# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95700748
_cell_length_b   12.15699447
_cell_length_c   56.65548653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni180 H60'
_cell_volume   4791.71151059
_cell_formula_units_Z   60
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  0.057645  0.926537  0.280443  1
  Ni  Ni2  1  0.065817  0.677654  0.227206  1
  Ni  Ni3  1  0.067690  0.297875  0.256254  1
  Ni  Ni4  1  0.717109  0.923915  0.278805  1
  Ni  Ni5  1  0.720337  0.677735  0.226714  1
  Ni  Ni6  1  0.718689  1.295622  0.255751  1
  Ni  Ni7  1  0.390015  1.002565  0.261353  1
  Ni  Ni8  1  0.388113  0.763053  0.215180  1
  Ni  Ni9  1  0.391116  0.368490  0.237369  1
  Ni  Ni10  1  0.564216  0.828021  0.247330  1
  Ni  Ni11  1  0.567525  0.452111  0.272550  1
  Ni  Ni12  1  0.560709  1.191885  0.223874  1
  Ni  Ni13  1  0.205358  0.833564  0.247631  1
  Ni  Ni14  1  0.217531  0.456413  0.272834  1
  Ni  Ni15  1  0.211303  1.192370  0.224422  1
  Ni  Ni16  1  0.885607  0.907574  0.236455  1
  Ni  Ni17  1  -0.109934  0.553207  0.267408  1
  Ni  Ni18  1  -0.111196  1.291400  0.219401  1
  Ni  Ni19  1  0.564954  0.992764  0.223742  1
  Ni  Ni20  1  0.567836  0.647482  0.265229  1
  Ni  Ni21  1  0.580653  1.278275  0.296598  1
  Ni  Ni22  1  0.211917  0.994176  0.223510  1
  Ni  Ni23  1  0.208965  0.650836  0.265983  1
  Ni  Ni24  1  0.211951  1.279237  0.296479  1
  Ni  Ni25  1  -0.111862  1.091172  0.220267  1
  Ni  Ni26  1  -0.112153  0.751661  0.261769  1
  Ni  Ni27  1  -0.107453  0.383426  0.291285  1
  Ni  Ni28  1  0.057711  0.747454  0.299545  1
  Ni  Ni29  1  0.070274  0.478686  0.233482  1
  Ni  Ni30  1  0.068100  1.092807  0.257816  1
  Ni  Ni31  1  0.705941  0.747326  0.298876  1
  Ni  Ni32  1  0.710742  0.479213  0.233304  1
  Ni  Ni33  1  0.714581  1.095214  0.257079  1
  Ni  Ni34  1  0.385789  0.833206  0.285378  1
  Ni  Ni35  1  0.390011  0.572142  0.232551  1
  Ni  Ni36  1  0.393007  1.203132  0.262905  1
  Ni  Ni37  1  0.073102  0.798195  0.373856  1
  Ni  Ni38  1  0.067171  0.553132  0.307906  1
  Ni  Ni39  1  0.066857  1.171895  0.334689  1
  Ni  Ni40  1  0.720487  0.800179  0.373963  1
  Ni  Ni41  1  0.705101  0.552205  0.307600  1
  Ni  Ni42  1  0.704414  1.170546  0.334491  1
  Ni  Ni43  1  0.394812  0.880279  0.359349  1
  Ni  Ni44  1  0.386106  0.650005  0.303840  1
  Ni  Ni45  1  0.386627  1.275715  0.334848  1
  Ni  Ni46  1  0.577408  0.712875  0.338745  1
  Ni  Ni47  1  0.570242  0.331139  0.369638  1
  Ni  Ni48  1  0.573121  1.079257  0.297867  1
  Ni  Ni49  1  0.214144  0.713514  0.338538  1
  Ni  Ni50  1  0.200359  0.332433  0.369601  1
  Ni  Ni51  1  0.223077  1.081021  0.298867  1
  Ni  Ni52  1  -0.106105  0.817722  0.335708  1
  Ni  Ni53  1  -0.114052  0.437318  0.367291  1
  Ni  Ni54  1  -0.102567  1.178424  0.292194  1
  Ni  Ni55  1  0.578211  0.902747  0.320719  1
  Ni  Ni56  1  0.562681  0.521402  0.350922  1
