# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02500231
_cell_length_b   14.61399704
_cell_length_c   49.16673434
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.61996123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni162 H54'
_cell_volume   4258.25104673
_cell_formula_units_Z   54
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  0.657162  0.348245  0.283220  1
  Ni  Ni2  1  0.961295  0.997167  0.285930  1
  Ni  Ni3  1  0.312927  0.661623  0.307832  1
  Ni  Ni4  1  0.100726  0.307241  0.283890  1
  Ni  Ni5  1  0.394566  0.950558  0.285172  1
  Ni  Ni6  1  0.746483  0.624940  0.307287  1
  Ni  Ni7  1  0.844879  0.187304  0.288562  1
  Ni  Ni8  1  0.170611  0.845443  0.308005  1
  Ni  Ni9  1  0.523446  0.521924  0.285040  1
  Ni  Ni10  1  0.607460  0.063035  0.308042  1
  Ni  Ni11  1  0.965608  0.733525  0.284567  1
  Ni  Ni12  1  0.313640  0.409214  0.307852  1
  Ni  Ni13  1  0.193044  0.106912  0.308309  1
  Ni  Ni14  1  0.523136  0.768278  0.284478  1
  Ni  Ni15  1  0.885540  0.444419  0.307283  1
  Ni  Ni16  1  0.459089  0.230597  0.307179  1
  Ni  Ni17  1  0.750212  0.881010  0.308015  1
  Ni  Ni18  1  0.102437  0.551259  0.284787  1
  Ni  Ni19  1  0.675178  0.334669  0.332297  1
  Ni  Ni20  1  0.964080  0.992473  0.334181  1
  Ni  Ni21  1  0.312118  0.660256  0.358610  1
  Ni  Ni22  1  0.095497  0.278156  0.332278  1
  Ni  Ni23  1  0.392326  0.953430  0.333813  1
  Ni  Ni24  1  0.750605  0.622195  0.358551  1
  Ni  Ni25  1  0.822680  0.166558  0.335599  1
  Ni  Ni26  1  0.173674  0.845293  0.358687  1
  Ni  Ni27  1  0.529446  0.514103  0.334055  1
  Ni  Ni28  1  0.605316  0.059034  0.358621  1
  Ni  Ni29  1  0.962196  0.734520  0.333604  1
  Ni  Ni30  1  0.315223  0.401338  0.357956  1
  Ni  Ni31  1  0.186163  0.109713  0.358992  1
  Ni  Ni32  1  0.528605  0.773309  0.333538  1
  Ni  Ni33  1  0.887074  0.437669  0.358105  1
  Ni  Ni34  1  0.455836  0.225767  0.358276  1
  Ni  Ni35  1  0.749922  0.881811  0.358771  1
  Ni  Ni36  1  0.103069  0.550492  0.333906  1
  Ni  Ni37  1  0.667225  0.335266  0.383696  1
  Ni  Ni38  1  0.961865  0.992575  0.384632  1
  Ni  Ni39  1  0.311257  0.658556  0.409858  1
  Ni  Ni40  1  0.094305  0.283838  0.383739  1
  Ni  Ni41  1  0.393388  0.954819  0.384603  1
  Ni  Ni42  1  0.750926  0.621664  0.409800  1
  Ni  Ni43  1  0.822690  0.169673  0.385254  1
  Ni  Ni44  1  0.174550  0.846182  0.409976  1
  Ni  Ni45  1  0.528186  0.512599  0.384379  1
  Ni  Ni46  1  0.609636  0.058778  0.409985  1
  Ni  Ni47  1  0.965960  0.735204  0.384499  1
  Ni  Ni48  1  0.313914  0.401532  0.409417  1
  Ni  Ni49  1  0.183977  0.109856  0.410159  1
  Ni  Ni50  1  0.526319  0.772102  0.384491  1
  Ni  Ni51  1  0.883740  0.437657  0.409505  1
  Ni  Ni52  1  0.454258  0.224303  0.409622  1
  Ni  Ni53  1  0.749586  0.881011  0.410031  1
  Ni  Ni54  1  0.102978  0.547831  0.384374  1
  Ni  Ni55  1  0.665916  0.334633  0.434996  1
  Ni  Ni56  1  0.962927  0.991954  0.435676  1
  Ni  Ni57  1  0.310665  0.657956  0.460969  1
  Ni  Ni58  1  0.093514  0.283588  0.435021  1
  Ni  Ni59  1  0.393836  0.955564  0.435659  1
  Ni  Ni60  1  0.750579  0.621413  0.460920  1
  Ni  Ni61  1  0.822486  0.169427  0.435879  1
  Ni  Ni62  1  0.174996  0.845952  0.461104  1
  Ni  Ni63  1  0.527350  0.512323  0.435327  1
  Ni  Ni64  1  0.610681  0.058494  0.461223  1
  Ni  Ni65  1  0.966103  0.734994  0.435532  1
  Ni  Ni66  1  0.313334  0.401179  0.460653  1
  Ni  Ni67  1  0.183271  0.109445  0.461301  1
