# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96675864
_cell_length_b   14.62470746
_cell_length_c   53.79512796
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni216 H72'
_cell_volume   6109.04881129
_cell_formula_units_Z   72
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  0.394617  0.961641  0.255953  1
  Ni  Ni2  1  0.496811  0.245083  0.291557  1
  Ni  Ni3  1  0.709310  0.653966  0.294734  1
  Ni  Ni4  1  0.305204  0.742981  0.252454  1
  Ni  Ni5  1  0.501113  0.145622  0.254233  1
  Ni  Ni6  1  0.613538  0.461914  0.289520  1
  Ni  Ni7  1  0.095438  0.841772  0.253809  1
  Ni  Ni8  1  0.188588  1.060751  0.257802  1
  Ni  Ni9  1  0.404782  0.565962  0.292812  1
  Ni  Ni10  1  0.496185  0.744530  0.291268  1
  Ni  Ni11  1  0.708715  0.153732  0.294721  1
  Ni  Ni12  1  0.394596  0.461273  0.255780  1
  Ni  Ni13  1  0.613669  0.962110  0.289666  1
  Ni  Ni14  1  0.305469  0.243052  0.252419  1
  Ni  Ni15  1  0.500716  0.645427  0.253956  1
  Ni  Ni16  1  0.188365  0.560378  0.257729  1
  Ni  Ni17  1  0.404908  1.066152  0.293097  1
  Ni  Ni18  1  0.095729  0.342104  0.253617  1
  Ni  Ni19  1  0.995616  0.760533  0.293924  1
  Ni  Ni20  1  0.201901  0.162754  0.294714  1
  Ni  Ni21  1  0.892184  0.444661  0.256600  1
  Ni  Ni22  1  0.109630  0.945788  0.290815  1
  Ni  Ni23  1  0.783673  0.249548  0.255308  1
  Ni  Ni24  1  1.005903  0.667247  0.255586  1
  Ni  Ni25  1  0.720955  0.563429  0.255046  1
  Ni  Ni26  1  0.920229  1.063271  0.291374  1
  Ni  Ni27  1  0.583864  0.349755  0.254951  1
  Ni  Ni28  1  0.892052  0.944227  0.256512  1
  Ni  Ni29  1  0.995864  0.260457  0.293652  1
  Ni  Ni30  1  0.201218  0.662349  0.294663  1
  Ni  Ni31  1  0.783194  0.749502  0.255318  1
  Ni  Ni32  1  1.006343  0.167476  0.255327  1
  Ni  Ni33  1  0.109279  0.445577  0.290920  1
  Ni  Ni34  1  0.583590  0.850081  0.254980  1
  Ni  Ni35  1  0.721037  1.063249  0.254978  1
  Ni  Ni36  1  0.919707  0.563073  0.291759  1
  Ni  Ni37  1  0.908913  0.945176  0.325431  1
  Ni  Ni38  1  0.063712  0.241787  0.370366  1
  Ni  Ni39  1  0.277256  0.646151  0.367104  1
  Ni  Ni40  1  0.775882  0.841283  0.292320  1
  Ni  Ni41  1  0.012430  0.153704  0.330842  1
  Ni  Ni42  1  0.201860  0.539129  0.331233  1
  Ni  Ni43  1  0.617152  0.861255  0.334114  1
  Ni  Ni44  1  0.826046  0.265262  0.333882  1
  Ni  Ni45  1  0.961957  0.534886  0.364951  1
  Ni  Ni46  1  0.062709  0.743666  0.371223  1
  Ni  Ni47  1  0.279554  0.145049  0.367297  1
  Ni  Ni48  1  0.909237  0.444850  0.325907  1
  Ni  Ni49  1  0.201609  1.038750  0.331297  1
  Ni  Ni50  1  0.776638  0.341695  0.292307  1
  Ni  Ni51  1  0.013336  0.654020  0.331458  1
  Ni  Ni52  1  0.824337  0.765261  0.334304  1
  Ni  Ni53  1  0.960057  1.036195  0.364103  1
