# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.70799415
_cell_length_b   6.54370681
_cell_length_c   45.96418627
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.52597579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni162 H54'
_cell_volume   4242.20933495
_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  0.509490  0.796674  0.273984  1
  Ni  Ni2  1  0.842500  0.980810  0.334267  1
  Ni  Ni3  1  0.178480  0.885588  0.302783  1
  Ni  Ni4  1  0.549906  0.268326  0.299258  1
  Ni  Ni5  1  0.880636  0.311722  0.315280  1
  Ni  Ni6  1  0.225317  0.215684  0.285455  1
  Ni  Ni7  1  0.650544  0.909201  0.291561  1
  Ni  Ni8  1  0.994599  0.947188  0.307014  1
  Ni  Ni9  1  0.332564  0.850373  0.276786  1
  Ni  Ni10  1  0.769044  0.681735  0.324444  1
  Ni  Ni11  1  0.111839  0.580256  0.295646  1
  Ni  Ni12  1  0.440649  0.499202  0.265204  1
  Ni  Ni13  1  0.733223  0.204965  0.299627  1
  Ni  Ni14  1  0.066188  0.252523  0.312291  1
  Ni  Ni15  1  0.403567  0.152023  0.282520  1
  Ni  Ni16  1  0.622616  0.569717  0.308277  1
  Ni  Ni17  1  0.953716  0.621036  0.323834  1
  Ni  Ni18  1  0.291013  0.525107  0.292742  1
  Ni  Ni19  1  0.507675  0.943778  0.321424  1
  Ni  Ni20  1  0.836295  0.137085  0.385748  1
  Ni  Ni21  1  0.170921  0.040028  0.352865  1
  Ni  Ni22  1  0.547618  0.421125  0.350045  1
  Ni  Ni23  1  0.876755  0.471062  0.365072  1
  Ni  Ni24  1  0.213693  0.370665  0.334043  1
  Ni  Ni25  1  0.657551  0.052387  0.339527  1
  Ni  Ni26  1  0.987893  0.102681  0.355007  1
  Ni  Ni27  1  0.325262  1.003048  0.324255  1
  Ni  Ni28  1  0.764453  0.837572  0.376299  1
  Ni  Ni29  1  0.100356  0.737910  0.344248  1
  Ni  Ni30  1  0.438236  0.639366  0.313398  1
  Ni  Ni31  1  0.729641  0.358221  0.347231  1
  Ni  Ni32  1  0.058367  0.406018  0.363419  1
  Ni  Ni33  1  0.395564  0.308832  0.331630  1
  Ni  Ni34  1  0.617573  0.728110  0.358251  1
  Ni  Ni35  1  0.947877  0.777043  0.374298  1
  Ni  Ni36  1  0.283248  0.679761  0.342261  1
  Ni  Ni37  1  0.504521  0.092517  0.371310  1
  Ni  Ni38  1  0.829775  0.291562  0.437358  1
  Ni  Ni39  1  0.166021  0.192552  0.404346  1
  Ni  Ni40  1  0.540364  0.576821  0.400748  1
  Ni  Ni41  1  0.870628  0.625295  0.416192  1
  Ni  Ni42  1  0.207487  0.526567  0.383969  1
  Ni  Ni43  1  0.652322  0.203655  0.389364  1
  Ni  Ni44  1  0.981301  0.255287  0.405542  1
  Ni  Ni45  1  0.319115  0.156006  0.373708  1
  Ni  Ni46  1  0.757330  0.993032  0.427760  1
  Ni  Ni47  1  0.093198  0.894097  0.394419  1
  Ni  Ni48  1  0.431986  0.793070  0.362492  1
  Ni  Ni49  1  0.722760  0.508629  0.397911  1
  Ni  Ni50  1  0.052620  0.559279  0.415105  1
  Ni  Ni51  1  0.390364  0.459924  0.382692  1
  Ni  Ni52  1  0.611180  0.881205  0.409673  1
  Ni  Ni53  1  0.941436  0.930723  0.425765  1
  Ni  Ni54  1  0.278103  0.832761  0.393081  1
  Ni  Ni55  1  0.498710  0.244288  0.422041  1
  Ni  Ni56  1  0.823297  0.444730  0.488552  1
  Ni  Ni57  1  0.160387  0.345234  0.455460  1
  Ni  Ni58  1  0.533133  0.730407  0.451601  1
  Ni  Ni59  1  0.864085  0.778396  0.467367  1
  Ni  Ni60  1  0.201032  0.680155  0.434558  1
  Ni  Ni61  1  0.645064  0.356556  0.440029  1
  Ni  Ni62  1  0.975189  0.407442  0.456600  1
  Ni  Ni63  1  0.312734  0.308550  0.424136  1
  Ni  Ni64  1  0.750242  0.147015  0.478889  1
  Ni  Ni65  1  0.086895  0.047058  0.445307  1
  Ni  Ni66  1  0.425383  0.946862  0.412647  1
  Ni  Ni67  1  0.716038  0.660840  0.449124  1
  Ni  Ni68  1  0.046604  0.712315  0.466275  1