  Ni  Ni68  1  0.526016  0.771638  0.435552  1
  Ni  Ni69  1  0.882694  0.437268  0.460712  1
  Ni  Ni70  1  0.453968  0.223679  0.460755  1
  Ni  Ni71  1  0.749541  0.880689  0.461150  1
  Ni  Ni72  1  0.101841  0.547124  0.435366  1
  Ni  Ni73  1  0.665520  0.334209  0.486221  1
  Ni  Ni74  1  0.963131  0.991513  0.486811  1
  Ni  Ni75  1  0.310352  0.657594  0.512048  1
  Ni  Ni76  1  0.093266  0.283240  0.486203  1
  Ni  Ni77  1  0.393943  0.955364  0.486776  1
  Ni  Ni78  1  0.750366  0.621087  0.512012  1
  Ni  Ni79  1  0.822387  0.169083  0.486819  1
  Ni  Ni80  1  0.174928  0.845637  0.512206  1
  Ni  Ni81  1  0.526916  0.511990  0.486388  1
  Ni  Ni82  1  0.610767  0.058142  0.512420  1
  Ni  Ni83  1  0.965936  0.734758  0.486592  1
  Ni  Ni84  1  0.313156  0.400839  0.511830  1
  Ni  Ni85  1  0.183022  0.109111  0.512437  1
  Ni  Ni86  1  0.525922  0.771265  0.486629  1
  Ni  Ni87  1  0.882344  0.436988  0.511865  1
  Ni  Ni88  1  0.453900  0.223268  0.511822  1
  Ni  Ni89  1  0.749371  0.880362  0.512253  1
  Ni  Ni90  1  0.101360  0.546714  0.486435  1
  Ni  Ni91  1  0.665606  0.333858  0.537417  1
  Ni  Ni92  1  0.962954  0.991173  0.537988  1
  Ni  Ni93  1  0.310184  0.657357  0.563109  1
  Ni  Ni94  1  0.093017  0.282907  0.537340  1
  Ni  Ni95  1  0.393593  0.955083  0.537929  1
  Ni  Ni96  1  0.750272  0.620713  0.563089  1
  Ni  Ni97  1  0.822319  0.168673  0.537886  1
  Ni  Ni98  1  0.174446  0.845227  0.563275  1
  Ni  Ni99  1  0.526746  0.511663  0.537491  1
  Ni  Ni100  1  0.610371  0.057718  0.563645  1
  Ni  Ni101  1  0.965623  0.734396  0.537672  1
  Ni  Ni102  1  0.313360  0.400398  0.562965  1
  Ni  Ni103  1  0.182773  0.108764  0.563620  1
  Ni  Ni104  1  0.525709  0.770939  0.537720  1
  Ni  Ni105  1  0.882452  0.436787  0.562981  1
  Ni  Ni106  1  0.453801  0.222924  0.562762  1
  Ni  Ni107  1  0.748937  0.880029  0.563314  1
  Ni  Ni108  1  0.101291  0.546400  0.537537  1
  Ni  Ni109  1  0.666651  0.333574  0.588656  1
  Ni  Ni110  1  0.962374  0.990819  0.589224  1
  Ni  Ni111  1  0.310327  0.657147  0.614142  1
  Ni  Ni112  1  0.092310  0.282496  0.588482  1
  Ni  Ni113  1  0.392547  0.954694  0.589136  1
  Ni  Ni114  1  0.749968  0.620250  0.614150  1
  Ni  Ni115  1  0.822029  0.168048  0.589019  1
  Ni  Ni116  1  0.173310  0.844521  0.614266  1
  Ni  Ni117  1  0.526701  0.511340  0.588610  1
  Ni  Ni118  1  0.609063  0.057085  0.614945  1
  Ni  Ni119  1  0.965030  0.733795  0.588783  1
  Ni  Ni120  1  0.314422  0.399777  0.614008  1
  Ni  Ni121  1  0.181982  0.108514  0.614901  1
  Ni  Ni122  1  0.525361  0.770687  0.588841  1
  Ni  Ni123  1  0.882899  0.437533  0.614038  1
  Ni  Ni124  1  0.453597  0.222679  0.613387  1
  Ni  Ni125  1  0.748102  0.879752  0.614261  1
  Ni  Ni126  1  0.101738  0.546169  0.588665  1
  Ni  Ni127  1  0.670971  0.333317  0.640020  1
  Ni  Ni128  1  0.961064  0.991014  0.640685  1
  Ni  Ni129  1  0.314091  0.657831  0.665037  1
  Ni  Ni130  1  0.090124  0.282639  0.639649  1
  Ni  Ni131  1  0.389213  0.954682  0.640536  1
  Ni  Ni132  1  0.747682  0.619042  0.665103  1
  Ni  Ni133  1  0.820451  0.166585  0.640365  1
  Ni  Ni134  1  0.173218  0.841859  0.664735  1
  Ni  Ni135  1  0.526365  0.510540  0.639870  1
  Ni  Ni136  1  0.601109  0.057683  0.666343  1
  Ni  Ni137  1  0.964169  0.732096  0.640031  1
  Ni  Ni138  1  0.312208  0.399879  0.664460  1
  Ni  Ni139  1  0.180790  0.114196  0.666363  1
  Ni  Ni140  1  0.525682  0.770157  0.640090  1
  Ni  Ni141  1  0.883961  0.438922  0.664828  1
