# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.24269995
_cell_length_b   9.49488499
_cell_length_c   46.56832323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.40571286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni270 H90'
_cell_volume   7009.07949063
_cell_formula_units_Z   90
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  0.223420  0.084830  0.292153  1
  Ni  Ni2  1  0.890086  0.084830  0.292153  1
  Ni  Ni3  1  0.182098  0.897711  0.324124  1
  Ni  Ni4  1  0.556753  0.084830  0.292153  1
  Ni  Ni5  1  0.848765  0.897711  0.324124  1
  Ni  Ni6  1  0.139512  0.708234  0.354052  1
  Ni  Ni7  1  0.515432  0.897711  0.324124  1
  Ni  Ni8  1  0.806178  0.708234  0.354052  1
  Ni  Ni9  1  0.472845  0.708234  0.354052  1
  Ni  Ni10  1  0.187264  0.333480  0.353467  1
  Ni  Ni11  1  0.853931  0.333480  0.353467  1
  Ni  Ni12  1  0.277453  0.715098  0.293933  1
  Ni  Ni13  1  0.520597  0.333480  0.353467  1
  Ni  Ni14  1  0.944120  0.715098  0.293933  1
  Ni  Ni15  1  0.234886  0.520147  0.324365  1
  Ni  Ni16  1  0.610786  0.715098  0.293933  1
  Ni  Ni17  1  0.901553  0.520147  0.324365  1
  Ni  Ni18  1  0.568219  0.520147  0.324365  1
  Ni  Ni19  1  0.362746  0.975879  0.307022  1
  Ni  Ni20  1  0.029413  0.975879  0.307022  1
  Ni  Ni21  1  0.324819  0.794846  0.339352  1
  Ni  Ni22  1  0.696080  0.975879  0.307022  1
  Ni  Ni23  1  0.991485  0.794846  0.339352  1
  Ni  Ni24  1  0.404886  0.175338  0.280282  1
  Ni  Ni25  1  0.658152  0.794846  0.339352  1
  Ni  Ni26  1  0.071553  0.175338  0.280282  1
  Ni  Ni27  1  0.738220  0.175338  0.280282  1
  Ni  Ni28  1  0.525993  0.535284  0.274423  1
  Ni  Ni29  1  0.192659  0.535284  0.274423  1
  Ni  Ni30  1  0.487734  0.343363  0.300072  1
  Ni  Ni31  1  0.859326  0.535284  0.274423  1
  Ni  Ni32  1  0.154400  0.343363  0.300072  1
  Ni  Ni33  1  0.443993  0.154961  0.330825  1
  Ni  Ni34  1  0.821067  0.343363  0.300072  1
  Ni  Ni35  1  0.110660  0.154961  0.330825  1
  Ni  Ni36  1  0.777326  0.154961  0.330825  1
  Ni  Ni37  1  0.439708  0.716681  0.302256  1
  Ni  Ni38  1  0.106374  0.716681  0.302256  1
  Ni  Ni39  1  0.396187  0.530410  0.330116  1
  Ni  Ni40  1  0.773041  0.716681  0.302256  1
  Ni  Ni41  1  0.062854  0.530410  0.330116  1
  Ni  Ni42  1  0.484007  0.905481  0.274871  1
  Ni  Ni43  1  0.729520  0.530410  0.330116  1
  Ni  Ni44  1  0.150674  0.905481  0.274871  1
  Ni  Ni45  1  0.817340  0.905481  0.274871  1
  Ni  Ni46  1  0.258872  0.068038  0.346387  1
  Ni  Ni47  1  0.925539  0.068038  0.346387  1
  Ni  Ni48  1  0.344606  0.450294  0.285919  1
  Ni  Ni49  1  0.592205  0.068038  0.346387  1
  Ni  Ni50  1  0.011273  0.450294  0.285919  1
  Ni  Ni51  1  0.299102  0.255075  0.315274  1
  Ni  Ni52  1  0.677940  0.450294  0.285919  1
  Ni  Ni53  1  0.965769  0.255075  0.315274  1
