# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04806293
_cell_length_b   6.25995197
_cell_length_c   73.42437763
_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   'Ni120 H40'
_cell_volume   3239.52285252
_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  0.054810  0.963766  0.191075  1
  Ni  Ni2  1  0.068663  0.519010  0.148354  1
  Ni  Ni3  1  0.704734  0.963597  0.191821  1
  Ni  Ni4  1  0.695964  0.520613  0.148340  1
  Ni  Ni5  1  0.379534  1.158749  0.187709  1
  Ni  Ni6  1  0.382373  0.729838  0.147760  1
  Ni  Ni7  1  0.557618  0.667120  0.176289  1
  Ni  Ni8  1  0.546330  1.097174  0.219947  1
  Ni  Ni9  1  0.207301  0.661333  0.176317  1
  Ni  Ni10  1  0.196436  1.100585  0.219930  1
  Ni  Ni11  1  -0.116369  0.788729  0.164223  1
  Ni  Ni12  1  0.877736  1.246267  0.208648  1
  Ni  Ni13  1  0.569920  1.016583  0.160238  1
  Ni  Ni14  1  0.559616  1.452083  0.205138  1
  Ni  Ni15  1  0.199981  1.016832  0.160045  1
  Ni  Ni16  1  0.207359  1.447113  0.204995  1
  Ni  Ni17  1  -0.116600  1.164057  0.152069  1
  Ni  Ni18  1  -0.117304  0.604986  0.194107  1
  Ni  Ni19  1  0.056044  0.749914  0.220922  1
  Ni  Ni20  1  0.053522  1.315985  0.177152  1
  Ni  Ni21  1  0.705291  0.753072  0.221050  1
  Ni  Ni22  1  0.701619  1.319051  0.177154  1
  Ni  Ni23  1  0.377706  0.809633  0.202845  1
  Ni  Ni24  1  0.381345  1.367047  0.159446  1
  Ni  Ni25  1  0.046971  0.839182  0.280930  1
  Ni  Ni26  1  0.047542  1.402413  0.236234  1
  Ni  Ni27  1  0.691282  0.835710  0.280279  1
  Ni  Ni28  1  0.691202  1.396606  0.236196  1
  Ni  Ni29  1  0.371708  1.043976  0.276950  1
  Ni  Ni30  1  0.374311  0.606147  0.232552  1
  Ni  Ni31  1  0.549913  0.531699  0.264582  1
  Ni  Ni32  1  0.555077  0.976052  0.308842  1
  Ni  Ni33  1  0.201639  0.544818  0.264535  1
  Ni  Ni34  1  0.202936  0.977156  0.308847  1
  Ni  Ni35  1  0.871791  0.683955  0.253025  1
  Ni  Ni36  1  0.873172  1.122725  0.297478  1
  Ni  Ni37  1  0.547361  0.888759  0.249080  1
  Ni  Ni38  1  0.546340  1.326132  0.293887  1
  Ni  Ni39  1  0.191080  0.891536  0.249701  1
  Ni  Ni40  1  0.191282  1.331931  0.293904  1
  Ni  Ni41  1  0.873948  1.042003  0.238223  1
  Ni  Ni42  1  0.871385  0.480248  0.282636  1
  Ni  Ni43  1  0.048384  0.630876  0.310070  1
  Ni  Ni44  1  0.050466  1.196078  0.265513  1
  Ni  Ni45  1  0.701366  0.623886  0.309875  1
  Ni  Ni46  1  0.700967  1.183398  0.265593  1
  Ni  Ni47  1  0.374139  0.687060  0.292007  1
  Ni  Ni48  1  0.370311  1.247292  0.247270  1
  Ni  Ni49  1  0.052631  0.715381  0.370015  1
  Ni  Ni50  1  0.059747  1.275819  0.325118  1
  Ni  Ni51  1  0.696928  0.713072  0.369149  1
  Ni  Ni52  1  0.703607  1.276876  0.325106  1
  Ni  Ni53  1  0.378781  0.921107  0.365848  1
  Ni  Ni54  1  0.376740  0.485728  0.321481  1
  Ni  Ni55  1  0.549041  1.410790  0.353248  1
  Ni  Ni56  1  0.559124  0.852054  0.397674  1
  Ni  Ni57  1  0.200596  1.417380  0.353513  1
  Ni  Ni58  1  0.209710  0.855307  0.398028  1
  Ni  Ni59  1  0.876263  0.560168  0.342023  1
  Ni  Ni60  1  0.878967  0.999051  0.386465  1
  Ni  Ni61  1  0.555458  0.766434  0.338180  1
  Ni  Ni62  1  0.552356  1.204569  0.382322  1
  Ni  Ni63  1  0.196657  0.766491  0.338607  1
  Ni  Ni64  1  0.196840  1.206506  0.383265  1
  Ni  Ni65  1  0.878057  0.918847  0.327152  1
  Ni  Ni66  1  0.875933  1.357169  0.371699  1
  Ni  Ni67  1  0.049520  0.508031  0.398995  1
  Ni  Ni68  1  0.058917  1.067916  0.354710  1
  Ni  Ni69  1  0.700052  0.502371  0.398936  1
  Ni  Ni70  1  0.709704  1.065275  0.354320  1
  Ni  Ni71  1  0.376517  0.563072  0.380672  1
  Ni  Ni72  1  0.380676  1.121307  0.335902  1
  Ni  Ni73  1  0.068901  0.590625  0.458433  1
  Ni  Ni74  1  0.054884  1.152224  0.414427  1
  Ni  Ni75  1  0.713200  0.593895  0.458581  1
  Ni  Ni76  1  0.699073  1.154263  0.413648  1
  Ni  Ni77  1  0.385122  0.799421  0.454825  1
