# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13606985
_cell_length_b   13.06627492
_cell_length_c   46.27722367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.23368624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni198 H99'
_cell_volume   5473.6438226
_cell_formula_units_Z   99
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  0.121106  0.601732  0.301319  1
  Ni  Ni2  1  0.454439  0.268399  0.301319  1
  Ni  Ni3  1  0.390341  0.599491  0.312211  1
  Ni  Ni4  1  0.787773  0.935065  0.301319  1
  Ni  Ni5  1  0.723674  0.266158  0.312211  1
  Ni  Ni6  1  0.853226  0.610008  0.290641  1
  Ni  Ni7  1  0.057007  0.932825  0.312211  1
  Ni  Ni8  1  0.186559  0.276675  0.290641  1
  Ni  Ni9  1  0.519892  0.943342  0.290641  1
  Ni  Ni10  1  0.124073  0.776464  0.281909  1
  Ni  Ni11  1  0.457406  0.443131  0.281909  1
  Ni  Ni12  1  0.392136  0.777540  0.292939  1
  Ni  Ni13  1  0.790739  0.109798  0.281909  1
  Ni  Ni14  1  0.725470  0.444207  0.292939  1
  Ni  Ni15  1  0.662112  0.769709  0.303779  1
  Ni  Ni16  1  0.058803  0.110874  0.292939  1
  Ni  Ni17  1  0.995445  0.436376  0.303779  1
  Ni  Ni18  1  0.328778  0.103043  0.303779  1
  Ni  Ni19  1  0.929992  0.581021  0.340684  1
  Ni  Ni20  1  0.263325  0.247688  0.340684  1
  Ni  Ni21  1  0.202563  0.574205  0.353024  1
  Ni  Ni22  1  0.596659  0.914355  0.340684  1
  Ni  Ni23  1  0.535896  0.240872  0.353024  1
  Ni  Ni24  1  0.654704  0.590454  0.325967  1
  Ni  Ni25  1  0.869229  0.907539  0.353024  1
  Ni  Ni26  1  0.988037  0.257120  0.325967  1
  Ni  Ni27  1  0.321370  0.923787  0.325967  1
  Ni  Ni28  1  0.932597  0.762795  0.316344  1
  Ni  Ni29  1  0.265930  0.429462  0.316344  1
  Ni  Ni30  1  0.205932  0.755787  0.330629  1
  Ni  Ni31  1  0.599263  0.096128  0.316344  1
  Ni  Ni32  1  0.539266  0.422454  0.330629  1
  Ni  Ni33  1  0.476465  0.750385  0.342523  1
  Ni  Ni34  1  0.872599  0.089120  0.330629  1
  Ni  Ni35  1  0.809798  0.417051  0.342523  1
  Ni  Ni36  1  0.143132  0.083718  0.342523  1
  Ni  Ni37  1  0.741826  0.560588  0.379500  1
  Ni  Ni38  1  0.075159  0.227255  0.379500  1
  Ni  Ni39  1  0.014492  0.553433  0.393296  1
  Ni  Ni40  1  0.408492  0.893921  0.379500  1
  Ni  Ni41  1  0.347825  0.220100  0.393296  1
  Ni  Ni42  1  0.471329  0.567840  0.366148  1
  Ni  Ni43  1  0.681158  0.886766  0.393296  1
  Ni  Ni44  1  0.804663  0.234507  0.366148  1
  Ni  Ni45  1  0.137996  0.901173  0.366148  1
  Ni  Ni46  1  0.745856  0.742724  0.355494  1
  Ni  Ni47  1  0.079190  0.409391  0.355494  1
  Ni  Ni48  1  0.016267  0.735773  0.368898  1
  Ni  Ni49  1  0.412523  0.076057  0.355494  1
  Ni  Ni50  1  0.349601  0.402440  0.368898  1
  Ni  Ni51  1  0.288291  0.728685  0.382489  1
  Ni  Ni52  1  0.682934  0.069107  0.368898  1
  Ni  Ni53  1  0.621625  0.395352  0.382489  1
  Ni  Ni54  1  0.954958  0.062019  0.382489  1
