# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03573926
_cell_length_b   6.57256632
_cell_length_c   50.97613816
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.64535762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni72 H24'
_cell_volume   1993.65156288
_cell_formula_units_Z   24
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  0.717401  0.429628  0.306913  1
  Ni  Ni2  1  0.776212  0.699026  0.271383  1
  Ni  Ni3  1  0.116831  0.355774  0.300688  1
  Ni  Ni4  1  0.178534  0.623658  0.265659  1
  Ni  Ni5  1  0.835774  0.286785  0.266384  1
  Ni  Ni6  1  0.782198  1.018991  0.301036  1
  Ni  Ni7  1  0.454148  0.695028  0.300404  1
  Ni  Ni8  1  0.511720  0.969567  0.265577  1
  Ni  Ni9  1  0.051666  0.761325  0.306695  1
  Ni  Ni10  1  0.114818  0.035183  0.271375  1
  Ni  Ni11  1  0.442245  0.355050  0.271718  1
  Ni  Ni12  1  0.386342  0.089101  0.307268  1
  Ni  Ni13  1  0.592595  0.880455  0.380768  1
  Ni  Ni14  1  0.654267  0.153931  0.343781  1
  Ni  Ni15  1  0.997934  0.813752  0.374206  1
  Ni  Ni16  1  0.059162  0.084362  0.337132  1
  Ni  Ni17  1  0.721302  0.750670  0.337338  1
  Ni  Ni18  1  0.658440  0.478329  0.374439  1
  Ni  Ni19  1  0.331940  0.148693  0.374263  1
  Ni  Ni20  1  0.393765  0.420782  0.336892  1
  Ni  Ni21  1  0.926888  0.216033  0.381012  1
  Ni  Ni22  1  0.988704  0.489996  0.344027  1
  Ni  Ni23  1  0.326209  0.820754  0.343700  1
  Ni  Ni24  1  0.265957  0.550060  0.380618  1
  Ni  Ni25  1  0.470074  0.336015  0.454871  1
  Ni  Ni26  1  0.531342  0.608222  0.417839  1
  Ni  Ni27  1  0.875519  0.269334  0.448146  1
  Ni  Ni28  1  0.936751  0.541440  0.411111  1
  Ni  Ni29  1  0.597468  0.205740  0.411519  1
  Ni  Ni30  1  0.536006  0.933335  0.448592  1
  Ni  Ni31  1  0.209177  0.603984  0.448374  1
  Ni  Ni32  1  0.270699  0.876237  0.411343  1
  Ni  Ni33  1  0.803731  0.670775  0.455100  1
  Ni  Ni34  1  0.865024  0.943259  0.418076  1
  Ni  Ni35  1  0.204626  0.278761  0.417650  1
  Ni  Ni36  1  0.143268  1.006724  0.454663  1
  Ni  Ni37  1  0.347248  0.791580  0.528940  1
  Ni  Ni38  1  0.408769  0.063833  0.491909  1
  Ni  Ni39  1  0.752923  0.724558  0.522206  1
  Ni  Ni40  1  0.814216  0.997041  0.485183  1
  Ni  Ni41  1  0.474678  0.661093  0.485620  1
  Ni  Ni42  1  0.413321  0.389056  0.522633  1
  Ni  Ni43  1  0.086604  0.059595  0.522444  1
  Ni  Ni44  1  0.147873  0.331802  0.485412  1
  Ni  Ni45  1  0.681195  0.126377  0.529172  1
  Ni  Ni46  1  0.742428  0.398483  0.492136  1
  Ni  Ni47  1  0.081940  0.734481  0.491691  1
  Ni  Ni48  1  0.020479  0.462077  0.528764  1
  Ni  Ni49  1  0.224181  0.247035  0.603390  1
  Ni  Ni50  1  0.286007  0.519124  0.566020  1
  Ni  Ni51  1  0.629243  0.177821  0.596256  1
  Ni  Ni52  1  0.691059  0.451784  0.559271  1
  Ni  Ni53  1  0.351990  0.117757  0.559665  1
  Ni  Ni54  1  0.291738  0.847063  0.596583  1
  Ni  Ni55  1  0.963680  0.513886  0.596501  1
  Ni  Ni56  1  0.025352  0.787362  0.559515  1
  Ni  Ni57  1  0.558785  0.583455  0.603150  1
  Ni  Ni58  1  0.620013  0.854064  0.566076  1
  Ni  Ni59  1  0.959507  0.189488  0.565844  1
  Ni  Ni60  1  0.896645  0.917147  0.602944  1
  Ni  Ni61  1  0.106227  0.698250  0.674706  1
  Ni  Ni62  1  0.163799  0.972789  0.639879  1
  Ni  Ni63  1  0.503129  0.632634  0.668908  1
  Ni  Ni64  1  0.566280  0.906492  0.633588  1
  Ni  Ni65  1  0.231605  0.578716  0.633015  1
  Ni  Ni66  1  0.175702  0.312767  0.668565  1
  Ni  Ni67  1  0.841735  0.968790  0.668899  1
  Ni  Ni68  1  0.900546  0.238189  0.633370  1
  Ni  Ni69  1  0.439413  0.044159  0.674624  1
  Ni  Ni70  1  0.501116  0.312043  0.639595  1
  Ni  Ni71  1  0.835749  0.648826  0.639247  1
  Ni  Ni72  1  0.782173  0.381032  0.673899  1
  H  H73  1  0.939194  0.523068  0.279307  1
  H  H74  1  0.883578  0.256956  0.321909  1
  H  H75  1  0.355351  0.143205  0.252650  1
  H  H76  1  0.274242  0.851495  0.279940  1
  H  H77  1  0.823786  0.983238  0.358690  1
  H  H78  1  0.762570  0.710613  0.395616  1
  H  H79  1  0.220094  0.590593  0.321980  1
  H  H80  1  0.162454  0.318771  0.359386  1
  H  H81  1  0.701673  0.438334  0.432611  1
  H  H82  1  0.640413  0.166100  0.469643  1
  H  H83  1  0.100452  0.046590  0.396573  1
  H  H84  1  0.038865  0.773981  0.433593  1
  H  H85  1  0.579082  0.893836  0.506690  1
  H  H86  1  0.517495  0.621227  0.543710  1
  H  H87  1  0.977533  0.501717  0.470640  1
  H  H88  1  0.916274  0.229483  0.507672  1
  H  H89  1  0.455492  0.349046  0.580897  1
  H  H90  1  0.397852  0.077224  0.618302  1
  H  H91  1  0.855377  0.957204  0.544667  1
  H  H92  1  0.794161  0.684579  0.581593  1
  H  H93  1  0.343705  0.816322  0.660343  1
  H  H94  1  0.262596  0.524612  0.687633  1
  H  H95  1  0.734369  0.410861  0.618374  1
  H  H96  1  0.678753  0.144749  0.660976  1