  Ni  Ni78  1  0.376310  1.360089  0.410346  1
  Ni  Ni79  1  0.562837  1.294739  0.442299  1
  Ni  Ni80  1  0.554006  0.731372  0.486514  1
  Ni  Ni81  1  0.213228  1.290246  0.442345  1
  Ni  Ni82  1  0.205922  0.732520  0.486975  1
  Ni  Ni83  1  -0.117469  1.437846  0.430945  1
  Ni  Ni84  1  -0.114312  0.876381  0.475435  1
  Ni  Ni85  1  0.555888  0.642800  0.427405  1
  Ni  Ni86  1  0.568671  1.086436  0.471748  1
  Ni  Ni87  1  0.200090  0.646116  0.427125  1
  Ni  Ni88  1  0.212656  1.081981  0.471677  1
  Ni  Ni89  1  0.878337  0.795959  0.416149  1
  Ni  Ni90  1  -0.111355  1.234955  0.460651  1
  Ni  Ni91  1  0.062791  1.381890  0.488004  1
  Ni  Ni92  1  0.055202  0.944953  0.443534  1
  Ni  Ni93  1  0.714123  1.386708  0.487885  1
  Ni  Ni94  1  0.705877  0.943163  0.443353  1
  Ni  Ni95  1  0.388159  1.440653  0.469568  1
  Ni  Ni96  1  0.381916  1.001762  0.425143  1
  Ni  Ni97  1  0.050064  0.465904  0.547215  1
  Ni  Ni98  1  0.058298  1.031802  0.502941  1
  Ni  Ni99  1  0.698815  0.473940  0.545213  1
  Ni  Ni100  1  0.697803  1.028127  0.502836  1
  Ni  Ni101  1  0.381717  0.687941  0.543869  1
  Ni  Ni102  1  0.382292  1.238393  0.499320  1
  Ni  Ni103  1  0.556703  1.167959  0.531191  1
  Ni  Ni104  1  0.550801  0.622917  0.572809  1
  Ni  Ni105  1  0.207013  1.171903  0.531568  1
  Ni  Ni106  1  0.201220  0.611875  0.573525  1
  Ni  Ni107  1  0.879969  1.308825  0.519470  1
  Ni  Ni108  1  0.878247  0.741086  0.563947  1
  Ni  Ni109  1  0.552965  0.526351  0.515455  1
  Ni  Ni110  1  0.569460  0.978100  0.561410  1
  Ni  Ni111  1  0.200028  0.522552  0.516754  1
  Ni  Ni112  1  0.207467  0.962916  0.560957  1
  Ni  Ni113  1  -0.119341  0.677350  0.505517  1
  Ni  Ni114  1  -0.115567  1.106683  0.548876  1
  Ni  Ni115  1  0.066124  1.263358  0.574794  1
  Ni  Ni116  1  0.057238  0.821671  0.532923  1
  Ni  Ni117  1  0.735351  1.306949  0.573251  1
  Ni  Ni118  1  0.705689  0.822195  0.532781  1
  Ni  Ni119  1  0.385398  1.319882  0.558010  1
  Ni  Ni120  1  0.377808  0.882352  0.514284  1
  H  H121  1  0.845331  1.062113  0.172478  1
  H  H122  1  -0.117210  0.661422  0.139754  1
  H  H123  1  0.381621  0.882792  0.173003  1
  H  H124  1  0.401477  1.334972  0.222985  1
  H  H125  1  0.384923  0.975981  0.141341  1
  H  H126  1  0.408778  1.442797  0.183816  1
  H  H127  1  -0.093768  0.963809  0.212781  1
  H  H128  1  -0.118653  1.427974  0.158807  1
  H  H129  1  -0.099692  0.954547  0.262633  1
  H  H130  1  0.851233  0.515232  0.218474  1
  H  H131  1  0.400739  0.773465  0.267454  1
  H  H132  1  0.350332  1.214584  0.311750  1
  H  H133  1  0.344853  0.887031  0.228309  1
  H  H134  1  0.345076  1.325032  0.272691  1
  H  H135  1  0.845240  0.841903  0.301730  1
  H  H136  1  0.845903  1.401807  0.257270  1
  H  H137  1  -0.094355  0.830807  0.351594  1
  H  H138  1  -0.096801  1.391440  0.307097  1
  H  H139  1  0.400825  0.650335  0.356179  1
  H  H140  1  0.405578  1.089507  0.400717  1
  H  H141  1  0.376088  0.798311  0.319410  1
  H  H142  1  0.347149  1.200103  0.361459  1
  H  H143  1  0.847762  0.718347  0.390723  1
  H  H144  1  -0.093682  1.279214  0.346279  1
  H  H145  1  -0.090827  0.707660  0.440583  1
  H  H146  1  -0.097434  1.269101  0.396176  1
  H  H147  1  0.357716  0.529430  0.445171  1
  H  H148  1  0.409307  0.968796  0.489706  1
  H  H149  1  0.405404  0.641423  0.406100  1
  H  H150  1  0.413913  1.080214  0.450553  1
  H  H151  1  -0.084530  0.597852  0.479955  1
  H  H152  1  0.853123  1.157485  0.435191  1
  H  H153  1  -0.092140  0.583782  0.528830  1
  H  H154  1  0.858586  1.146504  0.485084  1
  H  H155  1  0.406975  1.412161  0.533989  1
  H  H156  1  0.378661  0.794804  0.572036  1
  H  H157  1  0.351504  0.517607  0.494932  1
  H  H158  1  0.386339  1.011203  0.543805  1
  H  H159  1  -0.031033  0.498353  0.574176  1
  H  H160  1  0.878376  0.993757  0.521429  1