  Ni  Ni142  1  0.453607  0.225794  0.663042  1
  Ni  Ni143  1  0.746842  0.878249  0.664586  1
  Ni  Ni144  1  0.102614  0.547058  0.639954  1
  Ni  Ni145  1  0.668828  0.329316  0.690599  1
  Ni  Ni146  1  0.962647  0.983138  0.690789  1
  Ni  Ni147  1  0.310679  0.658827  0.714073  1
  Ni  Ni148  1  0.083243  0.285440  0.690332  1
  Ni  Ni149  1  0.390748  0.947933  0.691358  1
  Ni  Ni150  1  0.753151  0.624073  0.714162  1
  Ni  Ni151  1  0.817198  0.161754  0.691462  1
  Ni  Ni152  1  0.173850  0.841093  0.713854  1
  Ni  Ni153  1  0.526075  0.511342  0.690626  1
  Ni  Ni154  1  0.619125  0.044106  0.715420  1
  Ni  Ni155  1  0.963360  0.730729  0.690809  1
  Ni  Ni156  1  0.314992  0.395185  0.712711  1
  Ni  Ni157  1  0.175561  0.085111  0.714751  1
  Ni  Ni158  1  0.529804  0.767412  0.691354  1
  Ni  Ni159  1  0.881721  0.441794  0.713469  1
  Ni  Ni160  1  0.431408  0.205048  0.710078  1
  Ni  Ni161  1  0.752841  0.870427  0.713601  1
  Ni  Ni162  1  0.105676  0.546908  0.690636  1
  H  H163  1  0.878699  0.304238  0.301302  1
  H  H164  1  0.177294  0.976532  0.305138  1
  H  H165  1  0.523807  0.643113  0.280476  1
  H  H166  1  0.413201  0.060067  0.280824  1
  H  H167  1  0.745694  0.755578  0.303723  1
  H  H168  1  0.101619  0.428438  0.280404  1
  H  H169  1  0.873821  0.274887  0.358260  1
  H  H170  1  0.180070  0.979998  0.359061  1
  H  H171  1  0.531573  0.643230  0.332561  1
  H  H172  1  0.380616  0.146771  0.331383  1
  H  H173  1  0.747020  0.753153  0.358854  1
  H  H174  1  0.097475  0.410847  0.332249  1
  H  H175  1  0.871811  0.275838  0.409601  1
  H  H176  1  0.179161  0.980438  0.410130  1
  H  H177  1  0.529929  0.641195  0.384227  1
  H  H178  1  0.406195  0.122727  0.384101  1
  H  H179  1  0.747376  0.752366  0.410021  1
  H  H180  1  0.099064  0.413409  0.383758  1
  H  H181  1  0.871140  0.274896  0.460774  1
  H  H182  1  0.179551  0.979995  0.461236  1
  H  H183  1  0.529551  0.640902  0.435394  1
  H  H184  1  0.405603  0.118960  0.435530  1
  H  H185  1  0.747259  0.752084  0.461075  1
  H  H186  1  0.097335  0.413043  0.435055  1
  H  H187  1  0.870879  0.274226  0.511925  1
  H  H188  1  0.179494  0.979660  0.512386  1
  H  H189  1  0.529215  0.640592  0.486492  1
  H  H190  1  0.405408  0.118126  0.486715  1
  H  H191  1  0.747072  0.751760  0.512149  1
  H  H192  1  0.096793  0.412692  0.486255  1
  H  H193  1  0.870684  0.273392  0.563111  1
  H  H194  1  0.178952  0.979309  0.563586  1
  H  H195  1  0.529029  0.640267  0.537566  1
  H  H196  1  0.405147  0.117455  0.537867  1
  H  H197  1  0.746736  0.751450  0.563247  1
  H  H198  1  0.096736  0.412356  0.537405  1
  H  H199  1  0.870092  0.269625  0.614540  1
  H  H200  1  0.177224  0.978943  0.614883  1
  H  H201  1  0.528912  0.639986  0.588620  1
  H  H202  1  0.404476  0.116514  0.589040  1
  H  H203  1  0.746358  0.751156  0.614414  1
  H  H204  1  0.097127  0.411914  0.588511  1
  H  H205  1  0.895671  0.245581  0.667258  1
  H  H206  1  0.178812  0.981505  0.666392  1
  H  H207  1  0.529268  0.639198  0.639787  1
  H  H208  1  0.402467  0.117464  0.640380  1
  H  H209  1  0.744714  0.749122  0.666080  1
  H  H210  1  0.096217  0.412353  0.639580  1
  H  H211  1  0.863086  0.332284  0.717817  1
  H  H212  1  0.174668  0.963914  0.718237  1
  H  H213  1  0.530594  0.636774  0.694917  1
  H  H214  1  0.397588  0.088114  0.697339  1
  H  H215  1  0.752481  0.749239  0.718165  1
  H  H216  1  0.098994  0.415820  0.693503  1
