# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16375865
_cell_length_b   4.94782622
_cell_length_c   46.49055663
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.20461857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni72 H36'
_cell_volume   1970.59218055
_cell_formula_units_Z   36
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  0.872110  0.956632  0.301936  1
  Ni  Ni2  1  0.330509  0.048004  0.281337  1
  Ni  Ni3  1  0.599792  1.001775  0.291234  1
  Ni  Ni4  1  0.804339  0.492694  0.294224  1
  Ni  Ni5  1  0.082017  0.441775  0.304061  1
  Ni  Ni6  1  0.531064  0.538295  0.283413  1
  Ni  Ni7  1  0.713241  0.788817  0.338519  1
  Ni  Ni8  1  0.150192  0.895914  0.312376  1
  Ni  Ni9  1  0.434419  0.841664  0.327331  1
  Ni  Ni10  1  0.646276  0.339490  0.329025  1
  Ni  Ni11  1  0.926733  0.286591  0.339900  1
  Ni  Ni12  1  0.362231  0.399950  0.315481  1
  Ni  Ni13  1  0.551280  0.637314  0.375542  1
  Ni  Ni14  1  0.991728  0.737048  0.349866  1
  Ni  Ni15  1  0.269366  0.689472  0.362293  1
  Ni  Ni16  1  0.481770  0.192337  0.364773  1
  Ni  Ni17  1  0.763934  0.136670  0.377164  1
  Ni  Ni18  1  0.203448  0.238432  0.351660  1
  Ni  Ni19  1  0.388895  0.485495  0.412134  1
  Ni  Ni20  1  0.831265  0.584953  0.387203  1
  Ni  Ni21  1  0.110069  0.534517  0.399425  1
  Ni  Ni22  1  0.321137  0.036849  0.401970  1
  Ni  Ni23  1  0.601315  0.985859  0.414287  1
  Ni  Ni24  1  0.042928  0.085899  0.389075  1
  Ni  Ni25  1  0.227743  0.332069  0.449277  1
  Ni  Ni26  1  0.669460  0.433375  0.424587  1
  Ni  Ni27  1  0.948761  0.382193  0.436737  1
  Ni  Ni28  1  0.160051  0.882964  0.438968  1
  Ni  Ni29  1  0.439740  0.832591  0.451508  1
  Ni  Ni30  1  0.881365  0.933325  0.426516  1
  Ni  Ni31  1  0.066301  0.179047  0.486372  1
  Ni  Ni32  1  0.507455  0.281287  0.461646  1
  Ni  Ni33  1  0.787137  0.229872  0.474036  1
  Ni  Ni34  1  0.998708  0.730261  0.476147  1
  Ni  Ni35  1  0.278206  0.679580  0.488558  1
  Ni  Ni36  1  0.719463  0.781460  0.463730  1
  Ni  Ni37  1  0.904725  0.026430  0.523611  1
  Ni  Ni38  1  0.345983  0.128310  0.498783  1
  Ni  Ni39  1  0.625480  0.077629  0.511194  1
  Ni  Ni40  1  0.837052  0.578018  0.513306  1
  Ni  Ni41  1  0.116733  0.526603  0.525695  1
  Ni  Ni42  1  0.557888  0.628843  0.500969  1
  Ni  Ni43  1  0.742823  0.874565  0.560826  1
  Ni  Ni44  1  0.184449  0.975299  0.535833  1
  Ni  Ni45  1  0.464138  0.924926  0.548373  1
  Ni  Ni46  1  0.675427  0.425697  0.550604  1
  Ni  Ni47  1  0.954729  0.374515  0.562754  1
  Ni  Ni48  1  0.396446  0.475821  0.538064  1
  Ni  Ni49  1  0.581260  0.721991  0.598266  1
  Ni  Ni50  1  0.022874  0.822031  0.573054  1
  Ni  Ni51  1  0.303052  0.771041  0.585371  1
  Ni  Ni52  1  0.514120  0.273373  0.587916  1
  Ni  Ni53  1  0.792924  0.222937  0.600138  1
  Ni  Ni54  1  0.235293  0.322395  0.575207  1
  Ni  Ni55  1  0.420740  0.569458  0.635681  1
  Ni  Ni56  1  0.860254  0.671220  0.610177  1
  Ni  Ni57  1  0.142418  0.615553  0.622568  1
  Ni  Ni58  1  0.354822  0.118418  0.625048  1
  Ni  Ni59  1  0.632461  0.070842  0.637475  1
  Ni  Ni60  1  0.072909  0.170576  0.611799  1
  Ni  Ni61  1  0.261958  0.407940  0.671861  1
  Ni  Ni62  1  0.697456  0.521299  0.647441  1
  Ni  Ni63  1  0.977913  0.468400  0.658316  1
  Ni  Ni64  1  0.189770  0.966226  0.660010  1
  Ni  Ni65  1  0.473997  0.911976  0.674966  1
  Ni  Ni66  1  0.910948  0.019073  0.648822  1
  Ni  Ni67  1  0.093125  0.269595  0.703929  1
  Ni  Ni68  1  0.542172  0.366115  0.683280  1
  Ni  Ni69  1  0.819850  0.315196  0.693117  1
  Ni  Ni70  1  0.024396  0.806115  0.696107  1
  Ni  Ni71  1  0.293680  0.759886  0.706004  1
  Ni  Ni72  1  0.752079  0.851258  0.685405  1
  H  H73  1  0.703831  0.254757  0.287189  1
  H  H74  1  0.977258  0.203228  0.298103  1
  H  H75  1  0.434324  0.275417  0.276842  1
  H  H76  1  0.536646  0.097766  0.326414  1
  H  H77  1  0.820887  0.037157  0.338034  1
  H  H78  1  0.250132  0.153364  0.311696  1
  H  H79  1  0.375400  0.942646  0.364423  1
  H  H80  1  0.656008  0.891034  0.376317  1
  H  H81  1  0.099445  0.984350  0.350019  1
  H  H82  1  0.215411  0.785638  0.400694  1
  H  H83  1  0.494952  0.736105  0.413531  1
  H  H84  1  0.937115  0.835857  0.388191  1
  H  H85  1  0.054603  0.632105  0.437805  1
  H  H86  1  0.333645  0.582358  0.450358  1
  H  H87  1  0.775166  0.683813  0.425485  1
  H  H88  1  0.892913  0.480081  0.475020  1
  H  H89  1  0.172261  0.429353  0.487475  1
  H  H90  1  0.613529  0.531277  0.462783  1
  H  H91  1  0.731276  0.327809  0.512322  1
  H  H92  1  0.010660  0.276613  0.524558  1
  H  H93  1  0.451927  0.378537  0.499867  1
  H  H94  1  0.569586  0.175785  0.549536  1
  H  H95  1  0.849022  0.124077  0.561856  1
  H  H96  1  0.290543  0.225532  0.536983  1
  H  H97  1  0.408777  0.022252  0.586647  1
  H  H98  1  0.687073  0.972033  0.599150  1
  H  H99  1  0.129237  0.071785  0.573810  1
  H  H100  1  0.248789  0.865244  0.622918  1
  H  H101  1  0.524743  0.823540  0.637322  1
  H  H102  1  0.968181  0.916856  0.611024  1
  H  H103  1  0.087543  0.710124  0.660927  1
  H  H104  1  0.374057  0.654526  0.675645  1
  H  H105  1  0.803302  0.770733  0.649308  1
  H  H106  1  0.920358  0.553133  0.700153  1
  H  H107  1  0.189865  0.532473  0.710499  1
  H  H108  1  0.646931  0.604662  0.689239  1