  Ni  Ni54  1  0.632436  0.255075  0.315274  1
  Ni  Ni55  1  0.096112  0.521971  0.384149  1
  Ni  Ni56  1  0.762779  0.521971  0.384149  1
  Ni  Ni57  1  0.052797  0.337577  0.414635  1
  Ni  Ni58  1  0.429445  0.521971  0.384149  1
  Ni  Ni59  1  0.719463  0.337577  0.414635  1
  Ni  Ni60  1  0.008701  0.152735  0.445672  1
  Ni  Ni61  1  0.386130  0.337577  0.414635  1
  Ni  Ni62  1  0.675368  0.152735  0.445672  1
  Ni  Ni63  1  0.342034  0.152735  0.445672  1
  Ni  Ni64  1  0.058752  0.775476  0.445568  1
  Ni  Ni65  1  0.725418  0.775476  0.445568  1
  Ni  Ni66  1  0.146429  0.147312  0.384316  1
  Ni  Ni67  1  0.392085  0.775476  0.445568  1
  Ni  Ni68  1  0.813095  0.147312  0.384316  1
  Ni  Ni69  1  0.101639  0.961849  0.414653  1
  Ni  Ni70  1  0.479762  0.147312  0.384316  1
  Ni  Ni71  1  0.768305  0.961849  0.414653  1
  Ni  Ni72  1  0.434972  0.961849  0.414653  1
  Ni  Ni73  1  0.239258  0.425110  0.399276  1
  Ni  Ni74  1  0.905924  0.425110  0.399276  1
  Ni  Ni75  1  0.195050  0.239199  0.430037  1
  Ni  Ni76  1  0.572591  0.425110  0.399276  1
  Ni  Ni77  1  0.861717  0.239199  0.430037  1
  Ni  Ni78  1  0.282955  0.611892  0.369126  1
  Ni  Ni79  1  0.528384  0.239199  0.430037  1
  Ni  Ni80  1  0.949622  0.611892  0.369126  1
  Ni  Ni81  1  0.616289  0.611892  0.369126  1
  Ni  Ni82  1  0.402441  0.970674  0.360937  1
  Ni  Ni83  1  0.069108  0.970674  0.360937  1
  Ni  Ni84  1  0.360807  0.784528  0.392208  1
  Ni  Ni85  1  0.735775  0.970674  0.360937  1
  Ni  Ni86  1  0.027474  0.784528  0.392208  1
  Ni  Ni87  1  0.317423  0.598349  0.422650  1
  Ni  Ni88  1  0.694140  0.784528  0.392208  1
  Ni  Ni89  1  0.984089  0.598349  0.422650  1
  Ni  Ni90  1  0.650756  0.598349  0.422650  1
  Ni  Ni91  1  0.310603  0.161595  0.391816  1
  Ni  Ni92  1  0.977270  0.161595  0.391816  1
  Ni  Ni93  1  0.267194  0.975611  0.423021  1
  Ni  Ni94  1  0.643937  0.161595  0.391816  1
  Ni  Ni95  1  0.933861  0.975611  0.423021  1
  Ni  Ni96  1  0.351672  0.347223  0.360175  1
  Ni  Ni97  1  0.600527  0.975611  0.423021  1
  Ni  Ni98  1  0.018339  0.347223  0.360175  1
  Ni  Ni99  1  0.685006  0.347223  0.360175  1
  Ni  Ni100  1  0.130753  0.510337  0.438554  1
  Ni  Ni101  1  0.797419  0.510337  0.438554  1
  Ni  Ni102  1  0.216912  0.882469  0.377678  1
  Ni  Ni103  1  0.464086  0.510337  0.438554  1
  Ni  Ni104  1  0.883579  0.882469  0.377678  1
  Ni  Ni105  1  0.174232  0.695840  0.408131  1
  Ni  Ni106  1  0.550245  0.882469  0.377678  1
  Ni  Ni107  1  0.840898  0.695840  0.408131  1
  Ni  Ni108  1  0.507565  0.695840  0.408131  1
  Ni  Ni109  1  0.964714  0.966681  0.476506  1
  Ni  Ni110  1  0.631381  0.966681  0.476506  1
  Ni  Ni111  1  0.920792  0.780544  0.507146  1
  Ni  Ni112  1  0.298047  0.966681  0.476506  1
  Ni  Ni113  1  0.587459  0.780544  0.507146  1
  Ni  Ni114  1  0.876611  0.594559  0.537805  1
