# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83701950
_cell_length_b   17.89166928
_cell_length_c   49.39567401
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.63437707
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni162 H54'
_cell_volume   4273.60368799
_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  0.784118  0.171579  0.299843  1
  Ni  Ni2  1  0.455664  0.498570  0.317315  1
  Ni  Ni3  1  0.128602  0.845397  0.286164  1
  Ni  Ni4  1  0.075683  0.048142  0.297899  1
  Ni  Ni5  1  0.722339  0.376253  0.309806  1
  Ni  Ni6  1  0.410299  0.722705  0.283569  1
  Ni  Ni7  1  0.281426  0.170673  0.300928  1
  Ni  Ni8  1  0.950781  0.495434  0.319174  1
  Ni  Ni9  1  0.625900  0.841632  0.287426  1
  Ni  Ni10  1  0.851538  0.935931  0.314093  1
  Ni  Ni11  1  0.507113  0.281308  0.282482  1
  Ni  Ni12  1  0.179390  0.608056  0.299036  1
  Ni  Ni13  1  0.579746  0.058967  0.318508  1
  Ni  Ni14  1  0.225914  0.401773  0.291115  1
  Ni  Ni15  1  0.918106  0.731650  0.303118  1
  Ni  Ni16  1  0.356814  0.936835  0.315396  1
  Ni  Ni17  1  0.010542  0.283215  0.283746  1
  Ni  Ni18  1  0.684343  0.611964  0.301788  1
  Ni  Ni19  1  0.795553  0.152286  0.349329  1
  Ni  Ni20  1  0.461843  0.478834  0.367786  1
  Ni  Ni21  1  0.125291  0.824952  0.334357  1
  Ni  Ni22  1  0.070482  0.027675  0.345589  1
  Ni  Ni23  1  0.736474  0.355484  0.359970  1
  Ni  Ni24  1  0.398493  0.700655  0.330501  1
  Ni  Ni25  1  0.288673  0.148542  0.349608  1
  Ni  Ni26  1  0.955153  0.474770  0.368780  1
  Ni  Ni27  1  0.620000  0.820723  0.334719  1
  Ni  Ni28  1  0.853252  0.914455  0.364005  1
  Ni  Ni29  1  0.516794  0.262150  0.330541  1
  Ni  Ni30  1  0.185195  0.587263  0.348441  1
  Ni  Ni31  1  0.578839  0.039577  0.369105  1
  Ni  Ni32  1  0.240581  0.384668  0.338802  1
  Ni  Ni33  1  0.908451  0.711615  0.353377  1
  Ni  Ni34  1  0.360974  0.917798  0.364719  1
  Ni  Ni35  1  0.022344  0.265110  0.330893  1
  Ni  Ni36  1  0.691451  0.590442  0.349754  1
  Ni  Ni37  1  0.799981  0.132809  0.399924  1
  Ni  Ni38  1  0.469277  0.459398  0.418390  1
  Ni  Ni39  1  0.128649  0.805691  0.384383  1
  Ni  Ni40  1  0.073252  0.007588  0.394905  1
  Ni  Ni41  1  0.743562  0.335147  0.410354  1
  Ni  Ni42  1  0.403251  0.680304  0.379571  1
  Ni  Ni43  1  0.293401  0.129057  0.400047  1
  Ni  Ni44  1  0.962218  0.455069  0.419020  1
  Ni  Ni45  1  0.623095  0.801817  0.384594  1
  Ni  Ni46  1  0.859277  0.894924  0.414486  1
  Ni  Ni47  1  0.524674  0.241108  0.380271  1
  Ni  Ni48  1  0.191281  0.567155  0.398707  1
  Ni  Ni49  1  0.584889  0.020163  0.419949  1
  Ni  Ni50  1  0.249594  0.365621  0.388596  1
  Ni  Ni51  1  0.915036  0.692673  0.404305  1
  Ni  Ni52  1  0.366734  0.898581  0.414703  1
  Ni  Ni53  1  0.030902  0.245070  0.380326  1
  Ni  Ni54  1  0.698490  0.571008  0.399220  1
  Ni  Ni55  1  0.807754  0.114021  0.450300  1
  Ni  Ni56  1  0.477574  0.440515  0.468688  1
  Ni  Ni57  1  0.137120  0.786635  0.434611  1
  Ni  Ni58  1  0.081315  0.988852  0.444751  1
  Ni  Ni59  1  0.751405  0.316180  0.460619  1
  Ni  Ni60  1  0.411509  0.661275  0.429219  1
  Ni  Ni61  1  0.300822  0.110176  0.450434  1
  Ni  Ni62  1  0.970593  0.436253  0.469209  1
  Ni  Ni63  1  0.630505  0.782708  0.434759  1
  Ni  Ni64  1  0.868400  0.876007  0.464750  1
  Ni  Ni65  1  0.530635  0.221994  0.430534  1
  Ni  Ni66  1  0.199269  0.548321  0.448957  1
  Ni  Ni67  1  0.594213  1.001286  0.470417  1
  Ni  Ni68  1  0.256771  0.346301  0.438710  1
