# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98146503
_cell_length_b   6.50875089
_cell_length_c   48.42096848
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.99570108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni120 H40'
_cell_volume   3122.33948066
_cell_formula_units_Z   40
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  0.532720  0.866423  0.278550  1
  Ni  Ni2  1  0.018536  0.812026  0.296181  1
  Ni  Ni3  1  0.615379  0.434037  0.302797  1
  Ni  Ni4  1  0.130497  0.484314  0.286829  1
  Ni  Ni5  1  0.765048  0.815742  0.288646  1
  Ni  Ni6  1  0.264685  0.788610  0.304742  1
  Ni  Ni7  1  0.940902  0.152467  0.286557  1
  Ni  Ni8  1  0.427250  0.134816  0.300896  1
  Ni  Ni9  1  0.870446  0.487003  0.298796  1
  Ni  Ni10  1  0.401759  0.516580  0.281242  1
  Ni  Ni11  1  0.708884  0.174188  0.276685  1
  Ni  Ni12  1  0.182675  0.132085  0.293258  1
  Ni  Ni13  1  0.485819  0.712121  0.321848  1
  Ni  Ni14  1  0.954717  0.662231  0.342070  1
  Ni  Ni15  1  0.515454  0.268453  0.348088  1
  Ni  Ni16  1  0.045814  0.328295  0.329085  1
  Ni  Ni17  1  0.718752  0.689283  0.334182  1
  Ni  Ni18  1  0.185648  0.626645  0.351460  1
  Ni  Ni19  1  0.877853  1.007071  0.329743  1
  Ni  Ni20  1  0.356440  0.947608  0.349042  1
  Ni  Ni21  1  0.784640  0.335371  0.343178  1
  Ni  Ni22  1  0.304747  0.394982  0.323366  1
  Ni  Ni23  1  0.643319  0.041373  0.320445  1
  Ni  Ni24  1  0.121500  0.983504  0.339444  1
  Ni  Ni25  1  0.415211  0.578507  0.366371  1
  Ni  Ni26  1  0.885420  0.508835  0.387601  1
  Ni  Ni27  1  0.445681  0.106746  0.395030  1
  Ni  Ni28  1  0.978352  0.177693  0.373496  1
  Ni  Ni29  1  0.644298  0.530619  0.378402  1
  Ni  Ni30  1  0.114503  0.465014  0.399048  1
  Ni  Ni31  1  0.816803  0.855509  0.376349  1
  Ni  Ni32  1  0.285174  0.784307  0.396933  1
  Ni  Ni33  1  0.721586  0.186095  0.390449  1
  Ni  Ni34  1  0.248592  0.256854  0.368586  1
  Ni  Ni35  1  0.585142  0.899823  0.365656  1
  Ni  Ni36  1  0.057133  0.831379  0.385938  1
  Ni  Ni37  1  0.350020  0.431154  0.411950  1
  Ni  Ni38  1  0.818433  0.356655  0.434042  1
  Ni  Ni39  1  0.379389  0.950463  0.441648  1
  Ni  Ni40  1  0.913958  0.025381  0.419470  1
  Ni  Ni41  1  0.576856  0.377587  0.423801  1
  Ni  Ni42  1  0.046538  0.308637  0.445400  1
  Ni  Ni43  1  0.748800  0.700002  0.421765  1
  Ni  Ni44  1  0.216502  0.627857  0.443828  1
  Ni  Ni45  1  0.654598  0.032100  0.436652  1
  Ni  Ni46  1  0.185724  0.106885  0.413937  1
  Ni  Ni47  1  0.519996  0.749168  0.410888  1
  Ni  Ni48  1  0.989086  0.677366  0.432052  1
  Ni  Ni49  1  0.283751  0.278298  0.457677  1
  Ni  Ni50  1  0.751423  0.203095  0.480170  1
  Ni  Ni51  1  0.312833  0.795750  0.487928  1
  Ni  Ni52  1  0.846127  0.871333  0.465180  1
  Ni  Ni53  1  0.510493  0.225372  0.469577  1
  Ni  Ni54  1  0.979187  0.153299  0.491447  1
  Ni  Ni55  1  0.681645  0.546519  0.467571  1
  Ni  Ni56  1  0.149201  0.472304  0.490077  1
  Ni  Ni57  1  0.587282  0.878524  0.482667  1
  Ni  Ni58  1  0.119676  0.954501  0.459752  1
  Ni  Ni59  1  0.453767  0.596845  0.456462  1
  Ni  Ni60  1  0.922285  0.523905  0.478187  1
  Ni  Ni61  1  0.216990  0.123931  0.503655  1
  Ni  Ni62  1  0.684545  0.049716  0.526161  1
  Ni  Ni63  1  0.246514  0.641734  0.533979  1
  Ni  Ni64  1  0.778909  0.717711  0.511064  1
  Ni  Ni65  1  0.443905  0.072330  0.515544  1
  Ni  Ni66  1  0.912423  0.999390  0.537269  1
  Ni  Ni67  1  0.614768  0.393141  0.513561  1
  Ni  Ni68  1  0.082439  0.317937  0.536054  1
  Ni  Ni69  1  0.520063  0.724902  0.528551  1
  Ni  Ni70  1  0.053357  0.800485  0.505804  1
  Ni  Ni71  1  0.387003  0.442936  0.502285  1
  Ni  Ni72  1  0.855697  0.370863  0.524154  1
  Ni  Ni73  1  0.149689  0.968378  0.549904  1
  Ni  Ni74  1  0.617390  0.896233  0.571966  1
  Ni  Ni75  1  0.180466  0.489350  0.579794  1
  Ni  Ni76  1  0.711592  0.564135  0.557080  1
