# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82318241
_cell_length_b   6.83069835
_cell_length_c   48.56338834
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.18301299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni84 H28'
_cell_volume   2124.41554191
_cell_formula_units_Z   28
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  0.660688  0.914293  0.273987  1
  Ni  Ni2  1  0.927985  0.034751  0.307690  1
  Ni  Ni3  1  0.442933  0.417212  0.302950  1
  Ni  Ni4  1  0.110183  0.301403  0.276061  1
  Ni  Ni5  1  0.430231  0.044461  0.304035  1
  Ni  Ni6  1  0.125957  0.944588  0.274378  1
  Ni  Ni7  1  0.279538  0.674127  0.286532  1
  Ni  Ni8  1  0.583405  0.779605  0.319895  1
  Ni  Ni9  1  0.056293  0.418008  0.322203  1
  Ni  Ni10  1  0.763619  0.286149  0.289718  1
  Ni  Ni11  1  0.099984  0.784277  0.322580  1
  Ni  Ni12  1  0.824067  0.655045  0.289229  1
  Ni  Ni13  1  0.228213  0.155911  0.337334  1
  Ni  Ni14  1  0.516813  0.262048  0.372122  1
  Ni  Ni15  1  0.034444  0.637637  0.371017  1
  Ni  Ni16  1  0.739389  0.525724  0.337175  1
  Ni  Ni17  1  0.013210  0.269910  0.371201  1
  Ni  Ni18  1  0.715814  0.157778  0.338464  1
  Ni  Ni19  1  0.876138  0.895462  0.354147  1
  Ni  Ni20  1  0.172750  0.010290  0.386706  1
  Ni  Ni21  1  0.655257  0.630649  0.388665  1
  Ni  Ni22  1  0.360396  0.520186  0.354334  1
  Ni  Ni23  1  0.679577  1.000424  0.388453  1
  Ni  Ni24  1  0.389024  0.889518  0.354528  1
  Ni  Ni25  1  0.813880  0.372020  0.405880  1
  Ni  Ni26  1  0.108639  0.484485  0.439704  1
  Ni  Ni27  1  0.623129  0.863411  0.438284  1
  Ni  Ni28  1  0.328571  0.751847  0.404561  1
  Ni  Ni29  1  0.601045  0.495285  0.438682  1
  Ni  Ni30  1  0.305710  0.383910  0.404957  1
  Ni  Ni31  1  0.465445  0.122449  0.420789  1
  Ni  Ni32  1  0.760953  0.233728  0.454445  1
  Ni  Ni33  1  0.246580  0.855341  0.455944  1
  Ni  Ni34  1  0.952124  0.743023  0.422170  1
  Ni  Ni35  1  0.269138  0.223486  0.455575  1
  Ni  Ni36  1  0.975484  0.110919  0.421816  1
  Ni  Ni37  1  0.403570  0.596578  0.473375  1
  Ni  Ni38  1  0.698513  0.708482  0.507047  1
  Ni  Ni39  1  0.212695  0.087103  0.505613  1
  Ni  Ni40  1  0.917969  0.975290  0.471926  1
  Ni  Ni41  1  0.190120  0.719108  0.506041  1
  Ni  Ni42  1  0.895651  0.607242  0.472338  1
  Ni  Ni43  1  0.055530  0.345768  0.488212  1
  Ni  Ni44  1  0.350473  0.457672  0.521883  1
  Ni  Ni45  1  0.836074  0.078960  0.523332  1
  Ni  Ni46  1  0.541349  0.967148  0.489645  1
  Ni  Ni47  1  0.858392  0.447008  0.522921  1
  Ni  Ni48  1  0.563924  0.335143  0.489218  1
  Ni  Ni49  1  0.993090  0.820522  0.540813  1
  Ni  Ni50  1  0.288598  0.931801  0.574469  1
  Ni  Ni51  1  0.801920  0.311227  0.573089  1
  Ni  Ni52  1  0.507463  0.198909  0.539315  1