  Ni  Ni69  1  0.384174  0.613209  0.433455  1
  Ni  Ni70  1  0.604327  0.034490  0.460823  1
  Ni  Ni71  1  0.935189  0.083511  0.476974  1
  Ni  Ni72  1  0.272428  0.984844  0.444108  1
  Ni  Ni73  1  0.491924  0.397294  0.472864  1
  Ni  Ni74  1  0.816622  0.597805  0.539451  1
  Ni  Ni75  1  0.154398  0.497987  0.506438  1
  Ni  Ni76  1  0.526127  0.883710  0.502538  1
  Ni  Ni77  1  0.857526  0.931559  0.518377  1
  Ni  Ni78  1  0.194807  0.832761  0.485424  1
  Ni  Ni79  1  0.637983  0.509750  0.490918  1
  Ni  Ni80  1  0.969003  0.560141  0.507616  1
  Ni  Ni81  1  0.306348  0.461410  0.474798  1
  Ni  Ni82  1  0.743358  0.300354  0.529857  1
  Ni  Ni83  1  0.080884  0.199661  0.496282  1
  Ni  Ni84  1  0.418660  0.099843  0.463269  1
  Ni  Ni85  1  0.709155  0.813939  0.500183  1
  Ni  Ni86  1  0.040476  0.864887  0.517296  1
  Ni  Ni87  1  0.377756  0.766089  0.484343  1
  Ni  Ni88  1  0.597299  0.187898  0.511803  1
  Ni  Ni89  1  0.928935  0.236239  0.527923  1
  Ni  Ni90  1  0.266280  0.137507  0.495105  1
  Ni  Ni91  1  0.485040  0.550634  0.523832  1
  Ni  Ni92  1  0.809900  0.750787  0.590074  1
  Ni  Ni93  1  0.148387  0.650591  0.557414  1
  Ni  Ni94  1  0.519244  0.036808  0.553597  1
  Ni  Ni95  1  0.851108  0.084440  0.569266  1
  Ni  Ni96  1  0.188679  0.985333  0.536446  1
  Ni  Ni97  1  0.630955  0.663159  0.541898  1
  Ni  Ni98  1  0.962854  0.712805  0.558612  1
  Ni  Ni99  1  0.300093  0.614138  0.525747  1
  Ni  Ni100  1  0.736572  0.453360  0.580680  1
  Ni  Ni101  1  0.074896  0.352415  0.547261  1
  Ni  Ni102  1  0.411985  0.252918  0.514169  1
  Ni  Ni103  1  0.702149  0.967242  0.551120  1
  Ni  Ni104  1  0.034250  0.017494  0.568162  1
  Ni  Ni105  1  0.371197  0.919252  0.535354  1
  Ni  Ni106  1  0.590218  0.341093  0.562691  1
  Ni  Ni107  1  0.922548  0.389098  0.578584  1
  Ni  Ni108  1  0.260093  0.290206  0.546121  1
  Ni  Ni109  1  0.477952  0.704616  0.574961  1
  Ni  Ni110  1  0.803296  0.904579  0.640229  1
  Ni  Ni111  1  0.142084  0.803552  0.608302  1
  Ni  Ni112  1  0.512522  0.189020  0.604810  1
  Ni  Ni113  1  0.844918  0.237725  0.620028  1
  Ni  Ni114  1  0.182662  0.138370  0.587616  1
  Ni  Ni115  1  0.624102  0.816444  0.593048  1
  Ni  Ni116  1  0.957180  0.864887  0.609640  1
  Ni  Ni117  1  0.293846  0.766926  0.576956  1
  Ni  Ni118  1  0.730761  0.605131  0.631411  1
  Ni  Ni119  1  0.069262  0.505096  0.598375  1
  Ni  Ni120  1  0.405507  0.406086  0.565363  1
  Ni  Ni121  1  0.694919  0.120828  0.601973  1
  Ni  Ni122  1  0.027795  0.171081  0.618751  1
  Ni  Ni123  1  0.364654  0.072353  0.586529  1
  Ni  Ni124  1  0.582960  0.493994  0.613357  1
  Ni  Ni125  1  0.916167  0.541643  0.629012  1
  Ni  Ni126  1  0.253981  0.442361  0.597179  1
  Ni  Ni127  1  0.470829  0.860076  0.626422  1
  Ni  Ni128  1  0.797046  0.058282  0.689323  1
  Ni  Ni129  1  0.134926  0.959738  0.658472  1
  Ni  Ni130  1  0.505641  0.339427  0.655490  1
  Ni  Ni131  1  0.839718  0.388816  0.671091  1
  Ni  Ni132  1  0.176915  0.291630  0.639302  1
  Ni  Ni133  1  0.617710  0.969538  0.644470  1
  Ni  Ni134  1  0.952034  0.017887  0.660459  1
  Ni  Ni135  1  0.287405  0.920606  0.628423  1
  Ni  Ni136  1  0.727608  0.753871  0.681297  1
  Ni  Ni137  1  0.064362  0.657620  0.649856  1
  Ni  Ni138  1  0.398987  0.560564  0.616973  1
  Ni  Ni139  1  0.687664  0.276524  0.652676  1
  Ni  Ni140  1  0.021589  0.326983  0.668677  1
  Ni  Ni141  1  0.358528  0.226587  0.637648  1