  Ni  Ni55  1  0.555524  0.539818  0.419857  1
  Ni  Ni56  1  0.888857  0.206485  0.419857  1
  Ni  Ni57  1  0.826267  0.532990  0.433229  1
  Ni  Ni58  1  0.222190  0.873152  0.419857  1
  Ni  Ni59  1  0.159600  0.199657  0.433229  1
  Ni  Ni60  1  0.284951  0.546561  0.406597  1
  Ni  Ni61  1  0.492933  0.866324  0.433229  1
  Ni  Ni62  1  0.618285  0.213227  0.406597  1
  Ni  Ni63  1  0.951618  0.879894  0.406597  1
  Ni  Ni64  1  0.558592  0.722235  0.395634  1
  Ni  Ni65  1  0.891925  0.388901  0.395634  1
  Ni  Ni66  1  0.829030  0.715218  0.409075  1
  Ni  Ni67  1  0.225258  0.055568  0.395634  1
  Ni  Ni68  1  0.162363  0.381885  0.409075  1
  Ni  Ni69  1  0.100001  0.708321  0.422339  1
  Ni  Ni70  1  0.495696  0.048552  0.409075  1
  Ni  Ni71  1  0.433334  0.374988  0.422339  1
  Ni  Ni72  1  0.766667  0.041655  0.422339  1
  Ni  Ni73  1  0.367988  0.519204  0.460104  1
  Ni  Ni74  1  0.701322  0.185871  0.460104  1
  Ni  Ni75  1  0.638710  0.512395  0.473434  1
  Ni  Ni76  1  0.034655  0.852538  0.460104  1
  Ni  Ni77  1  0.972043  0.179062  0.473434  1
  Ni  Ni78  1  0.097172  0.526104  0.446796  1
  Ni  Ni79  1  0.305376  0.845729  0.473434  1
  Ni  Ni80  1  0.430506  0.192771  0.446796  1
  Ni  Ni81  1  0.763839  0.859437  0.446796  1
  Ni  Ni82  1  0.370866  0.701455  0.435793  1
  Ni  Ni83  1  0.704200  0.368122  0.435793  1
  Ni  Ni84  1  0.641481  0.694646  0.449141  1
  Ni  Ni85  1  0.037533  0.034788  0.435793  1
  Ni  Ni86  1  0.974814  0.361313  0.449141  1
  Ni  Ni87  1  0.912287  0.687807  0.462520  1
  Ni  Ni88  1  0.308148  0.027979  0.449141  1
  Ni  Ni89  1  0.245621  0.354473  0.462520  1
  Ni  Ni90  1  0.578954  0.021140  0.462520  1
  Ni  Ni91  1  0.180210  0.498715  0.500242  1
  Ni  Ni92  1  0.513544  0.165382  0.500242  1
  Ni  Ni93  1  0.450977  0.491830  0.513614  1
  Ni  Ni94  1  0.846877  0.832049  0.500242  1
  Ni  Ni95  1  0.784310  0.158497  0.513614  1
  Ni  Ni96  1  0.909357  0.505549  0.486839  1
  Ni  Ni97  1  0.117644  0.825163  0.513614  1
  Ni  Ni98  1  0.242690  0.172215  0.486839  1
  Ni  Ni99  1  0.576023  0.838882  0.486839  1
  Ni  Ni100  1  0.183002  0.680970  0.475856  1
  Ni  Ni101  1  0.516335  0.347637  0.475856  1
  Ni  Ni102  1  0.453768  0.674085  0.489229  1
  Ni  Ni103  1  0.849668  0.014304  0.475856  1
  Ni  Ni104  1  0.787102  0.340752  0.489229  1
  Ni  Ni105  1  0.724622  0.667252  0.502631  1
  Ni  Ni106  1  0.120435  0.007418  0.489229  1
  Ni  Ni107  1  0.057955  0.333918  0.502631  1
  Ni  Ni108  1  0.391289  1.000585  0.502631  1
  Ni  Ni109  1  0.992498  0.478154  0.540329  1
  Ni  Ni110  1  0.325831  0.144821  0.540329  1
  Ni  Ni111  1  0.263112  0.471345  0.553677  1
  Ni  Ni112  1  0.659164  0.811488  0.540329  1
  Ni  Ni113  1  0.596446  0.138012  0.553677  1
  Ni  Ni114  1  0.721691  0.484994  0.526950  1
