# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97274695
_cell_length_b   12.38826024
_cell_length_c   47.62670326
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.86021476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni216 H72'
_cell_volume   5652.1288711
_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  0.655092  0.164094  0.306104  1
  Ni  Ni2  1  0.135362  0.158683  0.283386  1
  Ni  Ni3  1  0.155092  0.664094  0.306104  1
  Ni  Ni4  1  0.635362  0.658683  0.283386  1
  Ni  Ni5  1  0.702625  0.357671  0.296162  1
  Ni  Ni6  1  0.184751  0.391774  0.318720  1
  Ni  Ni7  1  0.202625  0.857671  0.296162  1
  Ni  Ni8  1  0.684751  0.891774  0.318720  1
  Ni  Ni9  1  0.874409  0.174313  0.282905  1
  Ni  Ni10  1  0.345887  0.211524  0.303692  1
  Ni  Ni11  1  0.374409  0.674313  0.282905  1
  Ni  Ni12  1  0.845887  0.711524  0.303692  1
  Ni  Ni13  1  0.023956  0.535353  0.288189  1
  Ni  Ni14  1  0.533957  0.536259  0.312208  1
  Ni  Ni15  1  0.523956  0.035353  0.288189  1
  Ni  Ni16  1  0.033957  0.036259  0.312208  1
  Ni  Ni17  1  0.970118  0.339355  0.297079  1
  Ni  Ni18  1  0.498298  0.299280  0.276592  1
  Ni  Ni19  1  0.470118  0.839355  0.297079  1
  Ni  Ni20  1  0.998298  0.799280  0.276592  1
  Ni  Ni21  1  0.801926  0.519669  0.312552  1
  Ni  Ni22  1  0.330146  0.485693  0.290406  1
  Ni  Ni23  1  0.301926  0.019669  0.312552  1
  Ni  Ni24  1  0.830146  0.985693  0.290406  1
  Ni  Ni25  1  0.636394  0.212806  0.356866  1
  Ni  Ni26  1  0.127099  0.202415  0.331307  1
  Ni  Ni27  1  0.136394  0.712806  0.356866  1
  Ni  Ni28  1  0.627099  0.702415  0.331307  1
  Ni  Ni29  1  0.691596  0.405387  0.346682  1
  Ni  Ni30  1  0.169749  0.440528  0.371069  1
  Ni  Ni31  1  0.191596  0.905387  0.346682  1
  Ni  Ni32  1  0.669749  0.940528  0.371069  1
  Ni  Ni33  1  0.862311  0.222658  0.330864  1
  Ni  Ni34  1  0.337403  0.255474  0.354646  1
  Ni  Ni35  1  0.362311  0.722658  0.330864  1
  Ni  Ni36  1  0.837403  0.755474  0.354646  1
  Ni  Ni37  1  0.008925  0.578217  0.337551  1
  Ni  Ni38  1  0.516898  0.588328  0.363599  1
  Ni  Ni39  1  0.508925  0.078217  0.337551  1
  Ni  Ni40  1  0.016898  0.088328  0.363599  1
  Ni  Ni41  1  0.956883  0.385013  0.347466  1
  Ni  Ni42  1  0.477165  0.348443  0.324031  1
  Ni  Ni43  1  0.456883  0.885013  0.347466  1
  Ni  Ni44  1  0.977165  0.848443  0.324031  1
  Ni  Ni45  1  0.784982  0.567569  0.364159  1
  Ni  Ni46  1  0.307528  0.533807  0.339962  1
  Ni  Ni47  1  0.284982  0.067569  0.364159  1
  Ni  Ni48  1  0.807528  0.033807  0.339962  1
  Ni  Ni49  1  0.619402  0.259776  0.408643  1
  Ni  Ni50  1  0.113765  0.247333  0.382206  1
  Ni  Ni51  1  0.119402  0.759776  0.408643  1
  Ni  Ni52  1  0.613765  0.747333  0.382206  1
  Ni  Ni53  1  0.673500  0.453546  0.398180  1