  Ni  Ni54  1  0.616260  0.359738  0.334059  1
  Ni  Ni55  1  0.573872  0.756348  0.369672  1
  Ni  Ni56  1  0.765102  0.144491  0.366989  1
  Ni  Ni57  1  0.401816  0.442359  0.323829  1
  Ni  Ni58  1  0.700047  1.036706  0.331537  1
  Ni  Ni59  1  0.297532  0.338937  0.289150  1
  Ni  Ni60  1  0.518119  0.655500  0.331753  1
  Ni  Ni61  1  0.324049  0.764415  0.332437  1
  Ni  Ni62  1  0.458016  1.030176  0.363642  1
  Ni  Ni63  1  0.121307  0.363977  0.339058  1
  Ni  Ni64  1  0.401841  0.942722  0.324212  1
  Ni  Ni65  1  0.571310  0.257505  0.370538  1
  Ni  Ni66  1  0.768282  0.642882  0.366886  1
  Ni  Ni67  1  0.298307  0.839146  0.289254  1
  Ni  Ni68  1  0.517845  0.156222  0.332181  1
  Ni  Ni69  1  0.700560  0.536002  0.331387  1
  Ni  Ni70  1  0.119450  0.861429  0.338091  1
  Ni  Ni71  1  0.321101  0.264613  0.333018  1
  Ni  Ni72  1  0.457343  0.530892  0.362961  1
  Ni  Ni73  1  0.457959  0.948094  0.412548  1
  Ni  Ni74  1  0.666451  0.337266  0.412277  1
  Ni  Ni75  1  0.846369  0.645733  0.458906  1
  Ni  Ni76  1  0.364650  0.854165  0.372980  1
  Ni  Ni77  1  0.561800  0.116351  0.401560  1
  Ni  Ni78  1  0.765807  0.547481  0.421742  1
  Ni  Ni79  1  0.180848  0.967267  0.382120  1
  Ni  Ni80  1  0.370571  0.219715  0.409490  1
  Ni  Ni81  1  0.618371  0.699046  0.440587  1
  Ni  Ni82  1  0.669730  0.832745  0.411395  1
  Ni  Ni83  1  0.858878  0.156171  0.462951  1
  Ni  Ni84  1  0.454599  0.450874  0.413900  1
  Ni  Ni85  1  0.780919  1.059985  0.423848  1
  Ni  Ni86  1  0.364554  0.355472  0.373831  1
  Ni  Ni87  1  0.561035  0.618105  0.400270  1
  Ni  Ni88  1  0.372075  0.724789  0.407787  1
  Ni  Ni89  1  0.631394  0.203093  0.441194  1
  Ni  Ni90  1  0.189809  0.472669  0.383717  1
  Ni  Ni91  1  0.164292  0.834703  0.412228  1
  Ni  Ni92  1  0.351718  0.154880  0.460499  1
  Ni  Ni93  1  0.958928  0.444794  0.413733  1
  Ni  Ni94  1  0.273588  1.053084  0.424014  1
  Ni  Ni95  1  0.879135  0.355358  0.373956  1
  Ni  Ni96  1  0.069681  0.613414  0.403452  1
  Ni  Ni97  1  0.868659  0.715399  0.409419  1
  Ni  Ni98  1  0.123267  0.202002  0.441270  1
  Ni  Ni99  1  0.677181  0.460643  0.379933  1
  Ni  Ni100  1  0.958651  0.947250  0.414997  1
  Ni  Ni101  1  0.164730  0.330805  0.410992  1
  Ni  Ni102  1  0.372946  0.669754  0.466409  1
  Ni  Ni103  1  0.878616  0.856497  0.374518  1
  Ni  Ni104  1  0.065865  0.115439  0.401993  1
  Ni  Ni105  1  0.297947  0.570684  0.427263  1
  Ni  Ni106  1  0.683085  0.964539  0.380984  1
  Ni  Ni107  1  0.868259  0.220360  0.408277  1
  Ni  Ni108  1  0.138036  0.703448  0.442219  1
  Ni  Ni109  1  0.028813  1.031541  0.454553  1
  Ni  Ni110  1  1.006563  0.403038  0.487547  1
  Ni  Ni111  1  0.344878  0.662765  0.512909  1
  Ni  Ni112  1  0.929714  0.814556  0.447887  1
