# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76975827
_cell_length_b   11.95900317
_cell_length_c   49.25521834
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.35236027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni144 H48'
_cell_volume   3963.19750724
_cell_formula_units_Z   48
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  0.627119  0.211862  0.326646  1
  Ni  Ni2  1  0.374408  0.190997  0.291670  1
  Ni  Ni3  1  0.127119  0.711862  0.326646  1
  Ni  Ni4  1  0.874408  0.690997  0.291670  1
  Ni  Ni5  1  0.773785  0.386545  0.303543  1
  Ni  Ni6  1  0.046717  0.406595  0.338292  1
  Ni  Ni7  1  0.273785  0.886545  0.303543  1
  Ni  Ni8  1  0.546717  0.906595  0.338292  1
  Ni  Ni9  1  0.853240  0.192417  0.291557  1
  Ni  Ni10  1  0.119621  0.210022  0.326765  1
  Ni  Ni11  1  0.353240  0.692417  0.291557  1
  Ni  Ni12  1  0.619621  0.710022  0.326765  1
  Ni  Ni13  1  0.569925  0.541952  0.295443  1
  Ni  Ni14  1  0.837068  0.561575  0.330996  1
  Ni  Ni15  1  0.069925  0.041952  0.295443  1
  Ni  Ni16  1  0.337068  0.061575  0.330996  1
  Ni  Ni17  1  0.408361  0.365011  0.319425  1
  Ni  Ni18  1  0.128026  0.342175  0.290482  1
  Ni  Ni19  1  0.908361  0.865011  0.319425  1
  Ni  Ni20  1  0.628026  0.842175  0.290482  1
  Ni  Ni21  1  0.344870  0.555283  0.332022  1
  Ni  Ni22  1  0.090103  0.535832  0.297093  1
  Ni  Ni23  1  0.844870  0.055283  0.332022  1
  Ni  Ni24  1  0.590103  0.035832  0.297093  1
  Ni  Ni25  1  0.145499  0.252885  0.398020  1
  Ni  Ni26  1  0.883652  0.232192  0.361536  1
  Ni  Ni27  1  0.645499  0.752885  0.398020  1
  Ni  Ni28  1  0.383652  0.732192  0.361536  1
  Ni  Ni29  1  0.310300  0.430090  0.374048  1
  Ni  Ni30  1  0.570752  0.452339  0.410580  1
  Ni  Ni31  1  0.810300  0.930090  0.374048  1
  Ni  Ni32  1  0.070752  0.952339  0.410580  1
  Ni  Ni33  1  0.376877  0.237772  0.361565  1
  Ni  Ni34  1  0.634744  0.259828  0.397368  1
  Ni  Ni35  1  0.876877  0.737772  0.361565  1
  Ni  Ni36  1  0.134744  0.759828  0.397368  1
  Ni  Ni37  1  0.094057  0.583570  0.366918  1
  Ni  Ni38  1  0.353800  0.606219  0.402922  1
  Ni  Ni39  1  0.594057  0.083570  0.366918  1
  Ni  Ni40  1  0.853800  0.106219  0.402922  1
  Ni  Ni41  1  0.929530  0.406587  0.390578  1
  Ni  Ni42  1  0.666787  0.387610  0.355050  1
  Ni  Ni43  1  0.429530  0.906587  0.390578  1
  Ni  Ni44  1  0.166787  0.887610  0.355050  1
  Ni  Ni45  1  0.867512  0.599200  0.404054  1
  Ni  Ni46  1  0.606389  0.578195  0.367936  1
  Ni  Ni47  1  0.367512  0.099200  0.404054  1
  Ni  Ni48  1  0.106389  0.078195  0.367936  1
  Ni  Ni49  1  0.667405  0.296531  0.470465  1
  Ni  Ni50  1  0.406820  0.274568  0.434252  1
  Ni  Ni51  1  0.167405  0.796531  0.470465  1
  Ni  Ni52  1  0.906820  0.774568  0.434252  1
  Ni  Ni53  1  0.831718  0.474293  0.446851  1
  Ni  Ni54  1  0.092191  0.496248  0.483084  1
  Ni  Ni55  1  0.331718  0.974293  0.446851  1
  Ni  Ni56  1  0.592191  0.996248  0.483084  1
  Ni  Ni57  1  0.893877  0.281837  0.433416  1
  Ni  Ni58  1  0.153793  0.303840  0.469480  1
  Ni  Ni59  1  0.393877  0.781837  0.433416  1
