# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82673341
_cell_length_b   7.85140822
_cell_length_c   46.62034415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.96558565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni132 H44'
_cell_volume   3529.94833612
_cell_formula_units_Z   44
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  0.119601  0.169759  0.297647  1
  Ni  Ni2  1  0.619601  0.169759  0.297647  1
  Ni  Ni3  1  0.171827  0.601031  0.303754  1
  Ni  Ni4  1  0.671827  0.601031  0.303754  1
  Ni  Ni5  1  0.337817  0.271173  0.304838  1
  Ni  Ni6  1  0.837817  0.271173  0.304838  1
  Ni  Ni7  1  0.505921  0.935767  0.303038  1
  Ni  Ni8  1  0.005921  0.935767  0.303038  1
  Ni  Ni9  1  0.450936  0.501421  0.297986  1
  Ni  Ni10  1  0.950936  0.501421  0.297986  1
  Ni  Ni11  1  0.285405  0.831238  0.297412  1
  Ni  Ni12  1  0.785405  0.831238  0.297412  1
  Ni  Ni13  1  0.128936  0.379052  0.335784  1
  Ni  Ni14  1  0.628936  0.379052  0.335784  1
  Ni  Ni15  1  0.185477  0.814157  0.342767  1
  Ni  Ni16  1  0.685477  0.814157  0.342767  1
  Ni  Ni17  1  0.351447  0.482541  0.343684  1
  Ni  Ni18  1  0.851447  0.482541  0.343684  1
  Ni  Ni19  1  0.519178  0.149469  0.342615  1
  Ni  Ni20  1  0.019178  0.149469  0.342615  1
  Ni  Ni21  1  0.461393  0.711765  0.335906  1
  Ni  Ni22  1  0.961393  0.711765  0.335906  1
  Ni  Ni23  1  0.295016  0.045171  0.335781  1
  Ni  Ni24  1  0.795016  0.045171  0.335781  1
  Ni  Ni25  1  0.138557  0.588445  0.375558  1
  Ni  Ni26  1  0.638557  0.588445  0.375558  1
  Ni  Ni27  1  0.197241  0.023956  0.383343  1
  Ni  Ni28  1  0.697241  0.023956  0.383343  1
  Ni  Ni29  1  0.363569  0.690866  0.383888  1
  Ni  Ni30  1  0.863569  0.690866  0.383888  1
  Ni  Ni31  1  0.530666  0.358749  0.383005  1
  Ni  Ni32  1  0.030666  0.358749  0.383005  1
  Ni  Ni33  1  0.470640  0.922177  0.376605  1
  Ni  Ni34  1  0.970640  0.922177  0.376605  1
  Ni  Ni35  1  0.305324  0.257282  0.375242  1
  Ni  Ni36  1  0.805324  0.257282  0.375242  1
  Ni  Ni37  1  0.149370  0.797874  0.417425  1
  Ni  Ni38  1  0.649370  0.797874  0.417425  1
  Ni  Ni39  1  0.209252  0.233767  0.423915  1
  Ni  Ni40  1  0.709252  0.233767  0.423915  1
  Ni  Ni41  1  0.374154  0.900031  0.425136  1
  Ni  Ni42  1  0.874154  0.900031  0.425136  1
  Ni  Ni43  1  0.541624  0.568027  0.423792  1
  Ni  Ni44  1  0.041624  0.568027  0.423792  1
  Ni  Ni45  1  0.481055  0.132942  0.417700  1
  Ni  Ni46  1  0.981055  0.132942  0.417700  1
  Ni  Ni47  1  0.316256  0.466668  0.416068  1
  Ni  Ni48  1  0.816256  0.466668  0.416068  1
  Ni  Ni49  1  0.160872  0.008187  0.458521  1
  Ni  Ni50  1  0.660872  0.008187  0.458521  1
  Ni  Ni51  1  0.220485  0.443759  0.464774  1
  Ni  Ni52  1  0.720485  0.443759  0.464774  1
  Ni  Ni53  1  0.385412  0.109977  0.466168  1
  Ni  Ni54  1  0.885412  0.109977  0.466168  1
