# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47818963
_cell_length_b   22.06163765
_cell_length_c   50.90183764
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.98750686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni108 H36'
_cell_volume   2782.9521144
_cell_formula_units_Z   36
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  0.739260  0.616694  0.259066  1
  Ni  Ni2  1  0.739842  0.232050  0.282107  1
  Ni  Ni3  1  0.739658  0.858663  0.308258  1
  Ni  Ni4  1  0.739957  0.721440  0.269844  1
  Ni  Ni5  1  0.739834  0.341060  0.292788  1
  Ni  Ni6  1  0.739907  0.967723  0.316026  1
  Ni  Ni7  1  0.739892  0.543485  0.293264  1
  Ni  Ni8  1  0.739823  0.166553  0.320430  1
  Ni  Ni9  1  0.739825  0.920286  0.269854  1
  Ni  Ni10  1  0.239814  0.759663  0.307382  1
  Ni  Ni11  1  0.239779  0.381355  0.330484  1
  Ni  Ni12  1  0.239930  0.131433  0.280079  1
  Ni  Ni13  1  0.239640  0.643202  0.300015  1
  Ni  Ni14  1  0.239796  0.265660  0.322898  1
  Ni  Ni15  1  0.239691  0.016873  0.277498  1
  Ni  Ni16  1  0.239865  0.822053  0.268307  1
  Ni  Ni17  1  0.239860  0.444220  0.290531  1
  Ni  Ni18  1  0.239888  0.068830  0.318449  1
  Ni  Ni19  1  0.739647  0.479776  0.331630  1
  Ni  Ni20  1  0.739723  0.100715  0.359605  1
  Ni  Ni21  1  0.739744  0.722350  0.385626  1
  Ni  Ni22  1  0.739896  0.589835  0.339894  1
  Ni  Ni23  1  0.740049  0.211834  0.365466  1
  Ni  Ni24  1  0.739937  0.833818  0.393099  1
  Ni  Ni25  1  0.739754  0.411898  0.371362  1
  Ni  Ni26  1  0.739707  0.032429  0.398277  1
  Ni  Ni27  1  0.739742  0.791167  0.347914  1
  Ni  Ni28  1  0.239868  0.622008  0.381934  1
  Ni  Ni29  1  0.239966  0.243665  0.406841  1
  Ni  Ni30  1  0.239828  1.001106  0.357100  1
  Ni  Ni31  1  0.239632  0.511173  0.373657  1
  Ni  Ni32  1  0.239587  0.132681  0.401174  1
  Ni  Ni33  1  0.239625  0.890530  0.350087  1
  Ni  Ni34  1  0.239832  0.690836  0.344107  1
  Ni  Ni35  1  0.239897  0.312058  0.367676  1
  Ni  Ni36  1  0.239815  0.933782  0.395957  1
  Ni  Ni37  1  0.739812  0.343251  0.409427  1
  Ni  Ni38  1  0.739694  0.964943  0.437368  1
  Ni  Ni39  1  0.739871  0.585661  0.461443  1
  Ni  Ni40  1  0.740086  0.454271  0.416744  1
  Ni  Ni41  1  0.740109  0.075821  0.443483  1
  Ni  Ni42  1  0.740010  0.696994  0.469370  1
  Ni  Ni43  1  0.739851  0.274376  0.448167  1
  Ni  Ni44  1  0.739750  0.896041  0.475856  1
  Ni  Ni45  1  0.739806  0.653756  0.423697  1
  Ni  Ni46  1  0.240026  0.485699  0.458284  1
  Ni  Ni47  1  0.239993  0.106763  0.485057  1
  Ni  Ni48  1  0.239849  0.865095  0.434549  1
  Ni  Ni49  1  0.239734  0.374546  0.451342  1
  Ni  Ni50  1  0.239590  0.996121  0.479092  1
  Ni  Ni51  1  0.239684  0.753984  0.427474  1
  Ni  Ni52  1  0.239933  0.554069  0.419709  1
  Ni  Ni53  1  0.239971  0.176032  0.446391  1
  Ni  Ni54  1  0.239885  0.797160  0.473045  1
  Ni  Ni55  1  0.739839  0.206637  0.487632  1
  Ni  Ni56  1  0.739806  0.827701  0.514405  1
  Ni  Ni57  1  0.739983  0.448305  0.538140  1
  Ni  Ni58  1  0.740242  0.317279  0.493597  1
  Ni  Ni59  1  0.740098  0.938854  0.521347  1
  Ni  Ni60  1  0.740148  0.559415  0.545215  1
  Ni  Ni61  1  0.739861  0.137368  0.526298  1
  Ni  Ni62  1  0.739899  0.759330  0.552980  1
  Ni  Ni63  1  0.739947  0.516240  0.499644  1
  Ni  Ni64  1  0.240138  0.348457  0.535321  1
  Ni  Ni65  1  0.240021  0.970148  0.563263  1
  Ni  Ni66  1  0.239961  0.727739  0.511246  1
  Ni  Ni67  1  0.239723  0.237578  0.529206  1
  Ni  Ni68  1  0.239746  0.859129  0.555945  1