  Ni  Ni113  1  0.100197  0.139773  0.489058  1
  Ni  Ni114  1  0.297678  0.513682  0.488182  1
  Ni  Ni115  1  0.733840  0.925103  0.450545  1
  Ni  Ni116  1  0.723201  0.298393  0.487522  1
  Ni  Ni117  1  0.026782  0.534097  0.520525  1
  Ni  Ni118  1  1.002230  0.898824  0.488923  1
  Ni  Ni119  1  0.387743  0.199738  0.505913  1
  Ni  Ni120  1  0.026325  0.528395  0.452085  1
  Ni  Ni121  1  0.286670  1.023020  0.489642  1
  Ni  Ni122  1  0.934542  0.318919  0.447087  1
  Ni  Ni123  1  0.096520  0.634298  0.485664  1
  Ni  Ni124  1  0.696590  0.803059  0.484227  1
  Ni  Ni125  1  0.997465  1.033862  0.523972  1
  Ni  Ni126  1  0.732779  0.423371  0.452942  1
  Ni  Ni127  1  0.499372  0.906253  0.487374  1
  Ni  Ni128  1  0.850620  0.168520  0.510953  1
  Ni  Ni129  1  0.531424  0.530220  0.454820  1
  Ni  Ni130  1  0.791826  1.013619  0.489005  1
  Ni  Ni131  1  0.437382  0.321689  0.447277  1
  Ni  Ni132  1  0.606389  0.635501  0.490309  1
  Ni  Ni133  1  0.219701  0.798748  0.487934  1
  Ni  Ni134  1  0.517124  1.038482  0.520640  1
  Ni  Ni135  1  0.230235  0.424266  0.449637  1
  Ni  Ni136  1  0.523212  1.028387  0.452017  1
  Ni  Ni137  1  0.513748  0.399465  0.489516  1
  Ni  Ni138  1  0.896178  0.712758  0.502488  1
  Ni  Ni139  1  0.436583  0.824026  0.446241  1
  Ni  Ni140  1  0.596317  0.135835  0.485480  1
  Ni  Ni141  1  0.796103  0.522427  0.490437  1
  Ni  Ni142  1  0.224170  0.921216  0.452766  1
  Ni  Ni143  1  0.216502  0.305305  0.484882  1
  Ni  Ni144  1  0.495233  0.531282  0.524798  1
  Ni  Ni145  1  0.454846  0.959602  0.560133  1
  Ni  Ni146  1  0.643591  0.343259  0.567981  1
  Ni  Ni147  1  0.782001  0.639079  0.608133  1
  Ni  Ni148  1  0.394977  0.819953  0.530392  1
  Ni  Ni149  1  0.612883  0.208096  0.536643  1
  Ni  Ni150  1  0.796413  0.595277  0.541239  1
  Ni  Ni151  1  0.207475  0.930351  0.527787  1
  Ni  Ni152  1  0.348307  0.231770  0.571215  1
  Ni  Ni153  1  0.552137  0.626803  0.569467  1
  Ni  Ni154  1  0.632850  0.836950  0.567142  1
  Ni  Ni155  1  0.766010  0.137901  0.609652  1
  Ni  Ni156  1  0.430748  0.459179  0.565220  1
  Ni  Ni157  1  0.757467  1.072153  0.551153  1
  Ni  Ni158  1  0.421765  0.334780  0.533156  1
  Ni  Ni159  1  0.630107  0.723118  0.531057  1
  Ni  Ni160  1  0.329867  0.726436  0.570949  1
  Ni  Ni161  1  0.531906  0.117131  0.577201  1
  Ni  Ni162  1  0.195307  0.416833  0.526898  1
  Ni  Ni163  1  0.140377  0.841426  0.566686  1
  Ni  Ni164  1  0.281911  0.136890  0.608303  1
  Ni  Ni165  1  0.960849  0.459181  0.560319  1
  Ni  Ni166  1  0.289413  0.089250  0.544740  1
  Ni  Ni167  1  0.901431  0.321939  0.530442  1
  Ni  Ni168  1  0.103120  0.705563  0.535827  1
  Ni  Ni169  1  0.845529  0.732271  0.570650  1
  Ni  Ni170  1  0.051718  0.125441  0.571150  1
