# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82839871
_cell_length_b   13.96962338
_cell_length_c   46.55714801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.25906584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni120 H40'
_cell_volume   3111.70501615
_cell_formula_units_Z   40
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  0.111006  0.335462  0.274244  1
  Ni  Ni2  1  0.803360  0.811996  0.294375  1
  Ni  Ni3  1  0.615953  0.129094  0.289028  1
  Ni  Ni4  1  0.160471  0.594242  0.310179  1
  Ni  Ni5  1  0.623630  0.295775  0.272452  1
  Ni  Ni6  1  0.294579  0.801442  0.297403  1
  Ni  Ni7  1  0.485659  0.963539  0.292203  1
  Ni  Ni8  1  0.004607  0.427506  0.315620  1
  Ni  Ni9  1  0.097411  0.166314  0.275559  1
  Ni  Ni10  1  0.645660  0.651420  0.298470  1
  Ni  Ni11  1  0.989343  0.976145  0.291702  1
  Ni  Ni12  1  0.514533  0.429893  0.309503  1
  Ni  Ni13  1  0.346799  0.264383  0.315524  1
  Ni  Ni14  1  0.873780  0.721859  0.338530  1
  Ni  Ni15  1  0.711635  0.037684  0.334788  1
  Ni  Ni16  1  0.259663  0.494250  0.355648  1
  Ni  Ni17  1  0.852142  0.256487  0.316959  1
  Ni  Ni18  1  0.370164  0.709247  0.341529  1
  Ni  Ni19  1  0.536222  0.874023  0.337837  1
  Ni  Ni20  1  0.069815  0.330614  0.359557  1
  Ni  Ni21  1  0.193447  0.096385  0.320356  1
  Ni  Ni22  1  0.716641  0.557227  0.341274  1
  Ni  Ni23  1  0.038625  0.880827  0.337489  1
  Ni  Ni24  1  0.573999  0.335212  0.357784  1
  Ni  Ni25  1  0.401217  0.173562  0.361651  1
  Ni  Ni26  1  0.937973  0.626007  0.383841  1
  Ni  Ni27  1  0.757703  0.944798  0.380886  1
  Ni  Ni28  1  0.290750  0.399656  0.402316  1
  Ni  Ni29  1  0.897675  0.165862  0.362568  1
  Ni  Ni30  1  0.432860  0.617790  0.386399  1
  Ni  Ni31  1  0.604513  0.780365  0.383396  1
  Ni  Ni32  1  0.128013  0.235925  0.405586  1
  Ni  Ni33  1  0.240504  1.007899  0.364907  1
  Ni  Ni34  1  0.772711  0.462656  0.386559  1
  Ni  Ni35  1  0.107177  0.788387  0.383097  1
  Ni  Ni36  1  0.632496  0.243466  0.404917  1
  Ni  Ni37  1  0.455575  0.081027  0.407723  1
  Ni  Ni38  1  0.985924  0.533500  0.430143  1
  Ni  Ni39  1  0.816623  0.851375  0.426782  1
  Ni  Ni40  1  0.343507  0.306002  0.448802  1
  Ni  Ni41  1  0.951441  0.073125  0.408400  1
  Ni  Ni42  1  0.481766  0.524661  0.431518  1
  Ni  Ni43  1  0.660107  0.687309  0.429106  1
  Ni  Ni44  1  0.182582  0.142288  0.451761  1
  Ni  Ni45  1  0.297198  0.916536  0.410824  1
  Ni  Ni46  1  0.825128  0.370318  0.433016  1
  Ni  Ni47  1  0.163385  0.694929  0.428654  1
  Ni  Ni48  1  0.687262  0.149656  0.451210  1
  Ni  Ni49  1  0.511369  0.987446  0.453800  1
  Ni  Ni50  1  0.038666  0.440621  0.476441  1
  Ni  Ni51  1  0.871494  0.757860  0.472582  1
  Ni  Ni52  1  0.397338  0.212482  0.495019  1
  Ni  Ni53  1  0.006747  0.979917  0.454356  1
  Ni  Ni54  1  0.534143  0.432526  0.477319  1
  Ni  Ni55  1  0.711485  0.594302  0.474986  1
  Ni  Ni56  1  0.237152  0.048479  0.497796  1
  Ni  Ni57  1  0.352571  0.823026  0.456558  1
  Ni  Ni58  1  0.878484  0.277346  0.479091  1
  Ni  Ni59  1  0.215951  0.601888  0.474351  1
  Ni  Ni60  1  0.741754  0.055825  0.497294  1
  Ni  Ni61  1  0.566095  0.893458  0.499746  1
  Ni  Ni62  1  0.091762  0.347634  0.522555  1
  Ni  Ni63  1  0.924763  0.664591  0.518450  1
  Ni  Ni64  1  0.450676  0.118911  0.540984  1
  Ni  Ni65  1  0.061493  0.886112  0.500247  1
  Ni  Ni66  1  0.587296  0.340048  0.523191  1
  Ni  Ni67  1  0.764581  0.501316  0.521101  1
  Ni  Ni68  1  0.291878  0.954491  0.543741  1
  Ni  Ni69  1  0.405909  0.729454  0.502522  1
  Ni  Ni70  1  0.931753  0.184076  0.524959  1
  Ni  Ni71  1  0.269104  0.509411  0.520222  1
  Ni  Ni72  1  0.796500  0.962020  0.543185  1
  Ni  Ni73  1  0.620666  0.799649  0.545781  1
  Ni  Ni74  1  0.143140  0.254628  0.568435  1
  Ni  Ni75  1  0.978119  0.571619  0.564525  1
  Ni  Ni76  1  0.506049  0.025401  0.586717  1
