348  0.658320  0.400494  1
  H  H196  1  0.042377  0.889211  0.357939  1
  H  H197  1  0.645007  0.210736  0.379267  1
  H  H198  1  0.041646  0.551404  0.378275  1
  H  H199  1  0.172261  0.980355  0.402295  1
  H  H200  1  0.704688  0.302808  0.418497  1
  H  H201  1  0.473085  0.628038  0.447165  1
  H  H202  1  0.859965  0.860291  0.404700  1
  H  H203  1  0.480414  0.183669  0.426660  1
  H  H204  1  0.867264  0.523661  0.425158  1
  H  H205  1  0.013226  0.949177  0.450837  1
  H  H206  1  0.545279  0.274149  0.465718  1
  H  H207  1  0.243774  0.614505  0.492277  1
  H  H208  1  0.651022  0.817458  0.448076  1
  H  H209  1  0.322620  0.155576  0.474030  1
  H  H210  1  0.704075  0.494282  0.473382  1
  H  H211  1  0.009325  0.906600  0.513715  1
  H  H212  1  0.390780  0.245307  0.513067  1
  H  H213  1  0.062378  0.583424  0.539021  1
  H  H214  1  0.469626  0.786377  0.494820  1
  H  H215  1  0.168121  0.126733  0.521379  1
  H  H216  1  0.700174  0.451705  0.536259  1
  H  H217  1  0.846136  0.877221  0.561938  1
  H  H218  1  0.232986  0.217213  0.560436  1
  H  H219  1  0.853435  0.540591  0.582397  1
  H  H220  1  0.240315  0.772844  0.539932  1
  H  H221  1  0.008712  0.098075  0.568599  1
  H  H222  1  0.541139  0.420527  0.584802  1
  H  H223  1  0.671754  0.849478  0.608822  1
  H  H224  1  0.068393  0.190146  0.607830  1
  H  H225  1  0.671023  0.511671  0.629158  1
  H  H226  1  0.062052  0.742562  0.586602  1
  H  H227  1  0.841857  0.071548  0.616719  1
  H  H228  1  0.372566  0.391754  0.632506  1
  H  H229  1  0.475061  0.825151  0.655147  1
  H  H230  1  0.932288  0.210796  0.673889  1
  H  H231  1  0.492718  0.488867  0.677996  1
  H  H232  1  0.877724  0.712941  0.633389  1
  H  H233  1  0.685227  0.054452  0.671320  1
  H  H234  1  0.192711  0.370726  0.681556  1
  H  H235  1  0.268759  0.795890  0.703022  1
  H  H236  1  0.756101  0.188484  0.723878  1
  H  H237  1  0.388723  0.477145  0.724931  1
  H  H238  1  0.766987  0.688475  0.686764  1
  H  H239  1  0.588893  0.026766  0.718477  1
  H  H240  1  0.945981  0.338474  0.716236  1