  Ni  Ni69  1  0.924363  0.673680  0.454746  1
  Ni  Ni70  1  0.375582  0.879856  0.464744  1
  Ni  Ni71  1  0.037525  0.226043  0.430284  1
  Ni  Ni72  1  0.706563  0.552271  0.449057  1
  Ni  Ni73  1  0.816903  0.095449  0.500590  1
  Ni  Ni74  1  0.486483  0.421897  0.518962  1
  Ni  Ni75  1  0.146931  0.767867  0.484821  1
  Ni  Ni76  1  0.090986  0.970204  0.494807  1
  Ni  Ni77  1  0.760118  0.297565  0.510861  1
  Ni  Ni78  1  0.421125  0.642571  0.479167  1
  Ni  Ni79  1  0.309774  0.091517  0.500676  1
  Ni  Ni80  1  0.979516  0.417713  0.519385  1
  Ni  Ni81  1  0.639996  0.763951  0.484927  1
  Ni  Ni82  1  0.878441  0.857298  0.514966  1
  Ni  Ni83  1  0.538889  0.203268  0.480826  1
  Ni  Ni84  1  0.208469  0.529716  0.499198  1
  Ni  Ni85  1  0.604247  0.982594  0.520621  1
  Ni  Ni86  1  0.265255  0.327600  0.488926  1
  Ni  Ni87  1  0.934386  0.654961  0.504980  1
  Ni  Ni88  1  0.385376  0.861213  0.514861  1
  Ni  Ni89  1  0.045856  0.207451  0.480402  1
  Ni  Ni90  1  0.715598  0.533648  0.499112  1
  Ni  Ni91  1  0.826103  0.076844  0.550831  1
  Ni  Ni92  1  0.494737  0.403170  0.569254  1
  Ni  Ni93  1  0.156973  0.749158  0.535038  1
  Ni  Ni94  1  0.101009  0.951485  0.545041  1
  Ni  Ni95  1  0.768601  0.278864  0.561078  1
  Ni  Ni96  1  0.431159  0.623879  0.529371  1
  Ni  Ni97  1  0.318809  0.072894  0.550731  1
  Ni  Ni98  1  0.987847  0.399122  0.569504  1
  Ni  Ni99  1  0.649791  0.745309  0.535044  1
  Ni  Ni100  1  0.888252  0.838529  0.565177  1
  Ni  Ni101  1  0.547798  0.184650  0.531100  1
  Ni  Ni102  1  0.217618  0.511143  0.549488  1
  Ni  Ni103  1  0.613863  0.963890  0.570569  1
  Ni  Ni104  1  0.273967  0.308985  0.539169  1
  Ni  Ni105  1  0.944057  0.636313  0.555037  1
  Ni  Ni106  1  0.394867  0.842456  0.565028  1
  Ni  Ni107  1  0.054779  0.188911  0.530579  1
  Ni  Ni108  1  0.724551  0.514989  0.549353  1
  Ni  Ni109  1  0.834091  0.058009  0.601081  1
  Ni  Ni110  1  0.500698  0.384057  0.619517  1
  Ni  Ni111  1  0.166095  0.730240  0.585302  1
  Ni  Ni112  1  0.110336  0.932492  0.595483  1
  Ni  Ni113  1  0.775778  0.259543  0.611192  1
  Ni  Ni114  1  0.440483  0.605002  0.579839  1
  Ni  Ni115  1  0.326882  0.054157  0.600567  1
  Ni  Ni116  1  0.994470  0.380094  0.619462  1
  Ni  Ni117  1  0.658639  0.726584  0.585084  1
  Ni  Ni118  1  0.896723  0.819474  0.615405  1
  Ni  Ni119  1  0.556095  0.165767  0.581397  1
  Ni  Ni120  1  0.225391  0.492356  0.599864  1
  Ni  Ni121  1  0.622121  0.944861  0.620217  1
  Ni  Ni122  1  0.281810  0.290017  0.589434  1
  Ni  Ni123  1  0.952120  0.617577  0.604882  1
  Ni  Ni124  1  0.402277  0.823348  0.615194  1
  Ni  Ni125  1  0.063154  0.170096  0.580768  1
  Ni  Ni126  1  0.731971  0.496108  0.599741  1
  Ni  Ni127  1  0.840177  0.037901  0.651347  1
  Ni  Ni128  1  0.508578  0.363014  0.669247  1
  Ni  Ni129  1  0.172120  0.710710  0.635783  1
  Ni  Ni130  1  0.116921  0.913550  0.646411  1
  Ni  Ni131  1  0.784791  0.240497  0.660986  1
  Ni  Ni132  1  0.446533  0.585588  0.630683  1
  Ni  Ni133  1  0.333921  0.034723  0.650034  1
  Ni  Ni134  1  0.003028  0.360054  0.668895  1
  Ni  Ni135  1  0.664398  0.707366  0.635069  1
  Ni  Ni136  1  0.900081  0.800212  0.665431  1
  Ni  Ni137  1  0.563529  0.146331  0.632002  1
  Ni  Ni138  1  0.229819  0.472879  0.650459  1
  Ni  Ni139  1  0.626879  0.924510  0.669287  1
  Ni  Ni140  1  0.288898  0.269680  0.639818  1
  Ni  Ni141  1  0.954890  0.597490  0.654199  1