  Ni  Ni171  1  0.711339  0.430497  0.528689  1
  Ni  Ni172  1  0.932304  0.961220  0.564603  1
  Ni  Ni173  1  0.135344  0.335555  0.567086  1
  Ni  Ni174  1  0.263750  0.636860  0.608938  1
  Ni  Ni175  1  0.916582  0.837890  0.532957  1
  Ni  Ni176  1  0.128329  0.218899  0.532003  1
  Ni  Ni177  1  0.254523  0.568856  0.552542  1
  Ni  Ni178  1  0.686887  0.919305  0.527055  1
  Ni  Ni179  1  0.834536  0.226932  0.571471  1
  Ni  Ni180  1  0.027494  0.617991  0.576617  1
  Ni  Ni181  1  0.985228  1.038738  0.611599  1
  Ni  Ni182  1  0.807698  0.277693  0.637968  1
  Ni  Ni183  1  0.209177  0.538701  0.643839  1
  Ni  Ni184  1  0.876368  0.868114  0.602386  1
  Ni  Ni185  1  0.996028  0.157412  0.643334  1
  Ni  Ni186  1  0.120711  0.374283  0.632310  1
  Ni  Ni187  1  0.692299  0.981842  0.592760  1
  Ni  Ni188  1  0.573193  0.252310  0.606399  1
  Ni  Ni189  1  0.903655  0.444467  0.652163  1
  Ni  Ni190  1  0.803639  0.762019  0.638982  1
  Ni  Ni191  1  0.213958  1.057801  0.646212  1
  Ni  Ni192  1  0.959963  0.526944  0.614875  1
  Ni  Ni193  1  0.161801  0.907868  0.624697  1
  Ni  Ni194  1  0.896592  0.367807  0.598960  1
  Ni  Ni195  1  0.018189  0.656815  0.642265  1
  Ni  Ni196  1  0.566940  0.738714  0.604446  1
  Ni  Ni197  1  0.916978  0.937736  0.646763  1
  Ni  Ni198  1  0.724997  0.504307  0.582073  1
  Ni  Ni199  1  0.310552  0.776629  0.637487  1
  Ni  Ni200  1  0.710887  1.039436  0.644459  1
  Ni  Ni201  1  0.488547  0.539507  0.610308  1
  Ni  Ni202  1  0.621489  0.877076  0.630848  1
  Ni  Ni203  1  0.372900  0.365995  0.602790  1
  Ni  Ni204  1  0.494588  0.655665  0.642619  1
  Ni  Ni205  1  0.073670  0.753083  0.605683  1
  Ni  Ni206  1  0.407089  0.943008  0.652811  1
  Ni  Ni207  1  0.191103  0.478484  0.593966  1
  Ni  Ni208  1  0.461802  1.025068  0.615447  1
  Ni  Ni209  1  0.305642  0.260314  0.639361  1
  Ni  Ni210  1  0.714356  0.559104  0.645916  1
  Ni  Ni211  1  0.390917  0.867891  0.598523  1
  Ni  Ni212  1  0.517497  0.155000  0.642758  1
  Ni  Ni213  1  0.665215  0.412851  0.622407  1
  Ni  Ni214  1  0.217554  0.996305  0.584698  1
  Ni  Ni215  1  0.069456  0.239206  0.605021  1
  Ni  Ni216  1  0.420792  0.438734  0.645858  1
  H  H217  1  0.129851  0.751986  0.235729  1
  H  H218  1  0.135616  0.952284  0.250328  1
  H  H219  1  0.363893  0.452427  0.287801  1
  H  H220  1  0.364544  0.952728  0.288070  1
  H  H221  1  0.130444  0.252231  0.235614  1
  H  H222  1  0.135282  0.452332  0.250139  1
  H  H223  1  0.867902  0.950508  0.288880  1
  H  H224  1  0.547752  0.248617  0.239859  1
  H  H225  1  0.632266  0.458223  0.249183  1
  H  H226  1  0.547568  0.748871  0.239856  1
  H  H227  1  0.631580  0.958340  0.249128  1
  H  H228  1  0.868393  0.450715  0.289137  1