  Ni  Ni55  1  0.552066  0.777572  0.465146  1
  Ni  Ni56  1  0.052066  0.777572  0.465146  1
  Ni  Ni57  1  0.493121  0.342821  0.458536  1
  Ni  Ni58  1  0.993121  0.342821  0.458536  1
  Ni  Ni59  1  0.328166  0.675836  0.457428  1
  Ni  Ni60  1  0.828166  0.675836  0.457428  1
  Ni  Ni61  1  0.172389  0.218370  0.499443  1
  Ni  Ni62  1  0.672389  0.218370  0.499443  1
  Ni  Ni63  1  0.231499  0.653424  0.505942  1
  Ni  Ni64  1  0.731499  0.653424  0.505942  1
  Ni  Ni65  1  0.396946  0.320072  0.507055  1
  Ni  Ni66  1  0.896946  0.320072  0.507055  1
  Ni  Ni67  1  0.563623  0.987423  0.506194  1
  Ni  Ni68  1  0.063623  0.987423  0.506194  1
  Ni  Ni69  1  0.504513  0.552369  0.499695  1
  Ni  Ni70  1  0.004513  0.552369  0.499695  1
  Ni  Ni71  1  0.339067  0.885721  0.498582  1
  Ni  Ni72  1  0.839067  0.885721  0.498582  1
  Ni  Ni73  1  0.183946  0.428221  0.540491  1
  Ni  Ni74  1  0.683946  0.428221  0.540491  1
  Ni  Ni75  1  0.242892  0.862971  0.547101  1
  Ni  Ni76  1  0.742892  0.862971  0.547101  1
  Ni  Ni77  1  0.407847  0.529957  0.548209  1
  Ni  Ni78  1  0.907847  0.529957  0.548209  1
  Ni  Ni79  1  0.575140  0.197606  0.547116  1
  Ni  Ni80  1  0.075140  0.197606  0.547116  1
  Ni  Ni81  1  0.515528  0.762034  0.540863  1
  Ni  Ni82  1  0.015528  0.762034  0.540863  1
  Ni  Ni83  1  0.350601  0.095815  0.539469  1
  Ni  Ni84  1  0.850601  0.095815  0.539469  1
  Ni  Ni85  1  0.194388  0.637766  0.581845  1
  Ni  Ni86  1  0.694388  0.637766  0.581845  1
  Ni  Ni87  1  0.254957  0.072851  0.587937  1
  Ni  Ni88  1  0.754957  0.072851  0.587937  1
  Ni  Ni89  1  0.419756  0.739124  0.589569  1
  Ni  Ni90  1  0.919756  0.739124  0.589569  1
  Ni  Ni91  1  0.586643  0.407919  0.588212  1
  Ni  Ni92  1  0.086643  0.407919  0.588212  1
  Ni  Ni93  1  0.526760  0.972026  0.581722  1
  Ni  Ni94  1  0.026760  0.972026  0.581722  1
  Ni  Ni95  1  0.361858  0.305762  0.580501  1
  Ni  Ni96  1  0.861858  0.305762  0.580501  1
  Ni  Ni97  1  0.205346  0.847044  0.622632  1
  Ni  Ni98  1  0.705346  0.847044  0.622632  1
  Ni  Ni99  1  0.265373  0.283615  0.629032  1
  Ni  Ni100  1  0.765373  0.283615  0.629032  1
  Ni  Ni101  1  0.430689  0.948511  0.630395  1
  Ni  Ni102  1  0.930689  0.948511  0.630395  1
  Ni  Ni103  1  0.597456  0.617348  0.630079  1
  Ni  Ni104  1  0.097456  0.617348  0.630079  1
  Ni  Ni105  1  0.538771  0.181836  0.622294  1
  Ni  Ni106  1  0.038771  0.181836  0.622294  1
  Ni  Ni107  1  0.372444  0.514927  0.621749  1
  Ni  Ni108  1  0.872444  0.514927  0.621749  1
  Ni  Ni109  1  0.216835  0.056324  0.663022  1
  Ni  Ni110  1  0.716835  0.056324  0.663022  1
  Ni  Ni111  1  0.274620  0.494028  0.669731  1
  Ni  Ni112  1  0.774620  0.494028  0.669731  1
  Ni  Ni113  1  0.440996  0.160622  0.669856  1
  Ni  Ni114  1  0.940996  0.160622  0.669856  1