  Ni  Ni77  1  0.115985  0.792281  0.546332  1
  Ni  Ni78  1  0.639862  0.247008  0.568887  1
  Ni  Ni79  1  0.817323  0.408436  0.567399  1
  Ni  Ni80  1  0.347672  0.860909  0.589818  1
  Ni  Ni81  1  0.459740  0.635935  0.548739  1
  Ni  Ni82  1  0.986624  0.090562  0.570760  1
  Ni  Ni83  1  0.321481  0.417276  0.566023  1
  Ni  Ni84  1  0.851806  0.868812  0.589141  1
  Ni  Ni85  1  0.675234  0.706012  0.591955  1
  Ni  Ni86  1  0.198734  0.161572  0.614145  1
  Ni  Ni87  1  0.030536  0.479281  0.610982  1
  Ni  Ni88  1  0.562743  0.934038  0.632634  1
  Ni  Ni89  1  0.170751  0.698471  0.592624  1
  Ni  Ni90  1  0.696070  0.153550  0.614444  1
  Ni  Ni91  1  0.865274  0.315930  0.613700  1
  Ni  Ni92  1  0.402031  0.768375  0.635890  1
  Ni  Ni93  1  0.512497  0.542281  0.595225  1
  Ni  Ni94  1  0.045544  0.997139  0.616656  1
  Ni  Ni95  1  0.370387  0.324147  0.611143  1
  Ni  Ni96  1  0.905572  0.776075  0.634973  1
  Ni  Ni97  1  0.733432  0.611323  0.637984  1
  Ni  Ni98  1  0.267025  0.067914  0.659704  1
  Ni  Ni99  1  0.086607  0.384710  0.656267  1
  Ni  Ni100  1  0.609800  0.845552  0.677185  1
  Ni  Ni101  1  0.229248  0.606724  0.639758  1
  Ni  Ni102  1  0.764622  0.061110  0.660052  1
  Ni  Ni103  1  0.929467  0.220078  0.659011  1
  Ni  Ni104  1  0.456448  0.677554  0.682018  1
  Ni  Ni105  1  0.543584  0.447687  0.641893  1
  Ni  Ni106  1  0.091613  0.904253  0.662753  1
  Ni  Ni107  1  0.433083  0.232690  0.656012  1
  Ni  Ni108  1  0.951105  0.685450  0.680582  1
  Ni  Ni109  1  0.798640  0.514431  0.681922  1
  Ni  Ni110  1  0.317589  0.978398  0.705339  1
  Ni  Ni111  1  0.157587  0.290517  0.699071  1
  Ni  Ni112  1  0.705836  0.775623  0.721982  1
  Ni  Ni113  1  0.288714  0.512044  0.688038  1
  Ni  Ni114  1  0.813904  0.965792  0.705839  1
  Ni  Ni115  1  -0.000113  0.129941  0.703166  1
  Ni  Ni116  1  0.692242  0.606475  0.723297  1
  Ni  Ni117  1  0.642776  0.347695  0.687363  1
  Ni  Ni118  1  0.187294  0.812843  0.708513  1
  Ni  Ni119  1  0.508668  0.140495  0.700138  1
  Ni  Ni120  1  0.179617  0.646162  0.725090  1
  H  H121  1  0.358058  0.235378  0.271526  1
  H  H122  1  0.979788  0.702145  0.296407  1
  H  H123  1  0.276144  0.059724  0.279564  1
  H  H124  1  0.812932  0.538078  0.302588  1
  H  H125  1  0.601062  0.162111  0.326997  1
  H  H126  1  0.105114  0.612930  0.347071  1
  H  H127  1  0.248130  0.954709  0.319687  1
  H  H128  1  0.715338  0.433427  0.345260  1
  H  H129  1  0.654828  0.070560  0.373997  1
  H  H130  1  0.182183  0.522866  0.395496  1
  H  H131  1  0.345764  0.884304  0.371511  1
  H  H132  1  0.871210  0.338680  0.392931  1
  H  H133  1  0.708206  0.977133  0.420021  1
  H  H134  1  0.233218  0.429878  0.442076  1
  H  H135  1  0.407533  0.791306  0.417365  1
  H  H136  1  0.930449  0.245492  0.439545  1
  H  H137  1  0.763812  0.883518  0.465925  1
  H  H138  1  0.288262  0.337041  0.488378  1
  H  H139  1  0.460955  0.697910  0.463110  1
  H  H140  1  0.984717  0.151994  0.485661  1
  H  H141  1  0.818530  0.789943  0.511881  1
  H  H142  1  0.342292  0.244027  0.534432  1
  H  H143  1  0.514985  0.604896  0.509163  1
  H  H144  1  0.039435  0.058419  0.531616  1
  H  H145  1  0.872798  0.696445  0.557996  1
  H  H146  1  0.395714  0.150631  0.580176  1
  H  H147  1  0.570029  0.512059  0.555465  1
  H  H148  1  0.095041  0.964804  0.577521  1
  H  H149  1  0.932037  0.603257  0.604610  1
  H  H150  1  0.457483  0.057633  0.626030  1
  H  H151  1  0.621064  0.419071  0.602045  1
  H  H152  1  0.148419  0.871377  0.623545  1
  H  H153  1  0.087909  0.508510  0.652281  1
  H  H154  1  0.555117  0.987228  0.677855  1
  H  H155  1  0.698133  0.329007  0.650470  1
  H  H156  1  0.202185  0.779825  0.670544  1
  H  H157  1  0.990315  0.403859  0.694954  1
  H  H158  1  0.527103  0.882213  0.717977  1
  H  H159  1  0.823459  0.239792  0.701134  1
  H  H160  1  0.445189  0.706559  0.726015  1