  Ni  Ni115  1  0.929779  0.804679  0.553677  1
  Ni  Ni116  1  0.055025  0.151660  0.526950  1
  Ni  Ni117  1  0.388358  0.818327  0.526950  1
  Ni  Ni118  1  0.995269  0.660405  0.516037  1
  Ni  Ni119  1  0.328602  0.327072  0.516037  1
  Ni  Ni120  1  0.265990  0.653596  0.529366  1
  Ni  Ni121  1  0.661936  0.993738  0.516037  1
  Ni  Ni122  1  0.599324  0.320263  0.529366  1
  Ni  Ni123  1  0.536806  0.646696  0.542674  1
  Ni  Ni124  1  0.932657  0.986929  0.529366  1
  Ni  Ni125  1  0.870140  0.313363  0.542674  1
  Ni  Ni126  1  0.203473  0.980030  0.542674  1
  Ni  Ni127  1  0.804949  0.457582  0.580395  1
  Ni  Ni128  1  0.138282  0.124249  0.580395  1
  Ni  Ni129  1  0.075387  0.450566  0.593836  1
  Ni  Ni130  1  0.471616  0.790915  0.580395  1
  Ni  Ni131  1  0.408720  0.117232  0.593836  1
  Ni  Ni132  1  0.533978  0.464479  0.567131  1
  Ni  Ni133  1  0.742054  0.783899  0.593836  1
  Ni  Ni134  1  0.867312  0.131146  0.567131  1
  Ni  Ni135  1  0.200645  0.797812  0.567131  1
  Ni  Ni136  1  0.807712  0.639810  0.556242  1
  Ni  Ni137  1  0.141045  0.306477  0.556242  1
  Ni  Ni138  1  0.078455  0.632982  0.569613  1
  Ni  Ni139  1  0.474379  0.973143  0.556242  1
  Ni  Ni140  1  0.411789  0.299649  0.569613  1
  Ni  Ni141  1  0.349027  0.626240  0.582873  1
  Ni  Ni142  1  0.745122  0.966315  0.569613  1
  Ni  Ni143  1  0.682361  0.292906  0.582873  1
  Ni  Ni144  1  0.015694  0.959573  0.582873  1
  Ni  Ni145  1  0.617711  0.437027  0.620572  1
  Ni  Ni146  1  0.951045  0.103694  0.620572  1
  Ni  Ni147  1  0.888122  0.430076  0.633976  1
  Ni  Ni148  1  0.284378  0.770360  0.620572  1
  Ni  Ni149  1  0.221456  0.096743  0.633976  1
  Ni  Ni150  1  0.345687  0.444115  0.606981  1
  Ni  Ni151  1  0.554789  0.763410  0.633976  1
  Ni  Ni152  1  0.679021  0.110782  0.606981  1
  Ni  Ni153  1  0.012354  0.777448  0.606981  1
  Ni  Ni154  1  0.619487  0.619367  0.596174  1
  Ni  Ni155  1  0.952820  0.286034  0.596174  1
  Ni  Ni156  1  0.892153  0.612212  0.609970  1
  Ni  Ni157  1  0.286154  0.952701  0.596174  1
  Ni  Ni158  1  0.225486  0.278879  0.609970  1
  Ni  Ni159  1  0.162649  0.604960  0.623322  1
  Ni  Ni160  1  0.558820  0.945546  0.609970  1
  Ni  Ni161  1  0.495983  0.271627  0.623322  1
  Ni  Ni162  1  0.829316  0.938294  0.623322  1
  Ni  Ni163  1  0.428046  0.417013  0.658841  1
  Ni  Ni164  1  0.761380  0.083680  0.658841  1
  Ni  Ni165  1  0.701382  0.410005  0.673126  1
  Ni  Ni166  1  0.094713  0.750347  0.658841  1
  Ni  Ni167  1  0.034716  0.076672  0.673126  1
  Ni  Ni168  1  0.157514  0.422416  0.646947  1
  Ni  Ni169  1  0.368049  0.743339  0.673126  1
  Ni  Ni170  1  0.490847  0.089082  0.646947  1
  Ni  Ni171  1  0.824180  0.755749  0.646947  1
  Ni  Ni172  1  0.431416  0.598595  0.636446  1
  Ni  Ni173  1  0.764749  0.265262  0.636446  1
  Ni  Ni174  1  0.703987  0.591779  0.648786  1
