# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95663589
_cell_length_b   6.55199405
_cell_length_c   45.54573269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.95242999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni108 H36'
_cell_volume   2825.02838191
_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  0.016132  0.670894  0.282164  1
  Ni  Ni2  1  0.507133  0.741357  0.302110  1
  Ni  Ni3  1  0.056712  0.147732  0.307205  1
  Ni  Ni4  1  0.585038  0.072318  0.286916  1
  Ni  Ni5  1  0.227355  0.787277  0.301954  1
  Ni  Ni6  1  0.749324  0.712068  0.280855  1
  Ni  Ni7  1  0.412648  0.432188  0.293872  1
  Ni  Ni8  1  0.894708  0.507116  0.317908  1
  Ni  Ni9  1  0.336785  0.102695  0.308836  1
  Ni  Ni10  1  0.848595  0.021760  0.289349  1
  Ni  Ni11  1  0.168636  0.459538  0.319266  1
  Ni  Ni12  1  0.684110  0.384845  0.295694  1
  Ni  Ni13  1  0.997958  0.824816  0.329527  1
  Ni  Ni14  1  0.482855  0.905947  0.352129  1
  Ni  Ni15  1  0.043994  0.316779  0.359210  1
  Ni  Ni16  1  0.555041  0.235884  0.335099  1
  Ni  Ni17  1  0.210815  0.957054  0.350324  1
  Ni  Ni18  1  0.723955  0.873370  0.328400  1
  Ni  Ni19  1  0.381198  0.597691  0.342333  1
  Ni  Ni20  1  0.873857  0.679374  0.368507  1
  Ni  Ni21  1  0.314796  0.264023  0.360984  1
  Ni  Ni22  1  0.824703  0.186260  0.337278  1
  Ni  Ni23  1  0.148103  0.629814  0.369819  1
  Ni  Ni24  1  0.653791  0.550642  0.344331  1
  Ni  Ni25  1  0.977449  0.988792  0.379339  1
  Ni  Ni26  1  0.463498  0.070295  0.404234  1
  Ni  Ni27  1  0.022708  0.485271  0.410603  1
  Ni  Ni28  1  0.532281  0.403410  0.385233  1
  Ni  Ni29  1  0.189872  0.120927  0.402140  1
  Ni  Ni30  1  0.702355  0.039706  0.378071  1
  Ni  Ni31  1  0.359132  0.765124  0.392860  1
  Ni  Ni32  1  0.851353  0.847726  0.419475  1
  Ni  Ni33  1  0.292901  0.431251  0.412891  1
  Ni  Ni34  1  0.803218  0.350907  0.387859  1
  Ni  Ni35  1  0.125353  0.796233  0.421179  1
  Ni  Ni36  1  0.633969  0.715548  0.395069  1
  Ni  Ni37  1  0.954551  0.154207  0.430393  1
  Ni  Ni38  1  0.442551  0.236588  0.455731  1
  Ni  Ni39  1  1.000382  0.651530  0.461861  1
  Ni  Ni40  1  0.510177  0.569930  0.436024  1
  Ni  Ni41  1  0.168095  0.286990  0.453664  1
  Ni  Ni42  1  0.679290  0.205632  0.428664  1
  Ni  Ni43  1  0.337979  0.930384  0.444378  1
  Ni  Ni44  1  0.828242  0.013809  0.470454  1
  Ni  Ni45  1  0.271207  0.597801  0.464290  1
  Ni  Ni46  1  0.781542  0.516556  0.438757  1
  Ni  Ni47  1  0.102990  0.962204  0.472347  1
  Ni  Ni48  1  0.613131  0.880303  0.446477  1
  Ni  Ni49  1  0.931935  0.319821  0.481404  1
  Ni  Ni50  1  0.420994  0.402883  0.507076  1
  Ni  Ni51  1  0.978010  0.817440  0.512995  1
  Ni  Ni52  1  0.488289  0.735559  0.487241  1
  Ni  Ni53  1  0.146212  0.453182  0.505020  1
  Ni  Ni54  1  0.656785  0.371450  0.479465  1
  Ni  Ni55  1  0.316459  0.096492  0.495767  1
  Ni  Ni56  1  0.805518  0.179555  0.521440  1
  Ni  Ni57  1  0.249164  0.763817  0.515603  1
  Ni  Ni58  1  0.759442  0.681935  0.489849  1
  Ni  Ni59  1  0.080668  0.127926  0.523378  1
  Ni  Ni60  1  0.591241  0.046193  0.497823  1
  Ni  Ni61  1  0.909211  0.485567  0.532390  1
  Ni  Ni62  1  0.399473  0.568992  0.558465  1
  Ni  Ni63  1  0.955910  0.982820  0.564086  1
  Ni  Ni64  1  0.466246  0.901575  0.538554  1
  Ni  Ni65  1  0.124322  0.619073  0.556367  1
  Ni  Ni66  1  0.634463  0.537172  0.530497  1
  Ni  Ni67  1  0.294902  0.262787  0.547113  1
  Ni  Ni68  1  0.782902  0.345169  0.572450  1
