# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80795863
_cell_length_b   6.83578465
_cell_length_c   47.69949754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.64226961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni108 H36'
_cell_volume   2765.58782162
_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  0.657036  0.120012  0.294167  1
  Ni  Ni2  1  0.390547  0.024580  0.274073  1
  Ni  Ni3  1  0.894175  0.213925  0.322836  1
  Ni  Ni4  1  0.535998  0.627876  0.331405  1
  Ni  Ni5  1  0.271781  0.547793  0.307206  1
  Ni  Ni6  1  1.003873  0.454731  0.287017  1
  Ni  Ni7  1  0.523422  0.255690  0.334361  1
  Ni  Ni8  1  0.260922  0.174332  0.308786  1
  Ni  Ni9  1  0.009383  0.092963  0.284768  1
  Ni  Ni10  1  0.399003  0.902248  0.320585  1
  Ni  Ni11  1  0.137174  0.813561  0.294127  1
  Ni  Ni12  1  0.657229  0.991972  0.343813  1
  Ni  Ni13  1  0.494724  0.390214  0.288869  1
  Ni  Ni14  1  0.011223  0.589734  0.335492  1
  Ni  Ni15  1  0.758106  0.479613  0.309489  1
  Ni  Ni16  1  0.523654  0.759999  0.283896  1
  Ni  Ni17  1  0.031047  0.950228  0.333702  1
  Ni  Ni18  1  0.788631  0.838349  0.305348  1
  Ni  Ni19  1  0.404046  0.405567  0.371496  1
  Ni  Ni20  1  0.148739  0.319257  0.346166  1
  Ni  Ni21  1  0.659033  0.499695  0.398575  1
  Ni  Ni22  1  0.296649  0.922270  0.409382  1
  Ni  Ni23  1  0.040168  0.827725  0.384153  1
  Ni  Ni24  1  0.787530  0.730541  0.357483  1
  Ni  Ni25  1  0.286118  0.558095  0.410867  1
  Ni  Ni26  1  0.029492  0.463521  0.385535  1
  Ni  Ni27  1  0.774132  0.366287  0.360058  1
  Ni  Ni28  1  0.163596  0.193345  0.396485  1
  Ni  Ni29  1  0.908025  0.095964  0.371456  1
  Ni  Ni30  1  0.418794  0.285881  0.422046  1
  Ni  Ni31  1  0.270169  0.680088  0.360331  1
  Ni  Ni32  1  0.781733  0.862840  0.411691  1
  Ni  Ni33  1  0.527811  0.767330  0.384867  1
  Ni  Ni34  1  0.281508  0.042779  0.358513  1
  Ni  Ni35  1  0.795454  0.228410  0.410442  1
  Ni  Ni36  1  0.542209  0.131302  0.384168  1
  Ni  Ni37  1  0.172091  0.688887  0.450201  1
  Ni  Ni38  1  0.915189  0.594395  0.424665  1
  Ni  Ni39  1  0.427276  0.783613  0.476212  1
  Ni  Ni40  1  0.062995  0.205629  0.487071  1
  Ni  Ni41  1  0.807108  0.111884  0.461431  1
  Ni  Ni42  1  0.551484  0.017130  0.435502  1
  Ni  Ni43  1  0.051123  0.841257  0.488640  1
  Ni  Ni44  1  0.795035  0.747470  0.462956  1
  Ni  Ni45  1  0.539671  0.653029  0.436887  1
  Ni  Ni46  1  0.929680  0.475029  0.474291  1
  Ni  Ni47  1  0.673341  0.380640  0.448455  1
  Ni  Ni48  1  0.185644  0.569012  0.499968  1
  Ni  Ni49  1  0.038645  0.958500  0.437496  1
  Ni  Ni50  1  0.549484  0.147480  0.489286  1
  Ni  Ni51  1  0.294519  0.052588  0.463192  1
  Ni  Ni52  1  0.051441  0.322994  0.435976  1
  Ni  Ni53  1  0.561618  0.511934  0.487700  1
  Ni  Ni54  1  0.307006  0.416631  0.461624  1
  Ni  Ni55  1  0.938300  0.972591  0.527905  1
  Ni  Ni56  1  0.682336  0.878608  0.502228  1
  Ni  Ni57  1  0.194639  0.066981  0.553741  1
  Ni  Ni58  1  0.829335  0.489121  0.564700  1
  Ni  Ni59  1  0.573461  0.395032  0.539004  1
  Ni  Ni60  1  0.318496  0.300141  0.512910  1
  Ni  Ni61  1  0.816539  0.124627  0.566220  1
  Ni  Ni62  1  0.560975  0.030990  0.540572  1
  Ni  Ni63  1  0.306362  0.935687  0.514496  1
  Ni  Ni64  1  0.695890  0.758733  0.551995  1
  Ni  Ni65  1  0.440704  0.664008  0.525984  1
  Ni  Ni66  1  0.952791  0.853225  0.577531  1
  Ni  Ni67  1  0.804985  0.241991  0.515124  1
  Ni  Ni68  1  0.316496  0.430491  0.566694  1