  Ni  Ni142  1  0.405372  0.804441  0.665069  1
  Ni  Ni143  1  0.070219  0.150395  0.631008  1
  Ni  Ni144  1  0.736699  0.476623  0.650179  1
  Ni  Ni145  1  0.845982  0.017108  0.700752  1
  Ni  Ni146  1  0.518259  0.343856  0.717306  1
  Ni  Ni147  1  0.173834  0.689234  0.685695  1
  Ni  Ni148  1  0.107267  0.893515  0.696670  1
  Ni  Ni149  1  0.799458  0.223392  0.708673  1
  Ni  Ni150  1  0.445626  0.566198  0.681280  1
  Ni  Ni151  1  0.341029  0.013201  0.697999  1
  Ni  Ni152  1  0.014830  0.341950  0.716042  1
  Ni  Ni153  1  0.668559  0.688330  0.684392  1
  Ni  Ni154  1  0.896770  0.779768  0.713623  1
  Ni  Ni155  1  0.569708  0.126594  0.682473  1
  Ni  Ni156  1  0.241254  0.453586  0.699945  1
  Ni  Ni157  1  0.615074  0.902459  0.716219  1
  Ni  Ni158  1  0.303033  0.248912  0.689982  1
  Ni  Ni159  1  0.949689  0.577023  0.701889  1
  Ni  Ni160  1  0.399472  0.783533  0.712362  1
  Ni  Ni161  1  0.074591  0.129731  0.680614  1
  Ni  Ni162  1  0.743946  0.454492  0.698860  1
  H  H163  1  1.000771  0.111628  0.320527  1
  H  H164  1  0.517586  0.441762  0.287163  1
  H  H165  1  0.337061  0.788211  0.304978  1
  H  H166  1  0.783024  0.012820  0.290236  1
  H  H167  1  0.297980  0.321707  0.305887  1
  H  H168  1  0.135170  0.677696  0.275766  1
  H  H169  1  0.008813  0.092177  0.372710  1
  H  H170  1  0.670405  0.438806  0.338656  1
  H  H171  1  0.339560  0.764994  0.357491  1
  H  H172  1  0.639125  0.976969  0.340178  1
  H  H173  1  0.309737  0.302643  0.358596  1
  H  H174  1  0.967409  0.646454  0.324002  1
  H  H175  1  0.014656  0.072079  0.422965  1
  H  H176  1  0.673591  0.417606  0.390005  1
  H  H177  1  0.343786  0.744733  0.407458  1
  H  H178  1  0.647598  0.956990  0.391469  1
  H  H179  1  0.318500  0.283148  0.408667  1
  H  H180  1  0.980135  0.629749  0.375921  1
  H  H181  1  0.022550  0.053021  0.473155  1
  H  H182  1  0.682022  0.398180  0.440411  1
  H  H183  1  0.352404  0.725487  0.457493  1
  H  H184  1  0.654152  0.937615  0.441915  1
  H  H185  1  0.325780  0.264254  0.458862  1
  H  H186  1  0.986429  0.610141  0.426236  1
  H  H187  1  0.031068  0.034083  0.523340  1
  H  H188  1  0.690870  0.379497  0.490684  1
  H  H189  1  0.361985  0.706536  0.507631  1
  H  H190  1  0.663387  0.918629  0.492157  1
  H  H191  1  0.334502  0.245668  0.509104  1
  H  H192  1  0.994304  0.591081  0.476448  1
  H  H193  1  0.038943  0.015024  0.573552  1
  H  H194  1  0.699593  0.360910  0.540926  1
  H  H195  1  0.371220  0.687550  0.557873  1
  H  H196  1  0.672968  0.899677  0.542295  1
  H  H197  1  0.343350  0.226984  0.559377  1
  H  H198  1  0.002822  0.572144  0.526633  1
  H  H199  1  0.045238  0.995416  0.623867  1
  H  H200  1  0.706872  0.342016  0.591121  1
  H  H201  1  0.377774  0.668175  0.608319  1
  H  H202  1  0.681586  0.880431  0.592330  1
  H  H203  1  0.351781  0.207558  0.609783  1
  H  H204  1  0.010716  0.553086  0.576823  1
  H  H205  1  0.057963  0.978710  0.675786  1
  H  H206  1  0.715635  0.322522  0.641192  1
  H  H207  1  0.386247  0.648195  0.659609  1
  H  H208  1  0.685812  0.860171  0.642297  1
  H  H209  1  0.354967  0.186359  0.661132  1
  H  H210  1  0.016559  0.532988  0.627078  1
  H  H211  1  0.890202  0.947468  0.724022  1
  H  H212  1  0.727393  0.303458  0.693901  1
  H  H213  1  0.242348  0.612344  0.709552  1
  H  H214  1  0.688311  0.836954  0.694810  1
  H  H215  1  0.507786  0.183403  0.712625  1
  H  H216  1  0.024601  0.513536  0.679261  1