  Ni  Ni69  1  0.227276  0.929445  0.566820  1
  Ni  Ni70  1  0.737070  0.847846  0.540982  1
  Ni  Ni71  1  0.058163  0.293744  0.574180  1
  Ni  Ni72  1  0.569358  0.212386  0.549179  1
  Ni  Ni73  1  0.886100  0.651649  0.583369  1
  Ni  Ni74  1  0.378321  0.734252  0.609983  1
  Ni  Ni75  1  0.934235  0.148469  0.614985  1
  Ni  Ni76  1  0.444552  0.068125  0.589953  1
  Ni  Ni77  1  0.103484  0.783828  0.607775  1
  Ni  Ni78  1  0.612099  0.703143  0.581665  1
  Ni  Ni79  1  0.273955  0.429081  0.598610  1
  Ni  Ni80  1  0.760004  0.510583  0.623504  1
  Ni  Ni81  1  0.205172  0.095966  0.617610  1
  Ni  Ni82  1  0.714744  0.014105  0.592240  1
  Ni  Ni83  1  0.035098  0.459670  0.624773  1
  Ni  Ni84  1  0.547581  0.378448  0.600704  1
  Ni  Ni85  1  0.863596  0.820001  0.634337  1
  Ni  Ni86  1  0.356255  0.901685  0.660511  1
  Ni  Ni87  1  0.912750  0.313116  0.665566  1
  Ni  Ni88  1  0.422657  0.235353  0.641860  1
  Ni  Ni89  1  0.083662  0.948734  0.658513  1
  Ni  Ni90  1  0.589350  0.869562  0.633025  1
  Ni  Ni91  1  0.254598  0.593428  0.650715  1
  Ni  Ni92  1  0.739495  0.674559  0.673316  1
  Ni  Ni93  1  0.182412  0.263492  0.667745  1
  Ni  Ni94  1  0.693459  0.182597  0.643634  1
  Ni  Ni95  1  0.013498  0.626005  0.674443  1
  Ni  Ni96  1  0.526638  0.542321  0.652520  1
  Ni  Ni97  1  0.842744  0.992260  0.684936  1
  Ni  Ni98  1  0.324805  0.067188  0.708972  1
  Ni  Ni99  1  0.888858  0.477616  0.713494  1
  Ni  Ni100  1  0.400667  0.396680  0.694008  1
  Ni  Ni101  1  0.053343  0.114531  0.707150  1
  Ni  Ni102  1  0.568817  0.039838  0.683577  1
  Ni  Ni103  1  0.230320  0.758018  0.700734  1
  Ni  Ni104  1  0.721321  0.828481  0.720680  1
  Ni  Ni105  1  0.152415  0.427057  0.715927  1
  Ni  Ni106  1  0.680741  0.351643  0.695638  1
  Ni  Ni107  1  0.988129  0.787307  0.721989  1
  Ni  Ni108  1  0.510098  0.712099  0.700890  1
  H  H109  1  0.045960  0.900210  0.289281  1
  H  H110  1  0.526223  0.979781  0.315758  1
  H  H111  1  0.419454  0.208853  0.273438  1
  H  H112  1  0.870193  0.266864  0.297021  1
  H  H113  1  0.021954  0.074771  0.342037  1
  H  H114  1  0.510843  0.145061  0.369271  1
  H  H115  1  0.355714  0.347315  0.324175  1
  H  H116  1  0.844864  0.437800  0.352428  1
  H  H117  1  0.999836  0.234179  0.394866  1
  H  H118  1  0.489545  0.313971  0.420492  1
  H  H119  1  0.337193  0.514245  0.377367  1
  H  H120  1  0.824115  0.604411  0.403559  1
  H  H121  1  0.978148  0.399781  0.446084  1
  H  H122  1  0.467374  0.481674  0.471599  1
  H  H123  1  0.314871  0.684294  0.428531  1
  H  H124  1  0.802945  0.769398  0.454558  1
  H  H125  1  0.956341  0.564895  0.497213  1
  H  H126  1  0.445030  0.648289  0.522911  1
  H  H127  1  0.292423  0.851086  0.479932  1
  H  H128  1  0.781112  0.934481  0.505631  1
  H  H129  1  0.934508  0.729978  0.548286  1
  H  H130  1  0.422582  0.815082  0.574313  1
  H  H131  1  0.270079  0.017702  0.531245  1
  H  H132  1  0.759305  0.099595  0.556760  1
  H  H133  1  0.913338  0.894965  0.599284  1
  H  H134  1  0.400259  0.985130  0.625477  1
  H  H135  1  0.247908  0.185404  0.582352  1
  H  H136  1  0.737617  0.265197  0.607978  1
  H  H137  1  0.892589  0.061575  0.650415  1
  H  H138  1  0.381739  0.152061  0.678668  1
  H  H139  1  0.226609  0.354315  0.633573  1
  H  H140  1  0.715498  0.424604  0.660806  1
  H  H141  1  0.867260  0.232512  0.705822  1
  H  H142  1  0.317999  0.290522  0.729405  1
  H  H143  1  0.211230  0.519595  0.687086  1
  H  H144  1  0.691493  0.599166  0.713563  1