  Ni  Ni54  1  0.154149  0.487075  0.423156  1
  Ni  Ni55  1  0.173500  0.953546  0.398180  1
  Ni  Ni56  1  0.654149  0.987075  0.423156  1
  Ni  Ni57  1  0.845269  0.269425  0.381534  1
  Ni  Ni58  1  0.322208  0.301890  0.406353  1
  Ni  Ni59  1  0.345269  0.769425  0.381534  1
  Ni  Ni60  1  0.822208  0.801890  0.406353  1
  Ni  Ni61  1  0.994612  0.623768  0.388925  1
  Ni  Ni62  1  0.499930  0.636224  0.415359  1
  Ni  Ni63  1  0.494612  0.123768  0.388925  1
  Ni  Ni64  1  0.999930  0.136224  0.415359  1
  Ni  Ni65  1  0.940688  0.430150  0.399235  1
  Ni  Ni66  1  0.460170  0.395352  0.374616  1
  Ni  Ni67  1  0.440688  0.930150  0.399235  1
  Ni  Ni68  1  0.960170  0.895352  0.374616  1
  Ni  Ni69  1  0.769677  0.613790  0.416193  1
  Ni  Ni70  1  0.291199  0.581340  0.391274  1
  Ni  Ni71  1  0.269677  0.113790  0.416193  1
  Ni  Ni72  1  0.791199  0.081340  0.391274  1
  Ni  Ni73  1  0.602802  0.306573  0.460250  1
  Ni  Ni74  1  0.098168  0.293270  0.433774  1
  Ni  Ni75  1  0.102802  0.806573  0.460250  1
  Ni  Ni76  1  0.598168  0.793270  0.433774  1
  Ni  Ni77  1  0.656967  0.500274  0.449804  1
  Ni  Ni78  1  0.138231  0.533481  0.474913  1
  Ni  Ni79  1  0.156967  1.000274  0.449804  1
  Ni  Ni80  1  0.638231  0.033481  0.474913  1
  Ni  Ni81  1  0.828185  0.316070  0.432890  1
  Ni  Ni82  1  0.306771  0.348108  0.458002  1
  Ni  Ni83  1  0.328185  0.816070  0.432890  1
  Ni  Ni84  1  0.806771  0.848108  0.458002  1
  Ni  Ni85  1  0.978835  0.669728  0.440556  1
  Ni  Ni86  1  0.483399  0.683097  0.466994  1
  Ni  Ni87  1  0.478835  0.169728  0.440556  1
  Ni  Ni88  1  0.983399  0.183097  0.466994  1
  Ni  Ni89  1  0.924914  0.476039  0.450946  1
  Ni  Ni90  1  0.443631  0.442459  0.425965  1
  Ni  Ni91  1  0.424914  0.976039  0.450946  1
  Ni  Ni92  1  0.943631  0.942459  0.425965  1
  Ni  Ni93  1  0.753768  0.660136  0.467954  1
  Ni  Ni94  1  0.274893  0.628016  0.442838  1
  Ni  Ni95  1  0.253768  0.160136  0.467954  1
  Ni  Ni96  1  0.774893  0.128016  0.442838  1
  Ni  Ni97  1  0.586631  0.353102  0.511865  1
  Ni  Ni98  1  0.082310  0.339531  0.485418  1
  Ni  Ni99  1  0.086631  0.853102  0.511865  1
  Ni  Ni100  1  0.582310  0.839531  0.485418  1
  Ni  Ni101  1  0.640699  0.546795  0.501442  1
  Ni  Ni102  1  0.122144  0.579995  0.526548  1
  Ni  Ni103  1  0.140699  0.046795  0.501442  1
  Ni  Ni104  1  0.622144  0.079995  0.526548  1
  Ni  Ni105  1  0.811857  0.362575  0.484441  1
  Ni  Ni106  1  0.290865  0.394517  0.509623  1
  Ni  Ni107  1  0.311857  0.862575  0.484441  1
  Ni  Ni108  1  0.790865  0.894517  0.509623  1
  Ni  Ni109  1  0.962911  0.716026  0.492186  1
  Ni  Ni110  1  0.467232  0.729596  0.518633  1
  Ni  Ni111  1  0.462911  0.216026  0.492186  1