  Ni  Ni115  1  0.607077  0.826741  0.669853  1
  Ni  Ni116  1  0.107077  0.826741  0.669853  1
  Ni  Ni117  1  0.550536  0.391636  0.662870  1
  Ni  Ni118  1  0.050536  0.391636  0.662870  1
  Ni  Ni119  1  0.384565  0.723251  0.661953  1
  Ni  Ni120  1  0.884565  0.723251  0.661953  1
  Ni  Ni121  1  0.230091  0.270025  0.702599  1
  Ni  Ni122  1  0.730091  0.270025  0.702599  1
  Ni  Ni123  1  0.285076  0.704372  0.707651  1
  Ni  Ni124  1  0.785076  0.704372  0.707651  1
  Ni  Ni125  1  0.450607  0.374555  0.708225  1
  Ni  Ni126  1  0.950607  0.374555  0.708225  1
  Ni  Ni127  1  0.616411  0.036034  0.707990  1
  Ni  Ni128  1  0.116411  0.036034  0.707990  1
  Ni  Ni129  1  0.564185  0.604761  0.701883  1
  Ni  Ni130  1  0.064185  0.604761  0.701883  1
  Ni  Ni131  1  0.398195  0.934619  0.700799  1
  Ni  Ni132  1  0.898195  0.934619  0.700799  1
  H  H133  1  0.148057  0.375459  0.295873  1
  H  H134  1  0.648057  0.375459  0.295873  1
  H  H135  1  0.476427  0.726475  0.295849  1
  H  H136  1  0.976427  0.726475  0.295849  1
  H  H137  1  0.291382  0.634378  0.281991  1
  H  H138  1  0.791382  0.634378  0.281991  1
  H  H139  1  0.489794  0.931302  0.338182  1
  H  H140  1  0.989794  0.931302  0.338182  1
  H  H141  1  0.170623  0.798871  0.380094  1
  H  H142  1  0.670623  0.798871  0.380094  1
  H  H143  1  0.497524  0.144912  0.380129  1
  H  H144  1  0.997524  0.144912  0.380129  1
  H  H145  1  0.181454  0.010459  0.421021  1
  H  H146  1  0.681454  0.010459  0.421021  1
  H  H147  1  0.508692  0.355934  0.420753  1
  H  H148  1  0.008692  0.355934  0.420753  1
  H  H149  1  0.193110  0.220835  0.461742  1
  H  H150  1  0.693110  0.220835  0.461742  1
  H  H151  1  0.520377  0.565415  0.461696  1
  H  H152  1  0.020377  0.565415  0.461696  1
  H  H153  1  0.204642  0.430685  0.502698  1
  H  H154  1  0.704642  0.430685  0.502698  1
  H  H155  1  0.531370  0.775108  0.502939  1
  H  H156  1  0.031370  0.775108  0.502939  1
  H  H157  1  0.215635  0.640378  0.543941  1
  H  H158  1  0.715635  0.640378  0.543941  1
  H  H159  1  0.542903  0.984958  0.543895  1
  H  H160  1  0.042903  0.984958  0.543895  1
  H  H161  1  0.227321  0.849859  0.584884  1
  H  H162  1  0.727321  0.849859  0.584884  1
  H  H163  1  0.554559  0.195334  0.584616  1
  H  H164  1  0.054559  0.195334  0.584616  1
  H  H165  1  0.238488  0.060881  0.625508  1
  H  H166  1  0.738488  0.060881  0.625508  1
  H  H167  1  0.565390  0.406922  0.625543  1
  H  H168  1  0.065390  0.406922  0.625543  1
  H  H169  1  0.246218  0.274491  0.667455  1
  H  H170  1  0.746218  0.274491  0.667455  1
  H  H171  1  0.444630  0.571415  0.723646  1
  H  H172  1  0.944630  0.571415  0.723646  1
  H  H173  1  0.259585  0.479317  0.709788  1
  H  H174  1  0.759585  0.479317  0.709788  1
  H  H175  1  0.587956  0.830334  0.709764  1
  H  H176  1  0.087956  0.830334  0.709764  1
