# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43317764
_cell_length_b   6.53126312
_cell_length_c   47.26278483
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.26352238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni60 H20'
_cell_volume   1557.89414251
_cell_formula_units_Z   20
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  0.841707  0.090718  0.289923  1
  Ni  Ni2  1  0.120131  0.451338  0.313681  1
  Ni  Ni3  1  0.300783  0.104274  0.287560  1
  Ni  Ni4  1  0.707068  0.780412  0.298226  1
  Ni  Ni5  1  0.443221  0.410717  0.276962  1
  Ni  Ni6  1  0.249849  0.763648  0.302479  1
  Ni  Ni7  1  0.071594  0.112391  0.332986  1
  Ni  Ni8  1  0.372268  0.474322  0.358940  1
  Ni  Ni9  1  0.545503  0.126553  0.329839  1
  Ni  Ni10  1  0.951974  0.802541  0.343869  1
  Ni  Ni11  1  0.668983  0.439828  0.317460  1
  Ni  Ni12  1  0.483106  0.794332  0.346785  1
  Ni  Ni13  1  0.308626  0.130803  0.377975  1
  Ni  Ni14  1  0.611612  0.483562  0.406090  1
  Ni  Ni15  1  0.783855  0.137997  0.375626  1
  Ni  Ni16  1  0.196618  0.815340  0.390199  1
  Ni  Ni17  1  0.889514  0.461154  0.362840  1
  Ni  Ni18  1  0.717432  0.806540  0.393060  1
  Ni  Ni19  1  0.544617  0.141880  0.424009  1
  Ni  Ni20  1  0.854994  0.494325  0.452224  1
  Ni  Ni21  1  0.025596  0.149828  0.421596  1
  Ni  Ni22  1  0.436074  0.825526  0.436815  1
  Ni  Ni23  1  0.129157  0.473901  0.408338  1
  Ni  Ni24  1  0.956932  0.818822  0.438981  1
  Ni  Ni25  1  0.784984  0.152829  0.469972  1
  Ni  Ni26  1  0.094717  0.503737  0.498593  1
  Ni  Ni27  1  0.265295  0.159321  0.467924  1
  Ni  Ni28  1  0.677916  0.835855  0.482963  1
  Ni  Ni29  1  0.366633  0.483984  0.454588  1
  Ni  Ni30  1  0.196040  0.828339  0.485220  1
  Ni  Ni31  1  0.024490  0.162354  0.516246  1
  Ni  Ni32  1  0.335773  0.514225  0.544621  1
  Ni  Ni33  1  0.506366  0.169870  0.513989  1
  Ni  Ni34  1  0.917422  0.845380  0.529237  1
  Ni  Ni35  1  0.607689  0.494473  0.500617  1
  Ni  Ni36  1  0.437111  0.838888  0.531285  1
  Ni  Ni37  1  0.266332  0.172684  0.562394  1
  Ni  Ni38  1  0.573249  0.524308  0.590871  1
  Ni  Ni39  1  0.745474  0.179388  0.560229  1
  Ni  Ni40  1  0.157790  0.856329  0.575201  1
  Ni  Ni41  1  0.847412  0.503885  0.546986  1
  Ni  Ni42  1  0.676810  0.848382  0.577614  1
  Ni  Ni43  1  0.505788  0.182870  0.609011  1
  Ni  Ni44  1  0.812892  0.537056  0.636370  1
  Ni  Ni45  1  0.984974  0.191670  0.606149  1
  Ni  Ni46  1  0.393780  0.867407  0.621234  1
  Ni  Ni47  1  0.090794  0.514648  0.593120  1
  Ni  Ni48  1  0.918551  0.860213  0.623584  1
  Ni  Ni49  1  0.750432  0.195669  0.655340  1
  Ni  Ni50  1  0.033423  0.558382  0.681750  1
  Ni  Ni51  1  0.219300  0.203878  0.652425  1
  Ni  Ni52  1  0.630813  0.885818  0.666224  1
  Ni  Ni53  1  0.330138  0.523887  0.640270  1
  Ni  Ni54  1  0.156903  0.871657  0.669371  1
  Ni  Ni55  1  0.995338  0.217797  0.700984  1
  Ni  Ni56  1  0.259185  0.587492  0.722248  1
  Ni  Ni57  1  0.452557  0.234561  0.696731  1
  Ni  Ni58  1  0.860699  0.907492  0.709287  1
  Ni  Ni59  1  0.582276  0.546872  0.685529  1
  Ni  Ni60  1  0.401623  0.893936  0.711650  1
  H  H61  1  0.986410  0.270284  0.294630  1
  H  H62  1  0.542281  0.610961  0.283227  1
  H  H63  1  0.217046  0.295338  0.345649  1
  H  H64  1  0.805087  0.629314  0.328381  1
  H  H65  1  0.459741  0.308152  0.391535  1
  H  H66  1  0.041080  0.642461  0.376169  1
  H  H67  1  0.700209  0.316650  0.437925  1
  H  H68  1  0.280308  0.653274  0.422559  1
  H  H69  1  0.940676  0.326351  0.484144  1
  H  H70  1  0.521409  0.662359  0.468809  1
  H  H71  1  0.180997  0.335851  0.530400  1
  H  H72  1  0.761730  0.671858  0.515065  1
  H  H73  1  0.422098  0.344935  0.576650  1
  H  H74  1  0.002198  0.681559  0.561284  1
  H  H75  1  0.661327  0.355748  0.623041  1
  H  H76  1  0.242665  0.690057  0.607675  1
  H  H77  1  0.897319  0.368895  0.670829  1
  H  H78  1  0.485360  0.702872  0.653560  1
  H  H79  1  0.160125  0.387249  0.715983  1
  H  H80  1  0.715996  0.727926  0.704579  1
