# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82869399
_cell_length_b   9.52605468
_cell_length_c   51.56447137
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.72495054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni90 H30'
_cell_volume   2344.43571804
_cell_formula_units_Z   30
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  0.373060  0.859861  0.292505  1
  Ni  Ni2  1  0.366198  0.668557  0.323245  1
  Ni  Ni3  1  0.328538  0.457943  0.354169  1
  Ni  Ni4  1  0.466877  0.111209  0.347144  1
  Ni  Ni5  1  0.564329  0.544559  0.288081  1
  Ni  Ni6  1  0.547001  0.321962  0.319377  1
  Ni  Ni7  1  0.855189  0.834193  0.293576  1
  Ni  Ni8  1  0.853839  0.645529  0.324537  1
  Ni  Ni9  1  0.819856  0.447536  0.354530  1
  Ni  Ni10  1  0.149362  0.881081  0.335100  1
  Ni  Ni11  1  0.296008  0.303539  0.279150  1
  Ni  Ni12  1  0.196600  0.081466  0.304038  1
  Ni  Ni13  1  0.092979  0.622474  0.282585  1
  Ni  Ni14  1  0.092456  0.434657  0.312903  1
  Ni  Ni15  1  1.001278  0.220713  0.338494  1
  Ni  Ni16  1  0.661207  0.891966  0.335003  1
  Ni  Ni17  1  0.815192  0.338077  0.278657  1
  Ni  Ni18  1  0.706596  0.094965  0.302302  1
  Ni  Ni19  1  0.259139  0.250318  0.382930  1
  Ni  Ni20  1  0.205576  0.047361  0.413945  1
  Ni  Ni21  1  0.157170  0.842168  0.444876  1
  Ni  Ni22  1  0.314917  0.494046  0.440145  1
  Ni  Ni23  1  0.411521  0.907324  0.378330  1
  Ni  Ni24  1  0.368394  0.700881  0.409524  1
  Ni  Ni25  1  0.750816  0.240637  0.383464  1
  Ni  Ni26  1  0.695386  0.036787  0.413865  1
  Ni  Ni27  1  0.647163  0.833349  0.444579  1
  Ni  Ni28  1  0.011949  0.264963  0.426866  1
  Ni  Ni29  1  0.122420  0.677035  0.366361  1
  Ni  Ni30  1  0.071423  0.470277  0.396958  1
  Ni  Ni31  1  0.952832  0.022417  0.370088  1
  Ni  Ni32  1  0.910812  0.818842  0.401531  1
  Ni  Ni33  1  0.860016  0.613480  0.432061  1
  Ni  Ni34  1  0.520575  0.272303  0.427143  1
  Ni  Ni35  1  0.630958  0.687343  0.366654  1
  Ni  Ni36  1  0.580142  0.479139  0.397395  1
  Ni  Ni37  1  0.103528  0.635829  0.475388  1
  Ni  Ni38  1  0.048712  0.429980  0.505773  1
  Ni  Ni39  1  0.997251  0.224846  0.536369  1
  Ni  Ni40  1  0.154472  0.878203  0.531466  1
  Ni  Ni41  1  0.259007  0.288312  0.470394  1
  Ni  Ni42  1  0.207019  0.083383  0.500918  1
  Ni  Ni43  1  0.594272  0.628347  0.474967  1
  Ni  Ni44  1  0.539523  0.422460  0.505335  1
  Ni  Ni45  1  0.487884  0.217219  0.535966  1
  Ni  Ni46  1  0.853216  0.649315  0.518323  1
  Ni  Ni47  1  0.959494  0.060297  0.457342  1
  Ni  Ni48  1  0.908032  0.855163  0.487938  1
  Ni  Ni49  1  0.802272  0.406941  0.462245  1
  Ni  Ni50  1  0.749725  0.201761  0.492793  1
  Ni  Ni51  1  0.697738  0.996831  0.523317  1
  Ni  Ni52  1  0.362472  0.656796  0.518744  1
  Ni  Ni53  1  0.468860  0.067924  0.457745  1
  Ni  Ni54  1  0.417221  0.862684  0.488376  1
  Ni  Ni55  1  0.944795  0.020181  0.566844  1
  Ni  Ni56  1  0.885321  0.814866  0.596752  1