  Ni  Ni57  1  0.562135  1.136444  0.377860  1
  Ni  Ni58  1  0.214091  0.899976  0.320895  1
  Ni  Ni59  1  0.212798  0.521193  0.350724  1
  Ni  Ni60  1  0.210199  1.138581  0.378183  1
  Ni  Ni61  1  -0.105491  1.005619  0.316975  1
  Ni  Ni62  1  -0.108687  0.611204  0.345042  1
  Ni  Ni63  1  0.885309  1.231638  0.371385  1
  Ni  Ni64  1  0.061518  0.604782  0.386926  1
  Ni  Ni65  1  0.059997  0.371519  0.330091  1
  Ni  Ni66  1  0.070100  0.986860  0.356003  1
  Ni  Ni67  1  0.708349  0.606476  0.386805  1
  Ni  Ni68  1  0.714858  0.372753  0.330456  1
  Ni  Ni69  1  0.716421  0.986875  0.356367  1
  Ni  Ni70  1  0.390149  0.689196  0.376439  1
  Ni  Ni71  1  0.388427  0.450719  0.312378  1
  Ni  Ni72  1  0.389400  1.068073  0.339196  1
  Ni  Ni73  1  0.071730  0.644748  0.462417  1
  Ni  Ni74  1  0.059101  0.418103  0.404967  1
  Ni  Ni75  1  0.063408  1.032971  0.431984  1
  Ni  Ni76  1  0.719348  0.643279  0.463814  1
  Ni  Ni77  1  0.706929  0.416953  0.404920  1
  Ni  Ni78  1  0.710476  1.027926  0.432021  1
  Ni  Ni79  1  0.395558  0.724055  0.450985  1
  Ni  Ni80  1  0.385256  0.494147  0.389876  1
  Ni  Ni81  1  0.387591  1.108350  0.418997  1
  Ni  Ni82  1  0.574942  0.570313  0.427112  1
  Ni  Ni83  1  0.575904  1.182670  0.455297  1
  Ni  Ni84  1  0.563470  0.949114  0.396037  1
  Ni  Ni85  1  0.222447  0.568088  0.426431  1
  Ni  Ni86  1  0.218194  1.186065  0.454566  1
  Ni  Ni87  1  0.206217  0.950304  0.396314  1
  Ni  Ni88  1  -0.106970  0.678134  0.423779  1
  Ni  Ni89  1  -0.104522  1.293373  0.452089  1
  Ni  Ni90  1  0.885494  1.056723  0.392716  1
  Ni  Ni91  1  0.567558  0.761299  0.412256  1
  Ni  Ni92  1  0.572946  0.376586  0.443525  1
  Ni  Ni93  1  0.565923  0.988943  0.471105  1
  Ni  Ni94  1  0.216089  0.757967  0.412437  1
  Ni  Ni95  1  0.219084  0.377685  0.442456  1
  Ni  Ni96  1  0.212695  0.992874  0.470813  1
  Ni  Ni97  1  -0.110907  0.872367  0.410576  1
  Ni  Ni98  1  -0.105032  0.490529  0.440833  1
  Ni  Ni99  1  -0.107556  1.101612  0.468114  1
  Ni  Ni100  1  0.073588  0.452314  0.478525  1
  Ni  Ni101  1  0.057179  1.220608  0.414416  1
  Ni  Ni102  1  0.073548  0.837708  0.447751  1
  Ni  Ni103  1  0.723172  0.452158  0.479588  1
  Ni  Ni104  1  0.707202  1.219662  0.414469  1
  Ni  Ni105  1  0.717301  0.832807  0.448396  1
  Ni  Ni106  1  0.396662  0.531405  0.465529  1
  Ni  Ni107  1  0.383509  0.304475  0.407081  1
  Ni  Ni108  1  0.392063  0.917506  0.435154  1
  Ni  Ni109  1  0.057556  0.485764  0.555375  1
  Ni  Ni110  1  0.068140  1.258226  0.491136  1
  Ni  Ni111  1  0.065445  0.874035  0.523388  1
  Ni  Ni112  1  0.700351  0.490975  0.554393  1
  Ni  Ni113  1  0.717490  1.258879  0.491970  1
  Ni  Ni114  1  0.708130  0.873620  0.523487  1
  Ni  Ni115  1  0.376663  0.568802  0.540622  1
  Ni  Ni116  1  0.393728  0.340359  0.481559  1
  Ni  Ni117  1  0.387660  0.955427  0.510035  1