  Ni  Ni115  1  0.254125  0.780544  0.507146  1
  Ni  Ni116  1  0.543277  0.594559  0.537805  1
  Ni  Ni117  1  0.209944  0.594559  0.537805  1
  Ni  Ni118  1  0.926702  0.217957  0.537285  1
  Ni  Ni119  1  0.593368  0.217957  0.537285  1
  Ni  Ni120  1  0.014891  0.589539  0.476146  1
  Ni  Ni121  1  0.260035  0.217957  0.537285  1
  Ni  Ni122  1  0.681558  0.589539  0.476146  1
  Ni  Ni123  1  0.970686  0.403870  0.506689  1
  Ni  Ni124  1  0.348224  0.589539  0.476146  1
  Ni  Ni125  1  0.637352  0.403870  0.506689  1
  Ni  Ni126  1  0.304019  0.403870  0.506689  1
  Ni  Ni127  1  0.107072  0.867734  0.491203  1
  Ni  Ni128  1  0.773739  0.867734  0.491203  1
  Ni  Ni129  1  0.063248  0.682223  0.521847  1
  Ni  Ni130  1  0.440405  0.867734  0.491203  1
  Ni  Ni131  1  0.729915  0.682223  0.521847  1
  Ni  Ni132  1  0.150817  0.053126  0.460474  1
  Ni  Ni133  1  0.396581  0.682223  0.521847  1
  Ni  Ni134  1  0.817484  0.053126  0.460474  1
  Ni  Ni135  1  0.484151  0.053126  0.460474  1
  Ni  Ni136  1  0.273523  0.412670  0.453136  1
  Ni  Ni137  1  0.940190  0.412670  0.453136  1
  Ni  Ni138  1  0.229342  0.226686  0.483794  1
  Ni  Ni139  1  0.606856  0.412670  0.453136  1
  Ni  Ni140  1  0.896008  0.226686  0.483794  1
  Ni  Ni141  1  0.185420  0.040549  0.514434  1
  Ni  Ni142  1  0.562675  0.226686  0.483794  1
  Ni  Ni143  1  0.852086  0.040549  0.514434  1
  Ni  Ni144  1  0.518753  0.040549  0.514434  1
  Ni  Ni145  1  0.179448  0.603360  0.484251  1
  Ni  Ni146  1  0.846115  0.603360  0.484251  1
  Ni  Ni147  1  0.135243  0.417691  0.514795  1
  Ni  Ni148  1  0.512781  0.603360  0.484251  1
  Ni  Ni149  1  0.801910  0.417691  0.514795  1
  Ni  Ni150  1  0.223432  0.789272  0.453655  1
  Ni  Ni151  1  0.468576  0.417691  0.514795  1
  Ni  Ni152  1  0.890099  0.789272  0.453655  1
  Ni  Ni153  1  0.556766  0.789272  0.453655  1
  Ni  Ni154  1  0.999317  0.954103  0.530467  1
  Ni  Ni155  1  0.665983  0.954103  0.530467  1
  Ni  Ni156  1  0.086886  0.325007  0.469093  1
  Ni  Ni157  1  0.332650  0.954103  0.530467  1
  Ni  Ni158  1  0.753552  0.325007  0.469093  1
  Ni  Ni159  1  0.043062  0.139495  0.499737  1
  Ni  Ni160  1  0.420219  0.325007  0.469093  1
  Ni  Ni161  1  0.709728  0.139495  0.499737  1
  Ni  Ni162  1  0.376395  0.139495  0.499737  1
  Ni  Ni163  1  0.832711  0.408881  0.568290  1
  Ni  Ni164  1  0.499378  0.408881  0.568290  1
  Ni  Ni165  1  0.789327  0.222701  0.598732  1
  Ni  Ni166  1  0.166045  0.408881  0.568290  1
  Ni  Ni167  1  0.455993  0.222701  0.598732  1
  Ni  Ni168  1  0.747693  0.036556  0.630004  1
  Ni  Ni169  1  0.122660  0.222701  0.598732  1
  Ni  Ni170  1  0.414359  0.036556  0.630004  1
  Ni  Ni171  1  0.081026  0.036556  0.630004  1
  Ni  Ni172  1  0.798462  0.660007  0.630766  1
  Ni  Ni173  1  0.465128  0.660007  0.630766  1
