# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39247969
_cell_length_b   13.05359643
_cell_length_c   46.53736020
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.71695889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni96 H48'
_cell_volume   2630.06196857
_cell_formula_units_Z   48
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  0.680477  0.992894  0.279030  1
  Ni  Ni2  1  0.835547  0.315572  0.286937  1
  Ni  Ni3  1  0.995226  0.644970  0.295330  1
  Ni  Ni4  1  0.404280  0.153170  0.282852  1
  Ni  Ni5  1  0.567862  0.481024  0.291145  1
  Ni  Ni6  1  0.726821  0.812447  0.298764  1
  Ni  Ni7  1  0.159925  0.974480  0.302405  1
  Ni  Ni8  1  0.322901  0.307581  0.311593  1
  Ni  Ni9  1  0.485124  0.637295  0.319859  1
  Ni  Ni10  1  0.910453  0.143692  0.307578  1
  Ni  Ni11  1  0.072175  0.473320  0.315743  1
  Ni  Ni12  1  0.233676  0.803460  0.323513  1
  Ni  Ni13  1  0.650376  0.965775  0.330804  1
  Ni  Ni14  1  0.814838  0.296695  0.339484  1
  Ni  Ni15  1  0.979508  0.627170  0.347927  1
  Ni  Ni16  1  0.405562  0.133417  0.335089  1
  Ni  Ni17  1  0.570416  0.464870  0.343781  1
  Ni  Ni18  1  0.733303  0.793900  0.352044  1
  Ni  Ni19  1  0.146372  0.955759  0.357193  1
  Ni  Ni20  1  0.312064  0.287022  0.366461  1
  Ni  Ni21  1  0.476525  0.617633  0.375062  1
  Ni  Ni22  1  0.900631  0.124767  0.362151  1
  Ni  Ni23  1  0.064638  0.455647  0.370872  1
  Ni  Ni24  1  0.229474  0.785321  0.379477  1
  Ni  Ni25  1  0.643794  0.946555  0.385446  1
  Ni  Ni26  1  0.809003  0.277412  0.394596  1
  Ni  Ni27  1  0.973793  0.607870  0.403331  1
  Ni  Ni28  1  0.394688  0.115328  0.390198  1
  Ni  Ni29  1  0.559206  0.446021  0.399047  1
  Ni  Ni30  1  0.724966  0.775671  0.407933  1
  Ni  Ni31  1  0.139953  0.937500  0.413000  1
  Ni  Ni32  1  0.305005  0.268159  0.422255  1
  Ni  Ni33  1  0.469889  0.598567  0.431084  1
  Ni  Ni34  1  0.890609  0.105807  0.417827  1
  Ni  Ni35  1  0.055229  0.436425  0.426746  1
  Ni  Ni36  1  0.221162  0.766470  0.435711  1
  Ni  Ni37  1  0.635949  0.928247  0.441027  1
  Ni  Ni38  1  0.801218  0.258623  0.450176  1
  Ni  Ni39  1  0.966254  0.589047  0.459087  1
  Ni  Ni40  1  0.386515  0.096547  0.445749  1
  Ni  Ni41  1  0.551367  0.427029  0.454700  1
  Ni  Ni42  1  0.717207  0.757090  0.463793  1
  Ni  Ni43  1  0.131953  0.918975  0.468761  1
  Ni  Ni44  1  0.297398  0.249291  0.477944  1
  Ni  Ni45  1  0.462392  0.579690  0.486888  1
  Ni  Ni46  1  0.882724  0.087158  0.473511  1
  Ni  Ni47  1  0.047623  0.417592  0.482477  1
  Ni  Ni48  1  0.213309  0.747806  0.491582  1
  Ni  Ni49  1  0.627965  0.909655  0.496731  1
  Ni  Ni50  1  0.793650  0.239869  0.505835  1
  Ni  Ni51  1  0.958550  0.570302  0.514802  1
  Ni  Ni52  1  0.378882  0.077771  0.501424  1
  Ni  Ni53  1  0.543875  0.408170  0.510369  1
  Ni  Ni54  1  0.709321  0.738486  0.519551  1
  Ni  Ni55  1  0.124066  0.900371  0.524520  1
  Ni  Ni56  1  0.289907  0.230431  0.533612  1
  Ni  Ni57  1  0.454759  0.560914  0.542564  1
  Ni  Ni58  1  0.875020  0.068414  0.529225  1
  Ni  Ni59  1  0.040056  0.398838  0.538136  1
  Ni  Ni60  1  0.205324  0.729214  0.547285  1
  Ni  Ni61  1  0.620111  0.890991  0.552602  1
  Ni  Ni62  1  0.786045  0.221036  0.561566  1
  Ni  Ni63  1  0.950665  0.551654  0.570486  1
  Ni  Ni64  1  0.371385  0.058894  0.557229  1
  Ni  Ni65  1  0.536268  0.389302  0.566057  1
  Ni  Ni66  1  0.701321  0.719961  0.575313  1
  Ni  Ni67  1  0.116308  0.881790  0.580380  1
  Ni  Ni68  1  0.282068  0.211440  0.589266  1
