# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83319752
_cell_length_b   7.75220663
_cell_length_c   50.91838250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.22099431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni96 H32'
_cell_volume   2553.6839954
_cell_formula_units_Z   32
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  0.801005  0.313122  0.297555  1
  Ni  Ni2  1  0.992002  0.451584  0.271340  1
  Ni  Ni3  1  0.070317  1.009771  0.286799  1
  Ni  Ni4  1  0.853114  0.850894  0.310904  1
  Ni  Ni5  1  0.497748  0.434736  0.271444  1
  Ni  Ni6  1  0.289323  0.293081  0.295792  1
  Ni  Ni7  1  0.459882  0.515294  0.317390  1
  Ni  Ni8  1  0.656689  0.658965  0.289126  1
  Ni  Ni9  1  0.660726  0.090282  0.279729  1
  Ni  Ni10  1  0.434778  0.956844  0.304274  1
  Ni  Ni11  1  0.176759  0.660495  0.289099  1
  Ni  Ni12  1  0.971209  0.516867  0.318145  1
  Ni  Ni13  1  0.393699  0.028566  0.352252  1
  Ni  Ni14  1  0.592523  0.174952  0.324820  1
  Ni  Ni15  1  0.639572  0.716730  0.338564  1
  Ni  Ni16  1  0.437634  0.576595  0.366743  1
  Ni  Ni17  1  0.089607  0.167863  0.325236  1
  Ni  Ni18  1  0.885415  0.021169  0.351162  1
  Ni  Ni19  1  0.062342  0.224996  0.373597  1
  Ni  Ni20  1  0.264942  0.371743  0.345006  1
  Ni  Ni21  1  0.223406  0.821491  0.330798  1
  Ni  Ni22  1  0.020745  0.678647  0.358658  1
  Ni  Ni23  1  0.768292  0.375873  0.346170  1
  Ni  Ni24  1  0.567715  0.231731  0.374198  1
  Ni  Ni25  1  0.987333  0.742099  0.408064  1
  Ni  Ni26  1  0.189566  0.886009  0.379950  1
  Ni  Ni27  1  0.231991  0.432964  0.394140  1
  Ni  Ni28  1  0.030101  0.288263  0.422442  1
  Ni  Ni29  1  0.684152  0.877698  0.379483  1
  Ni  Ni30  1  0.479752  0.734488  0.407699  1
  Ni  Ni31  1  0.657151  0.935448  0.429440  1
  Ni  Ni32  1  0.859884  0.080012  0.401301  1
  Ni  Ni33  1  0.817321  0.534484  0.387170  1
  Ni  Ni34  1  0.613505  0.389765  0.415277  1
  Ni  Ni35  1  0.366302  0.087760  0.402144  1
  Ni  Ni36  1  0.163176  0.943838  0.430092  1
  Ni  Ni37  1  0.580331  0.453321  0.464280  1
  Ni  Ni38  1  0.783898  0.597827  0.436233  1
  Ni  Ni39  1  0.826474  0.143864  0.450332  1
  Ni  Ni40  1  0.623536  0.999132  0.478407  1
  Ni  Ni41  1  0.276252  0.588752  0.435601  1
  Ni  Ni42  1  0.073090  0.444490  0.463716  1
  Ni  Ni43  1  0.250063  0.646158  0.485560  1
  Ni  Ni44  1  0.453280  0.790873  0.457516  1
  Ni  Ni45  1  0.410256  0.244799  0.443387  1
  Ni  Ni46  1  0.206772  0.100166  0.471430  1
  Ni  Ni47  1  0.960599  0.799395  0.458134  1
  Ni  Ni48  1  0.757365  0.654953  0.486196  1
  Ni  Ni49  1  0.173837  0.163803  0.520396  1
  Ni  Ni50  1  0.377053  0.308518  0.492352  1
  Ni  Ni51  1  0.420344  0.854510  0.506482  1
  Ni  Ni52  1  0.216860  0.709877  0.534525  1
  Ni  Ni53  1  0.869751  0.299723  0.491716  1
  Ni  Ni54  1  0.666518  0.155281  0.519778  1
  Ni  Ni55  1  0.843218  0.356849  0.541679  1
  Ni  Ni56  1  0.046786  0.501355  0.513632  1
  Ni  Ni57  1  1.003580  0.955544  0.499505  1
  Ni  Ni58  1  0.800642  0.810812  0.527580  1
  Ni  Ni59  1  0.554026  0.510186  0.514196  1
  Ni  Ni60  1  0.350865  0.365924  0.542311  1