  H  H229  1  0.645616  0.759514  0.314777  1
  H  H230  1  0.769345  0.149532  0.330669  1
  H  H231  1  0.053743  0.447987  0.355106  1
  H  H232  1  0.047052  0.945721  0.354167  1
  H  H233  1  0.646063  0.258910  0.314753  1
  H  H234  1  0.770612  0.649227  0.330640  1
  H  H235  1  0.543925  0.939762  0.353088  1
  H  H236  1  0.148763  0.270795  0.315272  1
  H  H237  1  0.268408  0.650733  0.330756  1
  H  H238  1  0.149289  0.768874  0.315125  1
  H  H239  1  0.268560  0.150737  0.330841  1
  H  H240  1  0.538766  0.438362  0.352511  1
  H  H241  1  0.212925  0.738266  0.390010  1
  H  H242  1  0.322989  0.085259  0.392805  1
  H  H243  1  0.422678  0.337280  0.410656  1
  H  H244  1  0.425322  0.837790  0.409686  1
  H  H245  1  0.221145  0.237575  0.389078  1
  H  H246  1  0.320699  0.588852  0.393778  1
  H  H247  1  0.922422  0.833292  0.411412  1
  H  H248  1  0.712754  0.238776  0.389796  1
  H  H249  1  0.825903  0.583356  0.391766  1
  H  H250  1  0.721235  0.738074  0.388915  1
  H  H251  1  0.821653  0.085152  0.392162  1
  H  H252  1  0.922614  0.333956  0.410691  1
  H  H253  1  0.679343  0.810407  0.448970  1
  H  H254  1  0.545595  1.021102  0.486248  1
  H  H255  1  0.848336  0.412605  0.506979  1
  H  H256  1  0.837260  0.907804  0.506937  1
  H  H257  1  0.680738  0.310285  0.451738  1
  H  H258  1  0.548771  0.518359  0.489811  1
  H  H259  1  0.345967  0.914600  0.506955  1
  H  H260  1  0.182496  0.310988  0.449991  1
  H  H261  1  0.052470  0.518548  0.485929  1
  H  H262  1  0.177774  0.809618  0.452051  1
  H  H263  1  0.043357  1.020114  0.489383  1
  H  H264  1  0.346872  0.408769  0.506964  1
  H  H265  1  0.075027  0.812669  0.512201  1
  H  H266  1  0.361841  0.208434  0.538426  1
  H  H267  1  0.394218  0.346196  0.567514  1
  H  H268  1  0.386523  0.842950  0.564099  1
  H  H269  1  0.053185  0.300921  0.509060  1
  H  H270  1  0.394863  0.688517  0.543436  1
  H  H271  1  0.890108  0.847452  0.567308  1
  H  H272  1  0.574382  0.308355  0.512052  1
  H  H273  1  0.859830  0.713293  0.536468  1
  H  H274  1  0.545520  0.802281  0.509089  1
  H  H275  1  0.871216  0.194303  0.541491  1
  H  H276  1  0.887734  0.343309  0.564454  1
  H  H277  1  0.325418  0.753487  0.606245  1
  H  H278  1  0.968599  1.048926  0.650645  1
  H  H279  1  0.743258  0.358856  0.654007  1
  H  H280  1  0.766780  0.849847  0.655813  1
  H  H281  1  0.325780  0.252282  0.607576  1
  H  H282  1  0.970078  0.553498  0.652943  1
  H  H283  1  0.249181  0.855881  0.654950  1
  H  H284  1  0.825124  0.254259  0.606715  1
  H  H285  1  0.469386  0.548685  0.650374  1
  H  H286  1  0.823469  0.754205  0.607098  1
  H  H287  1  0.470763  1.051997  0.653426  1
  H  H288  1  0.274514  0.350265  0.656042  1
