# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83473662
_cell_length_b   12.16795941
_cell_length_c   48.78777074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.09703275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni108 H36'
_cell_volume   2835.55011283
_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  0.346812  0.106045  0.302562  1
  Ni  Ni2  1  0.811649  0.634567  0.283676  1
  Ni  Ni3  1  0.617838  0.920335  0.291770  1
  Ni  Ni4  1  0.248110  0.423788  0.315687  1
  Ni  Ni5  1  0.848668  0.097615  0.313287  1
  Ni  Ni6  1  0.322026  0.601170  0.294201  1
  Ni  Ni7  1  0.541143  0.752261  0.317015  1
  Ni  Ni8  1  0.015844  0.271310  0.293707  1
  Ni  Ni9  1  0.102372  0.957612  0.282994  1
  Ni  Ni10  1  0.732627  0.455528  0.303731  1
  Ni  Ni11  1  0.040815  0.782054  0.304979  1
  Ni  Ni12  1  0.522431  0.273945  0.287565  1
  Ni  Ni13  1  0.497021  0.092987  0.352899  1
  Ni  Ni14  1  0.946256  0.606946  0.330289  1
  Ni  Ni15  1  0.775163  0.907093  0.340687  1
  Ni  Ni16  1  0.362960  0.397327  0.367869  1
  Ni  Ni17  1  0.998947  0.071270  0.363806  1
  Ni  Ni18  1  0.458184  0.576692  0.342137  1
  Ni  Ni19  1  0.672683  0.727583  0.367012  1
  Ni  Ni20  1  0.146010  0.245140  0.341300  1
  Ni  Ni21  1  0.252911  0.938651  0.329583  1
  Ni  Ni22  1  0.850565  0.431288  0.354230  1
  Ni  Ni23  1  0.163956  0.757353  0.354720  1
  Ni  Ni24  1  0.640613  0.274809  0.333825  1
  Ni  Ni25  1  0.618938  0.068281  0.404439  1
  Ni  Ni26  1  0.068398  0.584296  0.380077  1
  Ni  Ni27  1  0.902063  0.881795  0.391629  1
  Ni  Ni28  1  0.473588  0.368156  0.418754  1
  Ni  Ni29  1  0.121368  0.041291  0.415427  1
  Ni  Ni30  1  0.576137  0.552425  0.392383  1
  Ni  Ni31  1  0.794152  0.701536  0.417758  1
  Ni  Ni32  1  0.246906  0.216052  0.392242  1
  Ni  Ni33  1  0.383461  0.917878  0.379030  1
  Ni  Ni34  1  0.958548  0.403360  0.405212  1
  Ni  Ni35  1  0.288087  0.732954  0.405350  1
  Ni  Ni36  1  0.743191  0.244537  0.382637  1
  Ni  Ni37  1  0.734644  0.040635  0.455564  1
  Ni  Ni38  1  0.183262  0.556954  0.430493  1
  Ni  Ni39  1  0.020841  0.853967  0.442721  1
  Ni  Ni40  1  0.584965  0.338838  0.469353  1
  Ni  Ni41  1  0.238363  0.011896  0.466584  1
  Ni  Ni42  1  0.689277  0.524952  0.442867  1
  Ni  Ni43  1  0.909232  0.672814  0.468516  1
  Ni  Ni44  1  0.355579  0.187045  0.443092  1
  Ni  Ni45  1  0.503747  0.890265  0.429616  1
  Ni  Ni46  1  0.069308  0.374712  0.455914  1
  Ni  Ni47  1  0.403607  0.704520  0.456134  1
  Ni  Ni48  1  0.851801  0.216157  0.432599  1
  Ni  Ni49  1  0.849592  0.012436  0.506441  1
  Ni  Ni50  1  0.295938  0.527610  0.481109  1
  Ni  Ni51  1  0.135977  0.825151  0.493642  1
  Ni  Ni52  1  0.698581  0.309580  0.519994  1
  Ni  Ni53  1  0.353520  0.983145  0.517359  1
  Ni  Ni54  1  0.801539  0.495780  0.493473  1
  Ni  Ni55  1  0.022244  0.643256  0.519225  1
  Ni  Ni56  1  0.468590  0.158431  0.493893  1
  Ni  Ni57  1  0.619601  0.861287  0.480340  1
  Ni  Ni58  1  0.182205  0.345716  0.506692  1
  Ni  Ni59  1  0.516643  0.675087  0.506861  1
  Ni  Ni60  1  0.964662  0.187722  0.482975  1
  Ni  Ni61  1  0.962603  0.983822  0.557242  1
  Ni  Ni62  1  0.408950  0.498053  0.531818  1
  Ni  Ni63  1  0.248874  0.796155  0.544420  1
  Ni  Ni64  1  0.814435  0.280602  0.570718  1
  Ni  Ni65  1  0.466381  0.954710  0.567735  1
  Ni  Ni66  1  0.914575  0.466346  0.544200  1
  Ni  Ni67  1  0.134920  0.613912  0.569841  1
  Ni  Ni68  1  0.583538  0.130232  0.544770  1