  Ni  Ni61  1  0.767233  0.874664  0.576611  1
  Ni  Ni62  1  0.969965  0.019228  0.548473  1
  Ni  Ni63  1  0.013612  0.564911  0.562635  1
  Ni  Ni64  1  0.809795  0.420192  0.590743  1
  Ni  Ni65  1  0.463940  0.010838  0.547820  1
  Ni  Ni66  1  0.260815  0.866916  0.575768  1
  Ni  Ni67  1  0.437550  0.068667  0.597962  1
  Ni  Ni68  1  0.639783  0.212577  0.569848  1
  Ni  Ni69  1  0.597015  0.666413  0.555470  1
  Ni  Ni70  1  0.395126  0.521712  0.583772  1
  Ni  Ni71  1  0.147365  0.220188  0.570214  1
  Ni  Ni72  1  0.942965  0.076977  0.598429  1
  Ni  Ni73  1  0.362175  0.582933  0.632906  1
  Ni  Ni74  1  0.564774  0.729680  0.604315  1
  Ni  Ni75  1  0.606371  0.276029  0.619255  1
  Ni  Ni76  1  0.403710  0.133185  0.647114  1
  Ni  Ni77  1  0.059401  0.722945  0.603715  1
  Ni  Ni78  1  0.858824  0.578803  0.631742  1
  Ni  Ni79  1  0.034593  0.779724  0.653092  1
  Ni  Ni80  1  0.233417  0.926110  0.625661  1
  Ni  Ni81  1  0.189482  0.378081  0.611169  1
  Ni  Ni82  1  0.987544  0.237946  0.639348  1
  Ni  Ni83  1  0.741701  0.933507  0.626750  1
  Ni  Ni84  1  0.537509  0.786813  0.652677  1
  Ni  Ni85  1  0.970427  0.295711  0.688786  1
  Ni  Ni86  1  0.167234  0.439382  0.660523  1
  Ni  Ni87  1  0.192338  0.997832  0.673638  1
  Ni  Ni88  1  0.966390  0.864394  0.698184  1
  Ni  Ni89  1  0.655907  0.437809  0.659768  1
  Ni  Ni90  1  0.450357  0.294181  0.688813  1
  Ni  Ni91  1  0.635115  0.503092  0.706572  1
  Ni  Ni92  1  0.826111  0.641554  0.680357  1
  Ni  Ni93  1  0.774002  0.103782  0.667008  1
  Ni  Ni94  1  0.556799  0.944905  0.691113  1
  Ni  Ni95  1  0.337793  0.661595  0.682120  1
  Ni  Ni96  1  0.129369  0.519940  0.706468  1
  H  H97  1  0.860117  0.077220  0.307273  1
  H  H98  1  0.067609  0.233147  0.282065  1
  H  H99  1  0.421870  0.640514  0.279931  1
  H  H100  1  0.654845  0.880328  0.282795  1
  H  H101  1  0.458989  0.799985  0.367645  1
  H  H102  1  0.655828  0.941342  0.337597  1
  H  H103  1  1.002613  0.455166  0.358744  1
  H  H104  1  0.153432  0.626869  0.323836  1
  H  H105  1  0.047746  0.512369  0.422768  1
  H  H106  1  0.254074  0.656510  0.395392  1
  H  H107  1  0.595405  0.165322  0.414930  1
  H  H108  1  0.796559  0.310280  0.386696  1
  H  H109  1  0.641254  0.223264  0.478874  1
  H  H110  1  0.844873  0.367946  0.450934  1
  H  H111  1  0.188680  0.876122  0.470934  1
  H  H112  1  0.392243  0.020591  0.442925  1
  H  H113  1  0.234873  0.934085  0.534987  1
  H  H114  1  0.438436  0.078554  0.506979  1
  H  H115  1  0.782243  0.586730  0.526979  1
  H  H116  1  0.985863  0.731412  0.499038  1
  H  H117  1  0.830558  0.644396  0.591217  1
  H  H118  1  0.031711  0.789354  0.562982  1
  H  H119  1  0.373043  0.298166  0.582521  1
  H  H120  1  0.579370  0.442307  0.555144  1
  H  H121  1  0.473685  0.327807  0.654076  1
  H  H122  1  0.624503  0.499510  0.619168  1
  H  H123  1  0.971288  0.013334  0.640315  1
  H  H124  1  0.168127  0.154691  0.610267  1
  H  H125  1  0.972271  0.074348  0.695117  1
  H  H126  1  0.205247  0.314162  0.697981  1
  H  H127  1  0.559508  0.721529  0.695847  1
  H  H128  1  0.766999  0.877456  0.670639  1
