# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79517377
_cell_length_b   8.48359187
_cell_length_c   49.88978629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.38254888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni126 H42'
_cell_volume   3416.80060125
_cell_formula_units_Z   42
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  0.386848  0.226744  0.289755  1
  Ni  Ni2  1  0.121402  0.124677  0.310876  1
  Ni  Ni3  1  0.658860  0.339129  0.271875  1
  Ni  Ni4  1  0.397439  0.930188  0.281328  1
  Ni  Ni5  1  0.098517  0.825445  0.297343  1
  Ni  Ni6  1  0.808641  0.702945  0.316907  1
  Ni  Ni7  1  0.479050  0.067783  0.321719  1
  Ni  Ni8  1  0.032850  0.298349  0.281483  1
  Ni  Ni9  1  0.747034  0.166365  0.298869  1
  Ni  Ni10  1  0.285802  0.443706  0.308641  1
  Ni  Ni11  1  0.998925  0.333940  0.328713  1
  Ni  Ni12  1  0.554195  0.561486  0.287799  1
  Ni  Ni13  1  0.317189  0.736453  0.322886  1
  Ni  Ni14  1  0.878376  0.955903  0.285901  1
  Ni  Ni15  1  0.597552  0.844101  0.304245  1
  Ni  Ni16  1  0.212814  0.618658  0.279222  1
  Ni  Ni17  1  0.917383  0.505121  0.295858  1
  Ni  Ni18  1  0.641198  0.385471  0.319241  1
  Ni  Ni19  1  0.563142  0.892475  0.352633  1
  Ni  Ni20  1  0.283855  0.775723  0.372780  1
  Ni  Ni21  1  0.842484  1.011658  0.332147  1
  Ni  Ni22  1  0.531128  0.594425  0.338498  1
  Ni  Ni23  1  0.251762  0.481814  0.358409  1
  Ni  Ni24  1  0.976057  0.367283  0.379542  1
  Ni  Ni25  1  0.647523  0.719347  0.382955  1
  Ni  Ni26  1  0.200869  0.948573  0.340699  1
  Ni  Ni27  1  0.923680  0.833720  0.361147  1
  Ni  Ni28  1  0.446969  0.098020  0.371493  1
  Ni  Ni29  1  0.169591  0.984002  0.391793  1
  Ni  Ni30  1  0.727107  0.216321  0.349676  1
  Ni  Ni31  1  0.481849  0.395700  0.385116  1
  Ni  Ni32  1  0.038900  0.626772  0.341315  1
  Ni  Ni33  1  0.761793  0.511919  0.363618  1
  Ni  Ni34  1  0.369607  0.272971  0.340425  1
  Ni  Ni35  1  0.091071  0.159704  0.360537  1
  Ni  Ni36  1  0.813689  0.043520  0.381935  1
  Ni  Ni37  1  0.730768  0.544842  0.414692  1
  Ni  Ni38  1  0.451738  0.427928  0.435721  1
  Ni  Ni39  1  1.007766  0.660901  0.393290  1
  Ni  Ni40  1  0.696835  0.252051  0.400087  1
  Ni  Ni41  1  0.420399  0.134422  0.422083  1
  Ni  Ni42  1  0.142916  0.018883  0.442904  1
  Ni  Ni43  1  0.808981  0.367623  0.445800  1
  Ni  Ni44  1  0.366948  0.602388  0.403853  1
  Ni  Ni45  1  0.087772  0.485976  0.424859  1
  Ni  Ni46  1  0.615275  0.750659  0.433842  1
  Ni  Ni47  1  0.336168  0.634468  0.454702  1
  Ni  Ni48  1  0.893844  0.867833  0.412787  1
  Ni  Ni49  1  0.644220  0.043315  0.448105  1
  Ni  Ni50  1  0.202190  0.278195  0.405950  1
  Ni  Ni51  1  0.923138  0.160927  0.427057  1