  Ni  Ni174  1  0.882940  0.031619  0.567920  1
  Ni  Ni175  1  0.131795  0.660007  0.630766  1
  Ni  Ni176  1  0.549606  0.031619  0.567920  1
  Ni  Ni177  1  0.839531  0.845635  0.599124  1
  Ni  Ni178  1  0.216273  0.031619  0.567920  1
  Ni  Ni179  1  0.506197  0.845635  0.599124  1
  Ni  Ni180  1  0.172864  0.845635  0.599124  1
  Ni  Ni181  1  0.975902  0.311389  0.582810  1
  Ni  Ni182  1  0.642569  0.311389  0.582810  1
  Ni  Ni183  1  0.933222  0.124760  0.613263  1
  Ni  Ni184  1  0.309235  0.311389  0.582810  1
  Ni  Ni185  1  0.599888  0.124760  0.613263  1
  Ni  Ni186  1  0.019381  0.496893  0.552386  1
  Ni  Ni187  1  0.266555  0.124760  0.613263  1
  Ni  Ni188  1  0.686048  0.496893  0.552386  1
  Ni  Ni189  1  0.352715  0.496893  0.552386  1
  Ni  Ni190  1  0.141433  0.854495  0.545268  1
  Ni  Ni191  1  0.808099  0.854495  0.545268  1
  Ni  Ni192  1  0.097337  0.669653  0.576305  1
  Ni  Ni193  1  0.474766  0.854495  0.545268  1
  Ni  Ni194  1  0.764004  0.669653  0.576305  1
  Ni  Ni195  1  0.054022  0.485259  0.606792  1
  Ni  Ni196  1  0.430671  0.669653  0.576305  1
  Ni  Ni197  1  0.720689  0.485259  0.606792  1
  Ni  Ni198  1  0.387355  0.485259  0.606792  1
  Ni  Ni199  1  0.048495  0.045380  0.576288  1
  Ni  Ni200  1  0.715162  0.045380  0.576288  1
  Ni  Ni201  1  0.003705  0.859918  0.606624  1
  Ni  Ni202  1  0.381828  0.045380  0.576288  1
  Ni  Ni203  1  0.670372  0.859918  0.606624  1
  Ni  Ni204  1  0.091382  0.231753  0.545373  1
  Ni  Ni205  1  0.337039  0.859918  0.606624  1
  Ni  Ni206  1  0.758049  0.231753  0.545373  1
  Ni  Ni207  1  0.424715  0.231753  0.545373  1
  Ni  Ni208  1  0.867178  0.395337  0.621814  1
  Ni  Ni209  1  0.533845  0.395337  0.621814  1
  Ni  Ni210  1  0.955083  0.768031  0.560903  1
  Ni  Ni211  1  0.200512  0.395337  0.621814  1
  Ni  Ni212  1  0.621750  0.768031  0.560903  1
  Ni  Ni213  1  0.910876  0.582119  0.591664  1
  Ni  Ni214  1  0.288417  0.768031  0.560903  1
  Ni  Ni215  1  0.577543  0.582119  0.591664  1
  Ni  Ni216  1  0.244209  0.582119  0.591664  1
  Ni  Ni217  1  0.706141  0.852269  0.660115  1
  Ni  Ni218  1  0.372808  0.852269  0.660115  1
  Ni  Ni219  1  0.662400  0.663866  0.690868  1
  Ni  Ni220  1  0.039474  0.852269  0.660115  1
  Ni  Ni221  1  0.329067  0.663866  0.690868  1
  Ni  Ni222  1  0.624141  0.471946  0.716517  1
  Ni  Ni223  1  0.995734  0.663866  0.690868  1
  Ni  Ni224  1  0.290808  0.471946  0.716517  1
  Ni  Ni225  1  0.957474  0.471946  0.716517  1
  Ni  Ni226  1  0.666127  0.101748  0.716069  1
  Ni  Ni227  1  0.332793  0.101748  0.716069  1
  Ni  Ni228  1  0.753947  0.476819  0.660824  1
  Ni  Ni229  1  0.999460  0.101748  0.716069  1
  Ni  Ni230  1  0.420614  0.476819  0.660824  1
  Ni  Ni231  1  0.710426  0.290549  0.688684  1
  Ni  Ni232  1  0.087280  0.476819  0.660824  1