  Ni  Ni69  1  0.446586  0.542133  0.598114  1
  Ni  Ni70  1  0.867481  0.049591  0.584982  1
  Ni  Ni71  1  0.032271  0.380049  0.593717  1
  Ni  Ni72  1  0.197479  0.710905  0.602867  1
  Ni  Ni73  1  0.611800  0.872140  0.608836  1
  Ni  Ni74  1  0.776635  0.201814  0.617441  1
  Ni  Ni75  1  0.940642  0.532694  0.626161  1
  Ni  Ni76  1  0.364749  0.039828  0.613250  1
  Ni  Ni77  1  0.529210  0.370439  0.621851  1
  Ni  Ni78  1  0.694902  0.701702  0.631119  1
  Ni  Ni79  1  0.107970  0.863561  0.636269  1
  Ni  Ni80  1  0.270858  0.192591  0.644532  1
  Ni  Ni81  1  0.435711  0.524044  0.653224  1
  Ni  Ni82  1  0.861766  0.030291  0.640385  1
  Ni  Ni83  1  0.026435  0.360766  0.648828  1
  Ni  Ni84  1  0.190898  0.691686  0.657508  1
  Ni  Ni85  1  0.607598  0.854001  0.664800  1
  Ni  Ni86  1  0.769099  0.184141  0.672569  1
  Ni  Ni87  1  0.930820  0.513769  0.680734  1
  Ni  Ni88  1  0.356149  0.020165  0.668453  1
  Ni  Ni89  1  0.518372  0.349880  0.676720  1
  Ni  Ni90  1  0.681348  0.682981  0.685908  1
  Ni  Ni91  1  0.114453  0.845014  0.689549  1
  Ni  Ni92  1  0.273412  0.176437  0.697167  1
  Ni  Ni93  1  0.436994  0.504291  0.705461  1
  Ni  Ni94  1  0.846048  0.012491  0.692983  1
  Ni  Ni95  1  1.005726  0.341889  0.701375  1
  Ni  Ni96  1  0.160797  0.664567  0.709282  1
  H  H97  1  0.039294  0.067069  0.276246  1
  H  H98  1  0.202519  0.400032  0.284652  1
  H  H99  1  0.359066  0.726353  0.292775  1
  H  H100  1  0.527221  0.060603  0.301753  1
  H  H101  1  0.698475  0.391414  0.310157  1
  H  H102  1  0.858973  0.721691  0.318368  1
  H  H103  1  0.028342  0.048410  0.331494  1
  H  H104  1  0.192822  0.381284  0.340659  1
  H  H105  1  0.355530  0.711936  0.348941  1
  H  H106  1  0.523093  0.040606  0.360338  1
  H  H107  1  0.688070  0.371392  0.369171  1
  H  H108  1  0.852387  0.701727  0.377776  1
  H  H109  1  0.019415  0.030815  0.387618  1
  H  H110  1  0.184027  0.361874  0.396654  1
  H  H111  1  0.348938  0.692252  0.405380  1
  H  H112  1  0.515213  0.021591  0.415638  1
  H  H113  1  0.680020  0.352335  0.424639  1
  H  H114  1  0.845369  0.682540  0.433524  1
  H  H115  1  0.011405  0.012250  0.443296  1
  H  H116  1  0.176247  0.342910  0.452365  1
  H  H117  1  0.341620  0.673228  0.461304  1
  H  H118  1  0.507369  1.002995  0.471242  1
  H  H119  1  0.672491  0.333435  0.480263  1
  H  H120  1  0.837761  0.663797  0.489288  1
  H  H121  1  1.003513  0.993664  0.499025  1
  H  H122  1  0.168783  0.324026  0.508049  1
  H  H123  1  0.333904  0.654466  0.517071  1
  H  H124  1  0.499654  0.984232  0.527008  1
  H  H125  1  0.665026  0.314551  0.535948  1
  H  H126  1  0.829868  0.645211  0.545017  1
  H  H127  1  0.995905  0.974920  0.554789  1
  H  H128  1  0.161254  0.305126  0.563674  1
  H  H129  1  0.326060  0.635870  0.572675  1
  H  H130  1  0.492336  0.965209  0.582933  1
  H  H131  1  0.657247  0.295587  0.591658  1
  H  H132  1  0.821859  0.626646  0.600694  1
  H  H133  1  0.988886  0.955734  0.610536  1
  H  H134  1  0.153204  0.286069  0.619142  1
  H  H135  1  0.318181  0.616855  0.627975  1
  H  H136  1  0.485744  0.945525  0.639371  1
  H  H137  1  0.648451  0.276177  0.647653  1
  H  H138  1  0.812932  0.609051  0.656818  1
  H  H139  1  0.982301  0.935769  0.669945  1
  H  H140  1  0.142799  0.266047  0.678156  1
  H  H141  1  0.314052  0.596857  0.686560  1
  H  H142  1  0.482208  0.931108  0.695538  1
  H  H143  1  0.638755  0.257429  0.703660  1
  H  H144  1  0.801980  0.590391  0.712066  1