  Ni  Ni69  1  0.239822  0.616406  0.503319  1
  Ni  Ni70  1  0.240082  0.417358  0.496833  1
  Ni  Ni71  1  0.239981  0.039023  0.524523  1
  Ni  Ni72  1  0.240026  0.659644  0.548992  1
  Ni  Ni73  1  0.739866  0.069734  0.565848  1
  Ni  Ni74  1  0.739964  0.691392  0.590755  1
  Ni  Ni75  1  0.740004  0.312294  0.615590  1
  Ni  Ni76  1  0.740245  0.180719  0.571515  1
  Ni  Ni77  1  0.740200  0.802226  0.599032  1
  Ni  Ni78  1  0.740207  0.422869  0.622602  1
  Ni  Ni79  1  0.739935  1.001342  0.605013  1
  Ni  Ni80  1  0.740000  0.622564  0.628582  1
  Ni  Ni81  1  0.740017  0.379618  0.576732  1
  Ni  Ni82  1  0.240109  0.212684  0.613085  1
  Ni  Ni83  1  0.240185  0.833624  0.641059  1
  Ni  Ni84  1  0.240088  0.591050  0.587063  1
  Ni  Ni85  1  0.239783  0.101565  0.607223  1
  Ni  Ni86  1  0.239936  0.723565  0.632795  1
  Ni  Ni87  1  0.239895  0.479582  0.579590  1
  Ni  Ni88  1  0.240125  0.280970  0.574412  1
  Ni  Ni89  1  0.240078  0.901502  0.601327  1
  Ni  Ni90  1  0.240090  0.522232  0.624775  1
  Ni  Ni91  1  0.740053  0.932044  0.642205  1
  Ni  Ni92  1  0.740018  0.553736  0.665308  1
  Ni  Ni93  1  0.739902  0.181967  0.692610  1
  Ni  Ni94  1  0.740036  0.047739  0.649792  1
  Ni  Ni95  1  0.740192  0.670197  0.672675  1
  Ni  Ni96  1  0.740141  0.296527  0.695191  1
  Ni  Ni97  1  0.739972  0.869179  0.682158  1
  Ni  Ni98  1  0.739967  0.491347  0.704382  1
  Ni  Ni99  1  0.739944  0.244569  0.654240  1
  Ni  Ni100  1  0.239991  0.081350  0.690583  1
  Ni  Ni101  1  0.240573  0.696705  0.713624  1
  Ni  Ni102  1  0.240174  0.454737  0.664432  1
  Ni  Ni103  1  0.239998  0.972339  0.679901  1
  Ni  Ni104  1  0.239875  0.591959  0.702846  1
  Ni  Ni105  1  0.239926  0.345676  0.656663  1
  Ni  Ni106  1  0.240009  0.146847  0.652259  1
  Ni  Ni107  1  0.239940  0.769915  0.679425  1
  Ni  Ni108  1  0.240007  0.393114  0.702835  1
  H  H109  1  0.239837  0.549320  0.318952  1
  H  H110  1  0.239820  0.286874  0.282583  1
  H  H111  1  0.239821  0.929909  0.293175  1
  H  H112  1  0.739762  0.698410  0.312168  1
  H  H113  1  0.739862  0.440342  0.261714  1
  H  H114  1  0.739821  0.073884  0.283121  1
  H  H115  1  0.239878  0.402497  0.398901  1
  H  H116  1  0.239849  0.156988  0.347599  1
  H  H117  1  0.239806  0.782637  0.375692  1
  H  H118  1  0.739811  0.560688  0.391621  1
  H  H119  1  0.739815  0.320032  0.335616  1
  H  H120  1  0.739769  0.944227  0.369018  1
  H  H121  1  0.239951  0.261930  0.474847  1
  H  H122  1  0.239813  0.021035  0.425133  1
  H  H123  1  0.239895  0.646851  0.451708  1
  H  H124  1  0.739964  0.428440  0.469839  1
  H  H125  1  0.739867  0.188490  0.419722  1
  H  H126  1  0.739816  0.807475  0.445924  1
  H  H127  1  0.239965  0.124909  0.552967  1
  H  H128  1  0.239868  0.884959  0.502850  1
  H  H129  1  0.240017  0.505924  0.526765  1
  H  H130  1  0.740019  0.292365  0.547557  1
  H  H131  1  0.739881  0.051470  0.497842  1
  H  H132  1  0.739937  0.666549  0.520981  1
  H  H133  1  0.240017  0.993368  0.637073  1
  H  H134  1  0.240021  0.752711  0.581069  1
  H  H135  1  0.240063  0.369172  0.603671  1
  H  H136  1  0.739983  0.156412  0.625090  1
  H  H137  1  0.739954  0.910902  0.573788  1
  H  H138  1  0.740026  0.530763  0.596997  1
  H  H139  1  0.239970  0.873058  0.710975  1
  H  H140  1  0.240070  0.614990  0.660521  1
  H  H141  1  0.240011  0.239515  0.689569  1
  H  H142  1  0.740012  0.026525  0.690106  1
  H  H143  1  0.739995  0.764079  0.653737  1
  H  H144  1  0.740011  0.383490  0.679514  1