  Ni  Ni112  1  0.967232  0.229596  0.518633  1
  Ni  Ni113  1  0.908843  0.522332  0.502609  1
  Ni  Ni114  1  0.427399  0.489133  0.477502  1
  Ni  Ni115  1  0.408843  0.022332  0.502609  1
  Ni  Ni116  1  0.927399  0.989133  0.477502  1
  Ni  Ni117  1  0.737686  0.706552  0.519610  1
  Ni  Ni118  1  0.258677  0.674610  0.494428  1
  Ni  Ni119  1  0.237686  0.206552  0.519610  1
  Ni  Ni120  1  0.758677  0.174610  0.494428  1
  Ni  Ni121  1  0.570707  0.399400  0.563495  1
  Ni  Ni122  1  0.066143  0.386031  0.537057  1
  Ni  Ni123  1  0.070707  0.899400  0.563495  1
  Ni  Ni124  1  0.566143  0.886031  0.537057  1
  Ni  Ni125  1  0.624629  0.593088  0.553104  1
  Ni  Ni126  1  0.105912  0.626668  0.578086  1
  Ni  Ni127  1  0.124629  0.093088  0.553104  1
  Ni  Ni128  1  0.605912  0.126668  0.578086  1
  Ni  Ni129  1  0.795775  0.408992  0.536097  1
  Ni  Ni130  1  0.274650  0.441112  0.561213  1
  Ni  Ni131  1  0.295775  0.908992  0.536097  1
  Ni  Ni132  1  0.774650  0.941112  0.561213  1
  Ni  Ni133  1  0.946741  0.762554  0.543801  1
  Ni  Ni134  1  0.451375  0.775857  0.570277  1
  Ni  Ni135  1  0.446741  0.262554  0.543801  1
  Ni  Ni136  1  0.951375  0.275857  0.570277  1
  Ni  Ni137  1  0.892576  0.568854  0.554247  1
  Ni  Ni138  1  0.411312  0.535646  0.529138  1
  Ni  Ni139  1  0.392576  0.068854  0.554247  1
  Ni  Ni140  1  0.911312  0.035646  0.529138  1
  Ni  Ni141  1  0.721358  0.753057  0.571160  1
  Ni  Ni142  1  0.242772  0.721019  0.546048  1
  Ni  Ni143  1  0.221358  0.253057  0.571160  1
  Ni  Ni144  1  0.742772  0.221019  0.546048  1
  Ni  Ni145  1  0.554930  0.445360  0.615126  1
  Ni  Ni146  1  0.049613  0.432903  0.588691  1
  Ni  Ni147  1  0.054930  0.945360  0.615126  1
  Ni  Ni148  1  0.549613  0.932903  0.588691  1
  Ni  Ni149  1  0.608855  0.638977  0.604816  1
  Ni  Ni150  1  0.089373  0.673775  0.629435  1
  Ni  Ni151  1  0.108855  0.138977  0.604816  1
  Ni  Ni152  1  0.589373  0.173775  0.629435  1
  Ni  Ni153  1  0.779866  0.455338  0.587858  1
  Ni  Ni154  1  0.258344  0.487787  0.612777  1
  Ni  Ni155  1  0.279866  0.955338  0.587858  1
  Ni  Ni156  1  0.758344  0.987787  0.612777  1
  Ni  Ni157  1  0.930141  0.809352  0.595408  1
  Ni  Ni158  1  0.435778  0.821795  0.621845  1
  Ni  Ni159  1  0.430141  0.309352  0.595408  1
  Ni  Ni160  1  0.935778  0.321795  0.621845  1
  Ni  Ni161  1  0.876043  0.615581  0.605871  1
  Ni  Ni162  1  0.395394  0.582052  0.580895  1
  Ni  Ni163  1  0.376043  0.115581  0.605871  1
  Ni  Ni164  1  0.895394  0.082052  0.580895  1
  Ni  Ni165  1  0.704274  0.799703  0.622517  1
  Ni  Ni166  1  0.227335  0.767237  0.597697  1
  Ni  Ni167  1  0.204274  0.299703  0.622517  1
  Ni  Ni168  1  0.727335  0.267237  0.597697  1
  Ni  Ni169  1  0.540617  0.490910  0.666499  1