  Ni  Ni118  1  0.557152  0.414434  0.517783  1
  Ni  Ni119  1  0.552596  1.029216  0.545980  1
  Ni  Ni120  1  0.561755  0.799358  0.487053  1
  Ni  Ni121  1  0.200315  0.413436  0.518058  1
  Ni  Ni122  1  0.202051  1.027924  0.546678  1
  Ni  Ni123  1  0.204869  0.799933  0.486825  1
  Ni  Ni124  1  0.881878  0.527076  0.516343  1
  Ni  Ni125  1  0.876446  1.139618  0.543936  1
  Ni  Ni126  1  -0.112043  0.911059  0.483793  1
  Ni  Ni127  1  0.558393  0.603945  0.502049  1
  Ni  Ni128  1  0.552507  1.218760  0.530172  1
  Ni  Ni129  1  0.550458  0.841189  0.562920  1
  Ni  Ni130  1  0.202651  0.605526  0.501861  1
  Ni  Ni131  1  0.200392  1.219309  0.530865  1
  Ni  Ni132  1  0.194685  0.836480  0.562931  1
  Ni  Ni133  1  0.883561  0.717758  0.499498  1
  Ni  Ni134  1  0.880480  0.330414  0.528384  1
  Ni  Ni135  1  0.873858  0.950086  0.559432  1
  Ni  Ni136  1  0.061095  1.293000  0.567777  1
  Ni  Ni137  1  0.069193  1.067280  0.507280  1
  Ni  Ni138  1  0.058593  0.680893  0.538219  1
  Ni  Ni139  1  0.702208  0.297347  0.566258  1
  Ni  Ni140  1  0.712260  1.067924  0.507245  1
  Ni  Ni141  1  0.702672  0.682979  0.537956  1
  Ni  Ni142  1  0.383514  0.384728  0.559015  1
  Ni  Ni143  1  0.391114  1.144604  0.493060  1
  Ni  Ni144  1  0.382627  0.763161  0.526378  1
  Ni  Ni145  1  0.075127  0.350296  0.638357  1
  Ni  Ni146  1  0.053655  1.102027  0.582298  1
  Ni  Ni147  1  0.041772  0.723521  0.611831  1
  Ni  Ni148  1  0.717158  0.360859  0.638636  1
  Ni  Ni149  1  0.695947  1.105939  0.582587  1
  Ni  Ni150  1  0.684148  0.734493  0.610131  1
  Ni  Ni151  1  0.393255  0.458003  0.636602  1
  Ni  Ni152  1  0.380548  1.185126  0.569272  1
  Ni  Ni153  1  0.364076  0.813666  0.603028  1
  Ni  Ni154  1  0.561521  1.267166  0.604970  1
  Ni  Ni155  1  0.535150  0.893326  0.637327  1
  Ni  Ni156  1  0.546511  0.644529  0.575978  1
  Ni  Ni157  1  0.214011  1.243102  0.606563  1
  Ni  Ni158  1  0.179333  0.871903  0.638262  1
  Ni  Ni159  1  0.192278  0.639850  0.577158  1
  Ni  Ni160  1  -0.113422  0.374211  0.601508  1
  Ni  Ni161  1  0.863928  0.991181  0.634577  1
  Ni  Ni162  1  0.871404  0.757276  0.573329  1
  Ni  Ni163  1  0.563318  0.461211  0.596621  1
  Ni  Ni164  1  0.536142  1.080461  0.621875  1
  Ni  Ni165  1  0.515758  0.705217  0.647199  1
  Ni  Ni166  1  0.215317  0.443548  0.596111  1
  Ni  Ni167  1  0.197395  1.053888  0.621483  1
  Ni  Ni168  1  0.183363  0.683470  0.649513  1
  Ni  Ni169  1  0.869174  0.569064  0.590072  1
  Ni  Ni170  1  0.879909  1.183323  0.616434  1
  Ni  Ni171  1  0.852359  0.781426  0.645275  1
  Ni  Ni172  1  0.072102  1.164857  0.651714  1
  Ni  Ni173  1  0.041839  0.912721  0.598305  1
  Ni  Ni174  1  0.048304  0.537093  0.628137  1
  Ni  Ni175  1  0.715008  1.170820  0.652501  1
  Ni  Ni176  1  0.694503  0.922866  0.599131  1
  Ni  Ni177  1  0.711828  0.560949  0.631207  1