  Ni  Ni60  1  0.653793  0.803840  0.469480  1
  Ni  Ni61  1  0.614060  0.628076  0.439201  1
  Ni  Ni62  1  0.874633  0.650053  0.475398  1
  Ni  Ni63  1  0.114060  0.128076  0.439201  1
  Ni  Ni64  1  0.374633  0.150053  0.475398  1
  Ni  Ni65  1  0.450074  0.450403  0.462790  1
  Ni  Ni66  1  0.190168  0.428517  0.426577  1
  Ni  Ni67  1  0.950074  0.950403  0.462790  1
  Ni  Ni68  1  0.690168  0.928517  0.426577  1
  Ni  Ni69  1  0.388694  0.642821  0.476436  1
  Ni  Ni70  1  0.128442  0.620864  0.440238  1
  Ni  Ni71  1  0.888694  0.142821  0.476436  1
  Ni  Ni72  1  0.628442  0.120864  0.440238  1
  Ni  Ni73  1  0.188563  0.340495  0.542863  1
  Ni  Ni74  1  0.927991  0.318518  0.506666  1
  Ni  Ni75  1  0.688563  0.840495  0.542863  1
  Ni  Ni76  1  0.427991  0.818518  0.506666  1
  Ni  Ni77  1  0.352549  0.518167  0.519274  1
  Ni  Ni78  1  0.612456  0.540053  0.555487  1
  Ni  Ni79  1  0.852549  0.018167  0.519274  1
  Ni  Ni80  1  0.112456  0.040053  0.555487  1
  Ni  Ni81  1  0.413930  0.325750  0.505629  1
  Ni  Ni82  1  0.674182  0.347707  0.541827  1
  Ni  Ni83  1  0.913930  0.825750  0.505629  1
  Ni  Ni84  1  0.174182  0.847707  0.541827  1
  Ni  Ni85  1  0.135219  0.672039  0.511599  1
  Ni  Ni86  1  0.395804  0.694002  0.547812  1
  Ni  Ni87  1  0.635219  0.172039  0.511599  1
  Ni  Ni88  1  0.895804  0.194002  0.547812  1
  Ni  Ni89  1  0.970905  0.494278  0.535213  1
  Ni  Ni90  1  0.710433  0.472322  0.498980  1
  Ni  Ni91  1  0.470905  0.994278  0.535213  1
  Ni  Ni92  1  0.210433  0.972322  0.498980  1
  Ni  Ni93  1  0.908747  0.686734  0.548648  1
  Ni  Ni94  1  0.648830  0.664731  0.512584  1
  Ni  Ni95  1  0.408747  0.186734  0.548648  1
  Ni  Ni96  1  0.148830  0.164731  0.512584  1
  Ni  Ni97  1  0.708566  0.385000  0.615146  1
  Ni  Ni98  1  0.448824  0.362352  0.579142  1
  Ni  Ni99  1  0.208566  0.885000  0.615146  1
  Ni  Ni100  1  0.948824  0.862352  0.579142  1
  Ni  Ni101  1  0.873094  0.561984  0.591487  1
  Ni  Ni102  1  0.135836  0.580961  0.627014  1
  Ni  Ni103  1  0.373094  0.061984  0.591487  1
  Ni  Ni104  1  0.635836  0.080961  0.627014  1
  Ni  Ni105  1  0.935112  0.369370  0.578010  1
  Ni  Ni106  1  0.196234  0.390376  0.614128  1
  Ni  Ni107  1  0.435112  0.869370  0.578010  1
  Ni  Ni108  1  0.696234  0.890376  0.614128  1
  Ni  Ni109  1  0.657124  0.715686  0.584044  1
  Ni  Ni110  1  0.918972  0.736378  0.620528  1
  Ni  Ni111  1  0.157124  0.215686  0.584044  1
  Ni  Ni112  1  0.418972  0.236378  0.620528  1
  Ni  Ni113  1  0.492324  0.538481  0.608016  1
  Ni  Ni114  1  0.231872  0.516232  0.571484  1
  Ni  Ni115  1  0.992324  0.038481  0.608016  1
  Ni  Ni116  1  0.731872  0.016232  0.571484  1
  Ni  Ni117  1  0.425747  0.730799  0.620500  1
  Ni  Ni118  1  0.167879  0.708742  0.584696  1
  Ni  Ni119  1  0.925747  0.230799  0.620500  1
  Ni  Ni120  1  0.667879  0.208742  0.584696  1
  Ni  Ni121  1  0.232699  0.426618  0.686621  1
  Ni  Ni122  1  0.965555  0.406996  0.651068  1
  Ni  Ni123  1  0.732699  0.926618  0.686621  1
  Ni  Ni124  1  0.465555  0.906996  0.651068  1
  Ni  Ni125  1  0.394263  0.603560  0.662639  1