  Ni  Ni175  1  0.098083  0.931928  0.636446  1
  Ni  Ni176  1  0.037320  0.258446  0.648786  1
  Ni  Ni177  1  0.979275  0.582347  0.663503  1
  Ni  Ni178  1  0.370653  0.925112  0.648786  1
  Ni  Ni179  1  0.312608  0.249013  0.663503  1
  Ni  Ni180  1  0.645942  0.915680  0.663503  1
  Ni  Ni181  1  0.241842  0.395260  0.696531  1
  Ni  Ni182  1  0.575176  0.061927  0.696531  1
  Ni  Ni183  1  0.509906  0.396336  0.707561  1
  Ni  Ni184  1  0.908509  0.728593  0.696531  1
  Ni  Ni185  1  0.843239  0.063003  0.707561  1
  Ni  Ni186  1  0.971867  0.403091  0.685691  1
  Ni  Ni187  1  0.176573  0.729669  0.707561  1
  Ni  Ni188  1  0.305200  0.069758  0.685691  1
  Ni  Ni189  1  0.638534  0.736424  0.685691  1
  Ni  Ni190  1  0.243638  0.573309  0.677259  1
  Ni  Ni191  1  0.576971  0.239976  0.677259  1
  Ni  Ni192  1  0.512873  0.571068  0.688151  1
  Ni  Ni193  1  0.910305  0.906642  0.677259  1
  Ni  Ni194  1  0.846206  0.237735  0.688151  1
  Ni  Ni195  1  0.780753  0.562792  0.698829  1
  Ni  Ni196  1  0.179539  0.904402  0.688151  1
  Ni  Ni197  1  0.114087  0.229459  0.698829  1
  Ni  Ni198  1  0.447420  0.896125  0.698829  1
  H  H199  1  0.994753  0.689550  0.281230  1
  H  H200  1  0.328087  0.356217  0.281230  1
  H  H201  1  0.260850  0.692375  0.291460  1
  H  H202  1  0.661420  0.022884  0.281230  1
  H  H203  1  0.594183  0.359042  0.291460  1
  H  H204  1  0.526517  0.687358  0.303183  1
  H  H205  1  0.927517  0.025708  0.291460  1
  H  H206  1  0.859850  0.354024  0.303183  1
  H  H207  1  0.193184  0.020691  0.303183  1
  H  H208  1  0.791924  0.677752  0.318662  1
  H  H209  1  0.125257  0.344419  0.318662  1
  H  H210  1  0.068160  0.667251  0.333644  1
  H  H211  1  0.458591  0.011086  0.318662  1
  H  H212  1  0.401493  0.333918  0.333644  1
  H  H213  1  0.341955  0.659964  0.346669  1
  H  H214  1  0.734826  1.000585  0.333644  1
  H  H215  1  0.675288  0.326631  0.346669  1
  H  H216  1  0.008622  0.993298  0.346669  1
  H  H217  1  0.609420  0.654929  0.360645  1
  H  H218  1  0.942754  0.321596  0.360645  1
  H  H219  1  0.879322  0.648798  0.374629  1
  H  H220  1  0.276087  0.988262  0.360645  1
  H  H221  1  0.212655  0.315465  0.374629  1
  H  H222  1  0.151295  0.641216  0.387607  1
  H  H223  1  0.545988  0.982131  0.374629  1
  H  H224  1  0.484629  0.307883  0.387607  1
  H  H225  1  0.817962  0.974550  0.387607  1
  H  H226  1  0.421999  0.634110  0.401026  1
  H  H227  1  0.755332  0.300777  0.401026  1
  H  H228  1  0.692260  0.627353  0.414414  1
  H  H229  1  0.088666  0.967443  0.401026  1
  H  H230  1  0.025593  0.294020  0.414414  1
  H  H231  1  0.963301  0.620638  0.427903  1
  H  H232  1  0.358926  0.960686  0.414414  1
  H  H233  1  0.296634  0.287304  0.427903  1
  H  H234  1  0.629967  0.953971  0.427903  1
  H  H235  1  0.233995  0.613763  0.441214  1