  Ni  Ni52  1  0.534949  0.926211  0.402864  1
  Ni  Ni53  1  0.256178  0.810628  0.423493  1
  Ni  Ni54  1  0.978600  0.693684  0.444413  1
  Ni  Ni55  1  0.892970  0.193136  0.477779  1
  Ni  Ni56  1  0.615193  0.075017  0.498905  1
  Ni  Ni57  1  0.172038  0.311063  0.456650  1
  Ni  Ni58  1  0.864521  0.901209  0.463639  1
  Ni  Ni59  1  0.585477  0.782354  0.484654  1
  Ni  Ni60  1  0.306885  0.665316  0.505552  1
  Ni  Ni61  1  0.971902  0.016214  0.509182  1
  Ni  Ni62  1  0.531933  0.252054  0.467341  1
  Ni  Ni63  1  0.252299  0.134712  0.488394  1
  Ni  Ni64  1  0.779486  0.399072  0.496817  1
  Ni  Ni65  1  0.500418  0.281145  0.517946  1
  Ni  Ni66  1  0.057263  0.517191  0.475691  1
  Ni  Ni67  1  0.807935  0.690999  0.510956  1
  Ni  Ni68  1  0.365571  0.926892  0.469043  1
  Ni  Ni69  1  0.086979  0.809854  0.489942  1
  Ni  Ni70  1  0.700554  0.575994  0.465414  1
  Ni  Ni71  1  0.420157  0.457496  0.486202  1
  Ni  Ni72  1  0.140523  0.340154  0.507255  1
  Ni  Ni73  1  0.057180  0.841549  0.540754  1
  Ni  Ni74  1  0.778612  0.724375  0.561809  1
  Ni  Ni75  1  0.336287  0.957740  0.519894  1
  Ni  Ni76  1  0.028235  0.548893  0.526491  1
  Ni  Ni77  1  0.749318  0.431281  0.547539  1
  Ni  Ni78  1  0.470266  0.314014  0.568646  1
  Ni  Ni79  1  0.137507  0.665997  0.571731  1
  Ni  Ni80  1  0.693856  0.898524  0.530183  1
  Ni  Ni81  1  0.416278  0.781580  0.551103  1
  Ni  Ni82  1  0.941688  0.047366  0.559903  1
  Ni  Ni83  1  0.664690  0.931307  0.581305  1
  Ni  Ni84  1  0.220718  0.164280  0.538875  1
  Ni  Ni85  1  0.975621  0.340157  0.574509  1
  Ni  Ni86  1  0.529539  0.573325  0.531692  1
  Ni  Ni87  1  0.252057  0.457786  0.552512  1
  Ni  Ni88  1  0.863475  0.224586  0.528796  1
  Ni  Ni89  1  0.584684  0.106233  0.549737  1
  Ni  Ni90  1  0.305508  0.989820  0.570742  1
  Ni  Ni91  1  0.225487  0.494188  0.603103  1
  Ni  Ni92  1  0.945349  0.375888  0.624920  1
  Ni  Ni93  1  0.502865  0.608207  0.582803  1
  Ni  Ni94  1  0.190607  0.196508  0.589480  1
  Ni  Ni95  1  0.910663  0.080289  0.610978  1
  Ni  Ni96  1  0.633556  0.965436  0.633281  1
  Ni  Ni97  1  0.302849  0.319238  0.634171  1
  Ni  Ni98  1  0.858767  0.548688  0.592661  1
  Ni  Ni99  1  0.581385  0.432504  0.614059  1
  Ni  Ni100  1  0.109314  0.699734  0.621962  1
  Ni  Ni101  1  0.829972  0.580551  0.642448  1
  Ni  Ni102  1  0.388601  0.816485  0.601815  1
  Ni  Ni103  1  0.141328  0.997783  0.636098  1
  Ni  Ni104  1  0.696399  0.224925  0.595054  1
  Ni  Ni105  1  0.420694  0.110394  0.616187  1
  Ni  Ni106  1  0.024933  0.872861  0.591641  1
  Ni  Ni107  1  0.748776  0.758488  0.613448  1
  Ni  Ni108  1  0.471586  0.643635  0.633897  1
  Ni  Ni109  1  0.386654  0.148502  0.665955  1