  Ni  Ni170  1  0.032645  0.480799  0.640452  1
  Ni  Ni171  1  0.040617  0.990910  0.666499  1
  Ni  Ni172  1  0.532645  0.980799  0.640452  1
  Ni  Ni173  1  0.592659  0.684115  0.656585  1
  Ni  Ni174  1  0.072378  0.720684  0.680019  1
  Ni  Ni175  1  0.092659  0.184115  0.656585  1
  Ni  Ni176  1  0.572378  0.220684  0.680019  1
  Ni  Ni177  1  0.764561  0.501558  0.639892  1
  Ni  Ni178  1  0.242015  0.535320  0.664089  1
  Ni  Ni179  1  0.264561  1.001558  0.639892  1
  Ni  Ni180  1  0.742015  0.035320  0.664089  1
  Ni  Ni181  1  0.913149  0.856322  0.647185  1
  Ni  Ni182  1  0.422444  0.866713  0.672744  1
  Ni  Ni183  1  0.413149  0.356322  0.647185  1
  Ni  Ni184  1  0.922444  0.366713  0.672744  1
  Ni  Ni185  1  0.857947  0.663741  0.657369  1
  Ni  Ni186  1  0.379794  0.628599  0.632982  1
  Ni  Ni187  1  0.357947  0.163741  0.657369  1
  Ni  Ni188  1  0.879794  0.128599  0.632982  1
  Ni  Ni189  1  0.687232  0.846469  0.673187  1
  Ni  Ni190  1  0.212140  0.813653  0.649405  1
  Ni  Ni191  1  0.187232  0.346469  0.673187  1
  Ni  Ni192  1  0.712140  0.313653  0.649405  1
  Ni  Ni193  1  0.525586  0.533774  0.715862  1
  Ni  Ni194  1  0.015585  0.532868  0.691843  1
  Ni  Ni195  1  0.025586  0.033774  0.715862  1
  Ni  Ni196  1  0.515585  0.032868  0.691843  1
  Ni  Ni197  1  0.579425  0.729772  0.706971  1
  Ni  Ni198  1  0.051245  0.769847  0.727459  1
  Ni  Ni199  1  0.079425  0.229772  0.706971  1
  Ni  Ni200  1  0.551245  0.269847  0.727459  1
  Ni  Ni201  1  0.747617  0.549459  0.691499  1
  Ni  Ni202  1  0.219397  0.583434  0.713645  1
  Ni  Ni203  1  0.247617  0.049459  0.691499  1
  Ni  Ni204  1  0.719397  0.083434  0.713645  1
  Ni  Ni205  1  0.894450  0.905033  0.697947  1
  Ni  Ni206  1  0.414181  0.910444  0.720665  1
  Ni  Ni207  1  0.394450  0.405033  0.697947  1
  Ni  Ni208  1  0.914181  0.410444  0.720665  1
  Ni  Ni209  1  0.846918  0.711457  0.707889  1
  Ni  Ni210  1  0.364792  0.677354  0.685331  1
  Ni  Ni211  1  0.346918  0.211457  0.707889  1
  Ni  Ni212  1  0.864792  0.177354  0.685331  1
  Ni  Ni213  1  0.675133  0.894815  0.721146  1
  Ni  Ni214  1  0.203656  0.857603  0.700359  1
  Ni  Ni215  1  0.175133  0.394815  0.721146  1
  Ni  Ni216  1  0.703656  0.357603  0.700359  1
  H  H217  1  0.671699  0.285674  0.324526  1
  H  H218  1  0.159480  0.273731  0.295227  1
  H  H219  1  0.171699  0.785674  0.324526  1
  H  H220  1  0.659480  0.773731  0.295227  1
  H  H221  1  0.918150  0.464038  0.274652  1
  H  H222  1  0.511188  0.418077  0.287981  1
  H  H223  1  0.418150  0.964038  0.274652  1
  H  H224  1  0.011188  0.918077  0.287981  1
  H  H225  1  0.654675  0.331487  0.377642  1
  H  H226  1  0.150486  0.321961  0.350133  1
  H  H227  1  0.154675  0.831487  0.377642  1
  H  H228  1  0.650486  0.821961  0.350133  1