  Ni  Ni69  1  0.733217  0.832028  0.530981  1
  Ni  Ni70  1  0.297341  0.316900  0.557613  1
  Ni  Ni71  1  0.628904  0.645915  0.557467  1
  Ni  Ni72  1  0.079819  0.158970  0.533750  1
  Ni  Ni73  1  0.071276  0.954815  0.608092  1
  Ni  Ni74  1  0.524030  0.469331  0.582576  1
  Ni  Ni75  1  0.359634  0.767506  0.595122  1
  Ni  Ni76  1  0.934721  0.252988  0.621304  1
  Ni  Ni77  1  0.574991  0.926330  0.617697  1
  Ni  Ni78  1  0.030095  0.437913  0.594984  1
  Ni  Ni79  1  0.249784  0.586571  0.620257  1
  Ni  Ni80  1  0.699244  0.102586  0.595895  1
  Ni  Ni81  1  0.844593  0.802711  0.581580  1
  Ni  Ni82  1  0.416119  0.289071  0.608705  1
  Ni  Ni83  1  0.742045  0.618441  0.607951  1
  Ni  Ni84  1  0.196814  0.129576  0.584907  1
  Ni  Ni85  1  0.172172  0.925726  0.659034  1
  Ni  Ni86  1  0.645499  0.443284  0.633322  1
  Ni  Ni87  1  0.467617  0.739579  0.646104  1
  Ni  Ni88  1  0.065271  0.232216  0.670751  1
  Ni  Ni89  1  0.677569  0.896058  0.666509  1
  Ni  Ni90  1  0.154226  0.413514  0.645614  1
  Ni  Ni91  1  0.371926  0.563921  0.670045  1
  Ni  Ni92  1  0.821161  0.077880  0.647435  1
  Ni  Ni93  1  0.955222  0.773539  0.632465  1
  Ni  Ni94  1  0.543019  0.263773  0.659647  1
  Ni  Ni95  1  0.859998  0.594174  0.658197  1
  Ni  Ni96  1  0.319234  0.099596  0.636528  1
  Ni  Ni97  1  0.302338  0.899557  0.706627  1
  Ni  Ni98  1  0.777039  0.418605  0.683319  1
  Ni  Ni99  1  0.585555  0.715338  0.696603  1
  Ni  Ni100  1  0.215810  0.213255  0.717340  1
  Ni  Ni101  1  0.795751  0.896922  0.712769  1
  Ni  Ni102  1  0.277367  0.388813  0.695355  1
  Ni  Ni103  1  0.506533  0.536300  0.716658  1
  Ni  Ni104  1  0.971369  0.064822  0.697772  1
  Ni  Ni105  1  0.070072  0.747079  0.684647  1
  Ni  Ni106  1  0.700344  0.250532  0.708564  1
  Ni  Ni107  1  0.996156  0.569697  0.706133  1
  Ni  Ni108  1  0.469514  0.073252  0.687047  1
  H  H109  1  0.371283  0.012735  0.271360  1
  H  H110  1  0.036056  0.529813  0.293178  1
  H  H111  1  0.329146  0.851238  0.293165  1
  H  H112  1  0.934740  0.352163  0.320733  1
  H  H113  1  0.578197  0.008987  0.319343  1
  H  H114  1  0.162007  0.500120  0.347760  1
  H  H115  1  0.466987  0.834584  0.347812  1
  H  H116  1  0.043800  0.322406  0.373170  1
  H  H117  1  0.705769  0.989523  0.372253  1
  H  H118  1  0.271881  0.475699  0.399276  1
  H  H119  1  0.589898  0.810052  0.398267  1
  H  H120  1  0.153870  0.294586  0.424100  1
  H  H121  1  0.824372  0.961838  0.423521  1
  H  H122  1  0.384559  0.447585  0.449959  1
  H  H123  1  0.706135  0.781756  0.448986  1
  H  H124  1  0.265751  0.266215  0.474894  1
  H  H125  1  0.938920  0.933305  0.474576  1
  H  H126  1  0.497788  0.418386  0.500615  1
  H  H127  1  0.820394  0.752480  0.499719  1
  H  H128  1  0.379262  0.237562  0.525758  1
  H  H129  1  0.052431  0.904651  0.525440  1
  H  H130  1  0.612047  0.389110  0.551348  1
  H  H131  1  0.933623  0.723282  0.550375  1
  H  H132  1  0.493810  0.209029  0.576813  1
  H  H133  1  0.164312  0.876281  0.576234  1
  H  H134  1  0.728284  0.360815  0.602067  1
  H  H135  1  0.046301  0.695167  0.601058  1
  H  H136  1  0.612413  0.181344  0.628081  1
  H  H137  1  0.274382  0.848461  0.627164  1
  H  H138  1  0.851195  0.336283  0.652522  1
  H  H139  1  0.156175  0.670747  0.652574  1
  H  H140  1  0.739984  0.161879  0.680990  1
  H  H141  1  0.383442  0.818704  0.679601  1
  H  H142  1  0.989036  0.319629  0.707169  1
  H  H143  1  0.282126  0.641054  0.707156  1
  H  H144  1  0.946899  0.158131  0.728974  1