  Ni  Ni53  1  0.778559  0.943332  0.573443  1
  Ni  Ni54  1  0.484905  0.830764  0.539684  1
  Ni  Ni55  1  0.645405  0.569765  0.555554  1
  Ni  Ni56  1  0.940164  0.682230  0.589379  1
  Ni  Ni57  1  0.425472  0.302403  0.590698  1
  Ni  Ni58  1  0.130914  0.190839  0.556975  1
  Ni  Ni59  1  0.448333  0.670340  0.590302  1
  Ni  Ni60  1  0.152998  0.558965  0.556577  1
  Ni  Ni61  1  0.581293  0.043960  0.608552  1
  Ni  Ni62  1  0.877905  0.158788  0.641112  1
  Ni  Ni63  1  0.393647  0.534064  0.640925  1
  Ni  Ni64  1  0.098786  0.423602  0.606593  1
  Ni  Ni65  1  0.365020  0.164732  0.640731  1
  Ni  Ni66  1  0.074467  0.053826  0.606805  1
  Ni  Ni67  1  0.237231  0.792203  0.623137  1
  Ni  Ni68  1  0.525830  0.898339  0.657925  1
  Ni  Ni69  1  0.014654  0.528526  0.658083  1
  Ni  Ni70  1  0.719599  0.416614  0.624241  1
  Ni  Ni71  1  0.038230  0.896472  0.656794  1
  Ni  Ni72  1  0.740833  0.784341  0.624058  1
  Ni  Ni73  1  0.170638  0.274645  0.675364  1
  Ni  Ni74  1  0.474506  0.380124  0.708726  1
  Ni  Ni75  1  0.990424  0.768101  0.705541  1
  Ni  Ni76  1  0.697751  0.636242  0.673055  1
  Ni  Ni77  1  0.929976  0.399205  0.706029  1
  Ni  Ni78  1  0.654059  0.269973  0.672678  1
  Ni  Ni79  1  0.826059  0.019500  0.687568  1
  Ni  Ni80  1  0.093355  0.139958  0.721272  1
  Ni  Ni81  1  0.643861  0.752847  0.719197  1
  Ni  Ni82  1  0.311110  0.637038  0.692308  1
  Ni  Ni83  1  0.628086  0.109663  0.720880  1
  Ni  Ni84  1  0.323812  0.009789  0.691224  1
  H  H85  1  0.240709  0.167058  0.292287  1
  H  H86  1  0.896763  0.093074  0.270606  1
  H  H87  1  0.308080  0.632273  0.321346  1
  H  H88  1  1.005485  0.487853  0.282412  1
  H  H89  1  0.794587  0.402396  0.367972  1
  H  H90  1  0.502566  0.292078  0.332579  1
  H  H91  1  0.893245  0.868005  0.392193  1
  H  H92  1  0.597212  0.753607  0.358228  1
  H  H93  1  0.386011  0.627514  0.435065  1
  H  H94  1  0.091281  0.514775  0.401493  1
  H  H95  1  0.483762  0.091084  0.459114  1
  H  H96  1  0.189791  0.978160  0.425216  1
  H  H97  1  0.975519  0.851366  0.502454  1
  H  H98  1  0.680935  0.739183  0.468725  1
  H  H99  1  0.073109  0.315067  0.526533  1
  H  H100  1  0.778525  0.202885  0.492805  1
  H  H101  1  0.564253  0.076090  0.570043  1
  H  H102  1  0.270282  0.963167  0.536144  1
  H  H103  1  0.662762  0.539475  0.593765  1
  H  H104  1  0.368032  0.426736  0.560194  1
  H  H105  1  0.156831  0.300643  0.637030  1
  H  H106  1  0.860799  0.186245  0.603066  1
  H  H107  1  0.251477  0.762172  0.662680  1
  H  H108  1  0.959457  0.651854  0.627286  1
  H  H109  1  0.748559  0.566397  0.712847  1
  H  H110  1  0.445964  0.421977  0.673912  1
  H  H111  1  0.857280  0.961177  0.724653  1
  H  H112  1  0.513334  0.887193  0.702971  1