  Ni  Ni178  1  0.400057  1.254726  0.642639  1
  Ni  Ni179  1  0.375227  0.997548  0.585203  1
  Ni  Ni180  1  0.370068  0.619661  0.613570  1
  H  H181  1  0.861011  1.044753  0.282946  1
  H  H182  1  -0.109232  0.771197  0.214964  1
  H  H183  1  -0.109484  0.390744  0.236643  1
  H  H184  1  0.387254  0.893800  0.224564  1
  H  H185  1  0.407764  0.552167  0.283216  1
  H  H186  1  0.387260  1.278122  0.213281  1
  H  H187  1  0.387842  1.088904  0.213972  1
  H  H188  1  0.343016  0.703933  0.240057  1
  H  H189  1  0.393649  0.348490  0.281234  1
  H  H190  1  0.857756  0.868321  0.304516  1
  H  H191  1  -0.108309  0.575074  0.219551  1
  H  H192  1  -0.069008  1.191574  0.239106  1
  H  H193  1  -0.079097  0.919904  0.379162  1
  H  H194  1  0.860053  0.675133  0.318106  1
  H  H195  1  0.861334  1.267411  0.316869  1
  H  H196  1  0.421379  0.782810  0.316792  1
  H  H197  1  0.386745  0.414902  0.357701  1
  H  H198  1  0.425904  1.177026  0.313522  1
  H  H199  1  0.394376  0.978957  0.307659  1
  H  H200  1  0.393829  0.589214  0.332031  1
  H  H201  1  0.385694  1.208052  0.361235  1
  H  H202  1  -0.108348  0.694890  0.369627  1
  H  H203  1  -0.112299  0.475962  0.322427  1
  H  H204  1  -0.110641  1.094548  0.351190  1
  H  H205  1  -0.077142  0.769372  0.469825  1
  H  H206  1  0.858608  0.540330  0.409756  1
  H  H207  1  0.856611  1.155923  0.437589  1
  H  H208  1  0.421931  0.634853  0.405157  1
  H  H209  1  0.422734  1.250414  0.434895  1
  H  H210  1  0.385203  1.048236  0.390254  1
  H  H211  1  0.360546  0.829807  0.389738  1
  H  H212  1  0.425114  0.444300  0.420513  1
  H  H213  1  0.395193  1.068704  0.453946  1
  H  H214  1  -0.076012  0.577107  0.485697  1
  H  H215  1  0.882942  0.314398  0.397150  1
  H  H216  1  -0.109546  0.946588  0.446997  1
  H  H217  1  -0.114038  0.604624  0.555032  1
  H  H218  1  -0.077213  0.384624  0.499993  1
  H  H219  1  -0.112149  0.967875  0.513555  1
  H  H220  1  0.354217  0.480287  0.495737  1
  H  H221  1  0.350473  1.097833  0.523678  1
  H  H222  1  0.360180  0.864483  0.465104  1
  H  H223  1  0.382137  0.706042  0.496922  1
  H  H224  1  0.378069  0.325533  0.530266  1
  H  H225  1  0.349635  0.901839  0.540577  1
  H  H226  1  0.873562  0.419998  0.572569  1
  H  H227  1  -0.082210  1.188829  0.513998  1
  H  H228  1  -0.091111  0.809089  0.544339  1
  H  H229  1  0.883136  0.459233  0.645908  1
  H  H230  1  0.854382  1.230090  0.587174  1
  H  H231  1  -0.095613  0.854418  0.622662  1
  H  H232  1  0.344480  0.354410  0.619714  1
  H  H233  1  0.360093  0.980568  0.641191  1
  H  H234  1  0.370549  0.748235  0.575122  1
  H  H235  1  0.371587  0.525928  0.575761  1
  H  H236  1  0.290664  1.142909  0.641897  1
  H  H237  1  0.345142  0.792022  0.654738  1
  H  H238  1  -0.104623  1.256774  0.650639  1
  H  H239  1  -0.105009  1.039415  0.605047  1
  H  H240  1  -0.047781  0.657578  0.643428  1