  H  H229  1  0.995110  0.457680  0.314285  1
  H  H230  1  0.497261  0.468735  0.343097  1
  H  H231  1  0.495110  0.957680  0.314285  1
  H  H232  1  0.997261  0.968735  0.343097  1
  H  H233  1  0.637852  0.378925  0.429307  1
  H  H234  1  0.134455  0.367016  0.402505  1
  H  H235  1  0.137852  0.878925  0.429307  1
  H  H236  1  0.634455  0.867016  0.402505  1
  H  H237  1  0.975651  0.504903  0.368038  1
  H  H238  1  0.479596  0.516551  0.394808  1
  H  H239  1  0.475651  1.004903  0.368038  1
  H  H240  1  0.979596  0.016551  0.394808  1
  H  H241  1  0.621540  0.425566  0.480933  1
  H  H242  1  0.118665  0.412905  0.454335  1
  H  H243  1  0.121540  0.925566  0.480933  1
  H  H244  1  0.618665  0.912905  0.454335  1
  H  H245  1  0.960053  0.551001  0.419815  1
  H  H246  1  0.463144  0.563385  0.446393  1
  H  H247  1  0.460053  0.051001  0.419815  1
  H  H248  1  0.963144  0.063385  0.446393  1
  H  H249  1  0.605434  0.471982  0.532568  1
  H  H250  1  0.102638  0.459203  0.506031  1
  H  H251  1  0.105434  0.971982  0.532568  1
  H  H252  1  0.602638  0.959203  0.506031  1
  H  H253  1  0.944109  0.597145  0.471483  1
  H  H254  1  0.446905  0.609924  0.498020  1
  H  H255  1  0.444109  0.097145  0.471483  1
  H  H256  1  0.946905  0.109924  0.498020  1
  H  H257  1  0.589490  0.518127  0.584236  1
  H  H258  1  0.086398  0.505742  0.557657  1
  H  H259  1  0.089490  0.018127  0.584236  1
  H  H260  1  0.586398  0.005742  0.557657  1
  H  H261  1  0.928002  0.643562  0.523118  1
  H  H262  1  0.430878  0.656222  0.549716  1
  H  H263  1  0.428002  0.143562  0.523118  1
  H  H264  1  0.930878  0.156222  0.549716  1
  H  H265  1  0.573891  0.564224  0.636013  1
  H  H266  1  0.069946  0.552576  0.609242  1
  H  H267  1  0.073891  0.064224  0.636013  1
  H  H268  1  0.569946  0.052576  0.609242  1
  H  H269  1  0.911690  0.690202  0.574744  1
  H  H270  1  0.415088  0.702111  0.601546  1
  H  H271  1  0.411690  0.190202  0.574744  1
  H  H272  1  0.915088  0.202111  0.601546  1
  H  H273  1  0.554433  0.611448  0.689766  1
  H  H274  1  0.052281  0.600392  0.660954  1
  H  H275  1  0.054433  0.111448  0.689766  1
  H  H276  1  0.552281  0.100392  0.660954  1
  H  H277  1  0.894868  0.737640  0.626409  1
  H  H278  1  0.399057  0.747166  0.653918  1
  H  H279  1  0.394868  0.237640  0.626409  1
  H  H280  1  0.899057  0.247166  0.653918  1
  H  H281  1  0.631393  0.605090  0.729399  1
  H  H282  1  0.038355  0.651050  0.716070  1
  H  H283  1  0.131393  0.105090  0.729399  1
  H  H284  1  0.538355  0.151050  0.716070  1
  H  H285  1  0.877843  0.783454  0.679525  1
  H  H286  1  0.390063  0.795396  0.708824  1
  H  H287  1  0.377843  0.283454  0.679525  1
  H  H288  1  0.890063  0.295396  0.708824  1