  Ni  Ni110  1  0.118261  0.030722  0.686797  1
  Ni  Ni111  1  0.673531  0.258268  0.645883  1
  Ni  Ni112  1  0.355267  0.855755  0.651710  1
  Ni  Ni113  1  0.074904  0.748107  0.670350  1
  Ni  Ni114  1  0.794080  0.636306  0.688695  1
  Ni  Ni115  1  0.459642  0.973550  0.695374  1
  Ni  Ni116  1  0.031258  0.206737  0.655355  1
  Ni  Ni117  1  0.755073  0.087087  0.678738  1
  Ni  Ni118  1  0.285608  0.365464  0.684841  1
  Ni  Ni119  1  0.013596  0.253079  0.702721  1
  Ni  Ni120  1  0.551054  0.467531  0.663720  1
  Ni  Ni121  1  0.275017  0.662020  0.693268  1
  Ni  Ni122  1  0.863814  0.889263  0.657689  1
  Ni  Ni123  1  0.573939  0.766763  0.677253  1
  Ni  Ni124  1  0.193406  0.524425  0.652877  1
  Ni  Ni125  1  0.925422  0.425843  0.675726  1
  Ni  Ni126  1  0.639606  0.293860  0.693112  1
  H  H127  1  0.270487  0.015120  0.298660  1
  H  H128  1  0.982364  0.906307  0.317968  1
  H  H129  1  0.541413  0.139205  0.280259  1
  H  H130  1  0.408667  0.694194  0.287987  1
  H  H131  1  0.115033  0.517861  0.305980  1
  H  H132  1  0.722246  0.760212  0.284875  1
  H  H133  1  0.439226  0.674137  0.367604  1
  H  H134  1  0.161764  0.558400  0.388576  1
  H  H135  1  0.709298  0.792632  0.342548  1
  H  H136  1  0.582500  0.314560  0.358726  1
  H  H137  1  0.295404  0.203970  0.376798  1
  H  H138  1  0.846940  0.463087  0.331057  1
  H  H139  1  0.606476  0.328575  0.430903  1
  H  H140  1  0.330896  0.219501  0.453203  1
  H  H141  1  0.883918  0.443219  0.409486  1
  H  H142  1  0.738626  0.968321  0.418255  1
  H  H143  1  0.459441  0.851022  0.439050  1
  H  H144  1  0.017451  0.087917  0.397418  1
  H  H145  1  0.769701  0.974825  0.493677  1
  H  H146  1  0.491657  0.858358  0.514806  1
  H  H147  1  0.051508  0.101054  0.473933  1
  H  H148  1  0.902755  0.617383  0.480918  1
  H  H149  1  0.620948  0.491154  0.500663  1
  H  H150  1  0.180799  0.733851  0.459790  1
  H  H151  1  0.933830  0.623887  0.556341  1
  H  H152  1  0.655004  0.504291  0.577178  1
  H  H153  1  0.213014  0.741186  0.535546  1
  H  H154  1  0.065980  0.263633  0.543693  1
  H  H155  1  0.788538  0.148990  0.565110  1
  H  H156  1  0.341560  0.372707  0.521392  1
  H  H157  1  0.089956  0.277648  0.615870  1
  H  H158  1  0.825516  0.129121  0.643539  1
  H  H159  1  0.377052  0.388238  0.597798  1
  H  H160  1  0.233230  0.918071  0.606992  1
  H  H161  1  0.963158  0.799576  0.632048  1
  H  H162  1  0.510692  0.033808  0.586019  1
  H  H163  1  0.263789  0.898014  0.686609  1
  H  H164  1  0.950210  0.831997  0.689720  1
  H  H165  1  0.557423  0.074347  0.668616  1
  H  H166  1  0.401968  0.577089  0.675936  1
  H  H167  1  0.131043  0.453003  0.694337  1
  H  H168  1  0.690092  0.685901  0.656628  1