  Ni  Ni69  1  0.060872  0.335736  0.540765  1
  Ni  Ni70  1  0.816857  0.606363  0.513556  1
  Ni  Ni71  1  0.328309  0.794592  0.565309  1
  Ni  Ni72  1  0.072945  0.700150  0.539240  1
  Ni  Ni73  1  0.704384  0.254276  0.605710  1
  Ni  Ni74  1  0.449186  0.161739  0.580150  1
  Ni  Ni75  1  0.959956  0.351657  0.630740  1
  Ni  Ni76  1  0.597811  0.767532  0.641865  1
  Ni  Ni77  1  0.340169  0.680290  0.617329  1
  Ni  Ni78  1  0.086247  0.584780  0.590505  1
  Ni  Ni79  1  0.586472  0.404842  0.643683  1
  Ni  Ni80  1  0.325771  0.316318  0.618028  1
  Ni  Ni81  1  0.072526  0.219211  0.591754  1
  Ni  Ni82  1  0.463934  0.042053  0.630700  1
  Ni  Ni83  1  0.208948  0.947926  0.603621  1
  Ni  Ni84  1  0.719241  0.128364  0.656030  1
  Ni  Ni85  1  0.571331  0.525350  0.592814  1
  Ni  Ni86  1  0.080451  0.717080  0.644713  1
  Ni  Ni87  1  0.827812  0.619895  0.618043  1
  Ni  Ni88  1  0.581862  0.889526  0.591329  1
  Ni  Ni89  1  0.093848  0.081334  0.642138  1
  Ni  Ni90  1  0.838488  0.984099  0.616661  1
  Ni  Ni91  1  0.468977  0.545373  0.681611  1
  Ni  Ni92  1  0.210751  0.455648  0.658383  1
  Ni  Ni93  1  0.730807  0.634060  0.708068  1
  Ni  Ni94  1  0.373256  0.057407  0.713327  1
  Ni  Ni95  1  0.109874  0.968007  0.692707  1
  Ni  Ni96  1  0.856757  0.857887  0.666704  1
  Ni  Ni97  1  0.344326  0.687622  0.718300  1
  Ni  Ni98  1  0.079349  0.609272  0.696848  1
  Ni  Ni99  1  0.836933  0.497393  0.668494  1
  Ni  Ni100  1  0.210944  0.327609  0.708029  1
  Ni  Ni101  1  0.973806  0.233695  0.679360  1
  Ni  Ni102  1  0.477433  0.423040  0.728122  1
  Ni  Ni103  1  0.331982  0.819744  0.670791  1
  Ni  Ni104  1  0.864107  0.992890  0.715179  1
  Ni  Ni105  1  0.596199  0.899827  0.694990  1
  Ni  Ni106  1  0.344558  0.191930  0.667834  1
  Ni  Ni107  1  0.858597  0.354657  0.717428  1
  Ni  Ni108  1  0.607058  0.273289  0.693410  1
  H  H109  1  0.373764  0.397261  0.326989  1
  H  H110  1  0.110625  0.310311  0.300760  1
  H  H111  1  0.848196  0.260960  0.285509  1
  H  H112  1  0.636037  0.613744  0.291021  1
  H  H113  1  0.193225  0.788595  0.329124  1
  H  H114  1  0.938740  0.653792  0.296111  1
  H  H115  1  0.118396  0.706202  0.412735  1
  H  H116  1  0.861320  0.612990  0.387237  1
  H  H117  1  0.606817  0.513134  0.361076  1
  H  H118  1  0.448771  0.931159  0.358141  1
  H  H119  1  0.961068  0.078652  0.408970  1
  H  H120  1  0.706230  0.980857  0.382413  1
  H  H121  1  0.884645  0.990480  0.490187  1
  H  H122  1  0.629044  0.896607  0.464368  1
  H  H123  1  0.373921  0.802019  0.438347  1
  H  H124  1  0.217492  0.172867  0.434222  1
  H  H125  1  0.727669  0.362375  0.486197  1
  H  H126  1  0.472463  0.266621  0.460049  1
  H  H127  1  0.650489  0.274753  0.567974  1
  H  H128  1  0.395518  0.180999  0.542147  1
  H  H129  1  0.140311  0.085245  0.515999  1
  H  H130  1  0.983335  0.457140  0.512009  1
  H  H131  1  0.494059  0.645602  0.563849  1
  H  H132  1  0.238937  0.551014  0.537828  1
  H  H133  1  0.419209  0.516462  0.644055  1
  H  H134  1  0.161750  0.466763  0.619783  1
  H  H135  1  0.906913  0.368968  0.593226  1
  H  H136  1  0.749584  0.741418  0.589461  1
  H  H137  1  0.261163  0.934487  0.641120  1
  H  H138  1  1.006661  0.834630  0.614958  1
  H  H139  1  0.231943  0.833877  0.711175  1
  H  H140  1  0.929241  0.793828  0.706085  1
  H  H141  1  0.674755  0.659026  0.673071  1
  H  H142  1  0.494217  0.050359  0.675207  1
  H  H143  1  0.019784  0.186660  0.716687  1
  H  H144  1  0.757355  0.137310  0.701436  1