  Ni  Ni233  1  0.377093  0.290549  0.688684  1
  Ni  Ni234  1  0.043760  0.290549  0.688684  1
  Ni  Ni235  1  0.851032  0.752155  0.675666  1
  Ni  Ni236  1  0.517698  0.752155  0.675666  1
  Ni  Ni237  1  0.805528  0.556936  0.705021  1
  Ni  Ni238  1  0.184365  0.752155  0.675666  1
  Ni  Ni239  1  0.472194  0.556936  0.705021  1
  Ni  Ni240  1  0.891262  0.939192  0.644554  1
  Ni  Ni241  1  0.138861  0.556936  0.705021  1
  Ni  Ni242  1  0.557928  0.939192  0.644554  1
  Ni  Ni243  1  0.224595  0.939192  0.644554  1
  Ni  Ni244  1  0.010622  0.298995  0.636889  1
  Ni  Ni245  1  0.677289  0.298995  0.636889  1
  Ni  Ni246  1  0.968035  0.109518  0.666816  1
  Ni  Ni247  1  0.343955  0.298995  0.636889  1
  Ni  Ni248  1  0.634702  0.109518  0.666816  1
  Ni  Ni249  1  0.926714  0.922400  0.698788  1
  Ni  Ni250  1  0.301369  0.109518  0.666816  1
  Ni  Ni251  1  0.593381  0.922400  0.698788  1
  Ni  Ni252  1  0.260047  0.922400  0.698788  1
  Ni  Ni253  1  0.915248  0.487083  0.666575  1
  Ni  Ni254  1  0.581914  0.487083  0.666575  1
  Ni  Ni255  1  0.872681  0.292132  0.697007  1
  Ni  Ni256  1  0.248581  0.487083  0.666575  1
  Ni  Ni257  1  0.539348  0.292132  0.697007  1
  Ni  Ni258  1  0.962870  0.673749  0.637474  1
  Ni  Ni259  1  0.206014  0.292132  0.697007  1
  Ni  Ni260  1  0.629536  0.673749  0.637474  1
  Ni  Ni261  1  0.296203  0.673749  0.637474  1
  Ni  Ni262  1  0.745247  0.831892  0.710658  1
  Ni  Ni263  1  0.411914  0.831892  0.710658  1
  Ni  Ni264  1  0.825315  0.212383  0.651589  1
  Ni  Ni265  1  0.078581  0.831892  0.710658  1
  Ni  Ni266  1  0.491982  0.212383  0.651589  1
  Ni  Ni267  1  0.787388  0.031351  0.683918  1
  Ni  Ni268  1  0.158649  0.212383  0.651589  1
  Ni  Ni269  1  0.454054  0.031351  0.683918  1
  Ni  Ni270  1  0.120721  0.031351  0.683918  1
  H  H271  1  0.247031  0.900192  0.286479  1
  H  H272  1  0.913698  0.900192  0.286479  1
  H  H273  1  0.229388  0.708009  0.328015  1
  H  H274  1  0.580365  0.900192  0.286479  1
  H  H275  1  0.896054  0.708009  0.328015  1
  H  H276  1  0.315994  0.125838  0.282311  1
  H  H277  1  0.562721  0.708009  0.328015  1
  H  H278  1  0.982661  0.125838  0.282311  1
  H  H279  1  0.649328  0.125838  0.282311  1
  H  H280  1  0.344149  0.164826  0.351800  1
  H  H281  1  0.010815  0.164826  0.351800  1
  H  H282  1  0.432265  0.529876  0.286698  1
  H  H283  1  0.677482  0.164826  0.351800  1
  H  H284  1  0.098931  0.529876  0.286698  1
  H  H285  1  0.387841  0.330719  0.312889  1
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  H  H309  1  0.968686  0.589351  0.513610  1
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  H  H321  1  0.137481  0.232024  0.507934  1
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  H  H359  1  0.569769  0.107038  0.704461  1
  H  H360  1  0.236436  0.107038  0.704461  1