  H  H236  1  0.567328  0.280429  0.441214  1
  H  H237  1  0.504810  0.606789  0.454566  1
  H  H238  1  0.900662  0.947096  0.441214  1
  H  H239  1  0.838144  0.273456  0.454566  1
  H  H240  1  0.775530  0.600022  0.467947  1
  H  H241  1  0.171477  0.940123  0.454566  1
  H  H242  1  0.108863  0.266689  0.467947  1
  H  H243  1  0.442197  0.933356  0.467947  1
  H  H244  1  0.046192  0.593312  0.481405  1
  H  H245  1  0.379526  0.259978  0.481405  1
  H  H246  1  0.316989  0.586400  0.494735  1
  H  H247  1  0.712859  0.926645  0.481405  1
  H  H248  1  0.650323  0.253067  0.494735  1
  H  H249  1  0.587786  0.579489  0.508065  1
  H  H250  1  0.983656  0.919734  0.494735  1
  H  H251  1  0.921120  0.246155  0.508065  1
  H  H252  1  0.254453  0.912822  0.508065  1
  H  H253  1  0.858449  0.572778  0.521524  1
  H  H254  1  0.191782  0.239445  0.521524  1
  H  H255  1  0.129169  0.566011  0.534904  1
  H  H256  1  0.525115  0.906111  0.521524  1
  H  H257  1  0.462502  0.232678  0.534904  1
  H  H258  1  0.399984  0.559038  0.548256  1
  H  H259  1  0.795835  0.899344  0.534904  1
  H  H260  1  0.733317  0.225704  0.548256  1
  H  H261  1  0.066650  0.892371  0.548256  1
  H  H262  1  0.670678  0.552163  0.561567  1
  H  H263  1  1.004011  0.218829  0.561567  1
  H  H264  1  0.941719  0.545447  0.575056  1
  H  H265  1  0.337345  0.885496  0.561567  1
  H  H266  1  0.275053  0.212114  0.575056  1
  H  H267  1  0.211980  0.538690  0.588444  1
  H  H268  1  0.608386  0.878781  0.575056  1
  H  H269  1  0.545313  0.205357  0.588444  1
  H  H270  1  0.878646  0.872024  0.588444  1
  H  H271  1  0.482683  0.531584  0.601863  1
  H  H272  1  0.816017  0.198251  0.601863  1
  H  H273  1  0.754657  0.524002  0.614842  1
  H  H274  1  0.149350  0.864917  0.601863  1
  H  H275  1  0.087990  0.190669  0.614842  1
  H  H276  1  0.024558  0.517871  0.628825  1
  H  H277  1  0.421324  0.857336  0.614842  1
  H  H278  1  0.357892  0.184538  0.628825  1
  H  H279  1  0.691225  0.851205  0.628825  1
  H  H280  1  0.292024  0.512836  0.642801  1
  H  H281  1  0.625357  0.179503  0.642801  1
  H  H282  1  0.565819  0.505549  0.655827  1
  H  H283  1  0.958690  0.846169  0.642801  1
  H  H284  1  0.899152  0.172216  0.655827  1
  H  H285  1  0.842055  0.495048  0.670808  1
  H  H286  1  0.232486  0.838882  0.655827  1
  H  H287  1  0.175388  0.161715  0.670808  1
  H  H288  1  0.508721  0.828381  0.670808  1
  H  H289  1  0.107462  0.485443  0.686287  1
  H  H290  1  0.440795  0.152109  0.686287  1
  H  H291  1  0.373129  0.480425  0.698011  1
  H  H292  1  0.774128  0.818776  0.686287  1
  H  H293  1  0.706462  0.147092  0.698011  1
  H  H294  1  0.639225  0.483250  0.708240  1
  H  H295  1  0.039795  0.813759  0.698011  1
  H  H296  1  0.972559  0.149917  0.708240  1
  H  H297  1  0.305892  0.816583  0.708240  1