  Ni  Ni142  1  0.577731  0.645262  0.663193  1
  Ni  Ni143  1  0.910021  0.694600  0.678466  1
  Ni  Ni144  1  0.247389  0.594968  0.647713  1
  Ni  Ni145  1  0.466238  0.015913  0.678277  1
  Ni  Ni146  1  0.794633  0.198447  0.737517  1
  Ni  Ni147  1  0.123443  0.117392  0.707075  1
  Ni  Ni148  1  0.502059  0.492683  0.703094  1
  Ni  Ni149  1  0.831716  0.545626  0.720201  1
  Ni  Ni150  1  0.169094  0.445125  0.690430  1
  Ni  Ni151  1  0.612666  0.127932  0.694443  1
  Ni  Ni152  1  0.944270  0.172542  0.709978  1
  Ni  Ni153  1  0.281566  0.076612  0.678887  1
  Ni  Ni154  1  0.725792  0.900975  0.728736  1
  Ni  Ni155  1  0.056803  0.812061  0.699938  1
  Ni  Ni156  1  0.392782  0.716838  0.668453  1
  Ni  Ni157  1  0.685376  0.429322  0.703463  1
  Ni  Ni158  1  0.009965  0.481965  0.717266  1
  Ni  Ni159  1  0.354646  0.385927  0.687440  1
  Ni  Ni160  1  0.584738  0.788447  0.711160  1
  Ni  Ni161  1  0.902718  0.847276  0.725935  1
  Ni  Ni162  1  0.240683  0.750460  0.695707  1
  H  H163  1  0.536448  0.021528  0.280447  1
  H  H164  1  0.869102  0.084498  0.298267  1
  H  H165  1  0.191484  0.124602  0.315592  1
  H  H166  1  0.754119  0.440082  0.306947  1
  H  H167  1  0.112006  0.361376  0.275360  1
  H  H168  1  0.418595  0.388985  0.293402  1
  H  H169  1  0.528404  0.182822  0.334591  1
  H  H170  1  0.859475  0.224994  0.349045  1
  H  H171  1  0.189156  0.278271  0.368838  1
  H  H172  1  0.746961  0.602283  0.360183  1
  H  H173  1  0.076315  0.497158  0.326182  1
  H  H174  1  0.412925  0.548276  0.347585  1
  H  H175  1  0.523044  0.332285  0.386286  1
  H  H176  1  0.853026  0.379286  0.401127  1
  H  H177  1  0.184080  0.433363  0.419758  1
  H  H178  1  0.739395  0.752585  0.412491  1
  H  H179  1  0.075711  0.648150  0.379396  1
  H  H180  1  0.407214  0.704284  0.397859  1
  H  H181  1  0.516279  0.485851  0.437019  1
  H  H182  1  0.847111  0.533296  0.452413  1
  H  H183  1  0.177954  0.587114  0.470563  1
  H  H184  1  0.732641  0.905647  0.463771  1
  H  H185  1  0.069584  0.804277  0.430262  1
  H  H186  1  0.401054  0.857854  0.448395  1
  H  H187  1  0.509470  0.638845  0.487911  1
  H  H188  1  0.840675  0.686624  0.503489  1
  H  H189  1  0.171839  0.740066  0.521495  1
  H  H190  1  0.725812  0.058803  0.514810  1
  H  H191  1  0.063443  0.957583  0.481226  1
  H  H192  1  0.394607  0.011024  0.499232  1
  H  H193  1  0.502641  0.792001  0.538950  1
  H  H194  1  0.834228  0.839795  0.554326  1
  H  H195  1  0.165699  0.893371  0.572459  1
  H  H196  1  0.719004  0.211798  0.565702  1
  H  H197  1  0.057328  0.110534  0.532158  1
  H  H198  1  0.388171  0.164352  0.550308  1
  H  H199  1  0.495887  0.945064  0.590230  1
  H  H200  1  0.828068  0.993365  0.604862  1
  H  H201  1  0.159571  0.049498  0.623325  1
  H  H202  1  0.712238  0.365364  0.616434  1
  H  H203  1  0.051203  0.264286  0.582962  1
  H  H204  1  0.382256  0.318362  0.601594  1
  H  H205  1  0.488321  0.095365  0.642537  1
  H  H206  1  0.822357  0.149373  0.655136  1
  H  H207  1  0.158968  0.200490  0.676539  1
  H  H208  1  0.706878  0.514826  0.668129  1
  H  H209  1  0.046127  0.419377  0.633883  1
  H  H210  1  0.375807  0.472655  0.653676  1
  H  H211  1  0.481163  0.257566  0.695773  1
  H  H212  1  0.816687  0.308663  0.709319  1
  H  H213  1  0.123276  0.336273  0.727361  1
  H  H214  1  0.698835  0.676120  0.722274  1
  H  H215  1  0.043799  0.573047  0.687129  1
  H  H216  1  0.366180  0.613150  0.704454  1