  Ni  Ni126  1  0.674597  0.626396  0.691582  1
  Ni  Ni127  1  0.894263  0.103560  0.662639  1
  Ni  Ni128  1  0.174597  0.126396  0.691582  1
  Ni  Ni129  1  0.457754  0.413288  0.650042  1
  Ni  Ni130  1  0.712521  0.432739  0.684971  1
  Ni  Ni131  1  0.957754  0.913288  0.650042  1
  Ni  Ni132  1  0.212521  0.932739  0.684971  1
  Ni  Ni133  1  0.175505  0.756708  0.655418  1
  Ni  Ni134  1  0.428215  0.777573  0.690395  1
  Ni  Ni135  1  0.675505  0.256708  0.655418  1
  Ni  Ni136  1  0.928215  0.277573  0.690395  1
  Ni  Ni137  1  0.028839  0.582025  0.678521  1
  Ni  Ni138  1  0.755907  0.561976  0.643772  1
  Ni  Ni139  1  0.528839  0.082025  0.678521  1
  Ni  Ni140  1  0.255907  0.061976  0.643772  1
  Ni  Ni141  1  0.949384  0.776153  0.690507  1
  Ni  Ni142  1  0.683003  0.758548  0.655299  1
  Ni  Ni143  1  0.449384  0.276153  0.690507  1
  Ni  Ni144  1  0.183003  0.258548  0.655299  1
  H  H145  1  0.593754  0.274170  0.293228  1
  H  H146  1  0.916409  0.287636  0.316957  1
  H  H147  1  0.093754  0.774170  0.293228  1
  H  H148  1  0.416409  0.787636  0.316957  1
  H  H149  1  0.599082  0.479145  0.326224  1
  H  H150  1  0.306988  0.465674  0.294775  1
  H  H151  1  0.099082  0.979145  0.326224  1
  H  H152  1  0.806988  0.965674  0.294775  1
  H  H153  1  0.126988  0.310056  0.362849  1
  H  H154  1  0.388509  0.333628  0.399166  1
  H  H155  1  0.626988  0.810056  0.362849  1
  H  H156  1  0.888509  0.833628  0.399166  1
  H  H157  1  0.110377  0.526111  0.402309  1
  H  H158  1  0.848153  0.505092  0.366385  1
  H  H159  1  0.610377  0.026111  0.402309  1
  H  H160  1  0.348153  0.005092  0.366385  1
  H  H161  1  0.649702  0.355334  0.435264  1
  H  H162  1  0.910197  0.377212  0.471443  1
  H  H163  1  0.149702  0.855334  0.435264  1
  H  H164  1  0.410197  0.877212  0.471443  1
  H  H165  1  0.631957  0.569481  0.474439  1
  H  H166  1  0.371822  0.547528  0.438203  1
  H  H167  1  0.131957  0.069481  0.474439  1
  H  H168  1  0.871822  0.047528  0.438203  1
  H  H169  1  0.170666  0.399089  0.507625  1
  H  H170  1  0.430802  0.421043  0.543861  1
  H  H171  1  0.670666  0.899089  0.507625  1
  H  H172  1  0.930802  0.921043  0.543861  1
  H  H173  1  0.152922  0.613237  0.546800  1
  H  H174  1  0.892427  0.591358  0.510621  1
  H  H175  1  0.652922  0.113237  0.546800  1
  H  H176  1  0.392427  0.091358  0.510621  1
  H  H177  1  0.692247  0.442460  0.579755  1
  H  H178  1  0.954471  0.463479  0.615679  1
  H  H179  1  0.192247  0.942460  0.579755  1
  H  H180  1  0.454471  0.963479  0.615679  1
  H  H181  1  0.675636  0.658515  0.619215  1
  H  H182  1  0.414114  0.634943  0.582898  1
  H  H183  1  0.175636  0.158515  0.619215  1
  H  H184  1  0.914114  0.134943  0.582898  1
  H  H185  1  0.203542  0.489425  0.655841  1
  H  H186  1  0.495636  0.502896  0.687289  1
  H  H187  1  0.703542  0.989425  0.655841  1
  H  H188  1  0.995636  1.002896  0.687289  1
  H  H189  1  0.208870  0.694401  0.688836  1
  H  H190  1  0.886214  0.680934  0.665107  1
  H  H191  1  0.708870  0.194401  0.688836  1
  H  H192  1  0.386214  0.180934  0.665107  1