  Ni  Ni57  1  0.834325  0.608109  0.627350  1
  Ni  Ni58  1  1.003913  0.262726  0.623622  1
  Ni  Ni59  1  0.096728  0.671664  0.561650  1
  Ni  Ni60  1  0.045932  0.466302  0.592179  1
  Ni  Ni61  1  0.436170  0.012840  0.566568  1
  Ni  Ni62  1  0.376602  0.806004  0.596316  1
  Ni  Ni63  1  0.325786  0.597800  0.627057  1
  Ni  Ni64  1  0.697605  0.034826  0.610780  1
  Ni  Ni65  1  0.799574  0.442976  0.548835  1
  Ni  Ni66  1  0.751168  0.237782  0.579766  1
  Ni  Ni67  1  0.641827  0.791097  0.553565  1
  Ni  Ni68  1  0.588350  0.584263  0.584187  1
  Ni  Ni69  1  0.545223  0.377820  0.615381  1
  Ni  Ni70  1  0.205928  0.044506  0.610246  1
  Ni  Ni71  1  0.309582  0.451794  0.549132  1
  Ni  Ni72  1  0.261358  0.248357  0.579846  1
  Ni  Ni73  1  0.807382  0.404062  0.658611  1
  Ni  Ni74  1  0.760145  0.203677  0.689673  1
  Ni  Ni75  1  0.660736  0.981605  0.714561  1
  Ni  Ni76  1  0.863765  0.662669  0.711125  1
  Ni  Ni77  1  0.955466  0.064431  0.655216  1
  Ni  Ni78  1  0.864288  0.850487  0.680808  1
  Ni  Ni79  1  0.295537  0.393178  0.658707  1
  Ni  Ni80  1  0.250149  0.190178  0.691408  1
  Ni  Ni81  1  0.141552  0.947066  0.715054  1
  Ni  Ni82  1  0.583685  0.425282  0.701205  1
  Ni  Ni83  1  0.628206  0.827200  0.639542  1
  Ni  Ni84  1  0.590546  0.616586  0.670465  1
  Ni  Ni85  1  0.489868  0.173935  0.646566  1
  Ni  Ni86  1  0.409743  0.963181  0.674334  1
  Ni  Ni87  1  0.392415  0.740585  0.705630  1
  Ni  Ni88  1  0.101555  0.450950  0.700135  1
  Ni  Ni89  1  0.136888  0.837608  0.639181  1
  Ni  Ni90  1  0.102905  0.639614  0.669174  1
  H  H91  1  0.469488  0.709191  0.284334  1
  H  H92  1  0.522153  0.504436  0.322869  1
  H  H93  1  0.522897  0.300603  0.355887  1
  H  H94  1  0.940909  0.036058  0.330129  1
  H  H95  1  0.176624  0.458837  0.276100  1
  H  H96  1  1.004907  0.230303  0.295874  1
  H  H97  1  0.421704  0.090175  0.384141  1
  H  H98  1  0.366254  0.885021  0.414900  1
  H  H99  1  0.317998  0.679623  0.445745  1
  H  H100  1  0.849643  0.427020  0.426136  1
  H  H101  1  0.952353  0.839840  0.364996  1
  H  H102  1  0.908116  0.633539  0.395848  1
  H  H103  1  0.266572  0.473986  0.476329  1
  H  H104  1  0.212520  0.268449  0.506754  1
  H  H105  1  0.161621  0.063560  0.537322  1
  H  H106  1  0.690172  0.811157  0.517382  1
  H  H107  1  0.795124  0.221584  0.456389  1
  H  H108  1  0.744225  0.016694  0.486956  1
  H  H109  1  0.107101  0.858124  0.567575  1
  H  H110  1  0.048628  0.651605  0.597863  1
  H  H111  1  1.004391  0.445303  0.628715  1
  H  H112  1  0.535040  0.194968  0.609570  1
  H  H113  1  0.638747  0.605520  0.547966  1
  H  H114  1  0.590491  0.400123  0.578811  1
  H  H115  1  0.015835  0.249085  0.663581  1
  H  H116  1  0.951838  0.054841  0.697837  1
  H  H117  1  0.780120  0.826306  0.717610  1
  H  H118  1  0.487257  0.575952  0.709377  1
  H  H119  1  0.433848  0.984541  0.637823  1
  H  H120  1  0.434592  0.780707  0.670842  1