  Ni  Ni77  1  0.377104  0.918869  0.561679  1
  Ni  Ni78  1  0.846194  0.847068  0.582843  1
  Ni  Ni79  1  0.547757  0.239580  0.559689  1
  Ni  Ni80  1  0.016171  0.165082  0.581781  1
  Ni  Ni81  1  0.452232  0.570854  0.574261  1
  Ni  Ni82  1  0.986801  0.645772  0.552083  1
  Ni  Ni83  1  0.319652  0.287598  0.548331  1
  Ni  Ni84  1  0.789334  0.218648  0.569931  1
  Ni  Ni85  1  0.081016  0.811928  0.596798  1
  Ni  Ni86  1  0.549388  0.740726  0.617382  1
  Ni  Ni87  1  0.117598  0.339381  0.625145  1
  Ni  Ni88  1  0.644604  0.410140  0.603283  1
  Ni  Ni89  1  0.309057  0.764856  0.607794  1
  Ni  Ni90  1  0.781048  0.696412  0.628075  1
  Ni  Ni91  1  0.480771  0.087400  0.606130  1
  Ni  Ni92  1  0.950979  0.017728  0.627361  1
  Ni  Ni93  1  0.387839  0.418542  0.620235  1
  Ni  Ni94  1  0.920510  0.489489  0.598701  1
  Ni  Ni95  1  0.251688  0.131221  0.594683  1
  Ni  Ni96  1  0.721892  0.065616  0.615329  1
  Ni  Ni97  1  0.009750  0.648628  0.644689  1
  Ni  Ni98  1  0.488337  0.589164  0.663989  1
  Ni  Ni99  1  0.061443  0.201253  0.670365  1
  Ni  Ni100  1  0.581550  0.260864  0.650553  1
  Ni  Ni101  1  0.244690  0.612731  0.654287  1
  Ni  Ni102  1  0.722871  0.554862  0.673286  1
  Ni  Ni103  1  0.411473  0.934004  0.651661  1
  Ni  Ni104  1  0.880371  0.884114  0.671883  1
  Ni  Ni105  1  0.320377  0.267940  0.664646  1
  Ni  Ni106  1  0.850736  0.327782  0.645643  1
  Ni  Ni107  1  0.180542  0.969590  0.642271  1
  Ni  Ni108  1  0.647438  0.906952  0.659550  1
  Ni  Ni109  1  0.938940  0.461419  0.692836  1
  Ni  Ni110  1  0.425288  0.443768  0.707174  1
  Ni  Ni111  1  0.964431  0.079655  0.712489  1
  Ni  Ni112  1  0.495744  0.109232  0.694935  1
  Ni  Ni113  1  0.183515  0.464150  0.700474  1
  Ni  Ni114  1  0.657307  0.422047  0.717046  1
  Ni  Ni115  1  0.347654  0.784209  0.697550  1
  Ni  Ni116  1  0.833471  0.729812  0.715181  1
  Ni  Ni117  1  0.235693  0.111921  0.706902  1
  Ni  Ni118  1  0.750811  0.162198  0.690934  1
  Ni  Ni119  1  0.101505  0.807625  0.688990  1
  Ni  Ni120  1  0.601142  0.780493  0.705085  1
  H  H121  1  0.567832  0.637577  0.282714  1
  H  H122  1  0.147035  0.722939  0.272919  1
  H  H123  1  0.786309  0.236444  0.305615  1
  H  H124  1  0.277713  0.340735  0.282653  1
  H  H125  1  0.566749  0.523306  0.340437  1
  H  H126  1  0.075056  0.603051  0.314368  1
  H  H127  1  0.758204  0.074403  0.356195  1
  H  H128  1  0.280631  0.067139  0.319230  1
  H  H129  1  0.472782  0.364393  0.384831  1
  H  H130  1  0.029829  0.460074  0.363709  1
  H  H131  1  0.693453  0.921481  0.402448  1
  H  H132  1  0.233675  0.997435  0.377281  1
  H  H133  1  0.403434  0.210253  0.430667  1
  H  H134  1  0.940493  0.291647  0.407700  1
  H  H135  1  0.627901  0.767779  0.448288  1
  H  H136  1  0.164429  0.845390  0.424346  1
  H  H137  1  0.336884  0.057311  0.476813  1
  H  H138  1  0.872772  0.136990  0.453730  1
  H  H139  1  0.561071  0.613933  0.494146  1
  H  H140  1  0.096021  0.692260  0.470700  1
  H  H141  1  0.270169  0.903975  0.523031  1
  H  H142  1  0.805119  0.982302  0.499585  1
  H  H143  1  0.493418  0.459245  0.540001  1
  H  H144  1  0.029306  0.538925  0.516918  1
  H  H145  1  0.201761  0.750846  0.569385  1
  H  H146  1  0.738289  0.828456  0.545443  1
  H  H147  1  0.425698  0.304588  0.586031  1
  H  H148  1  0.962756  0.385982  0.563064  1
  H  H149  1  0.132515  0.598801  0.616450  1
  H  H150  1  0.672737  0.674754  0.591283  1
  H  H151  1  0.336361  0.136161  0.630022  1
  H  H152  1  0.893408  0.231842  0.608900  1
  H  H153  1  0.085559  0.529096  0.674501  1
  H  H154  1  0.607986  0.521832  0.637536  1
  H  H155  1  0.291134  0.993184  0.679363  1
  H  H156  1  0.799441  0.072929  0.653295  1
  H  H157  1  0.088478  0.255500  0.711079  1
  H  H158  1  0.579882  0.359791  0.688116  1
  H  H159  1  0.219155  0.873296  0.720812  1
  H  H160  1  0.798358  0.958658  0.711017  1
