# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53639586
_cell_length_b   13.07976048
_cell_length_c   48.67823656
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.59210889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni60 H30'
_cell_volume   1607.23673083
_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  0.457960  0.902227  0.289822  1
  Ni  Ni2  1  0.622733  0.231992  0.302266  1
  Ni  Ni3  1  0.293588  0.573605  0.276650  1
  Ni  Ni4  1  0.036472  0.059096  0.308031  1
  Ni  Ni5  1  0.711623  0.409982  0.283040  1
  Ni  Ni6  1  0.873722  0.733784  0.294448  1
  Ni  Ni7  1  0.944336  0.875214  0.332785  1
  Ni  Ni8  1  0.105508  0.197708  0.346543  1
  Ni  Ni9  1  0.781888  0.550404  0.319067  1
  Ni  Ni10  1  0.522028  0.030581  0.353313  1
  Ni  Ni11  1  0.197743  0.382162  0.325266  1
  Ni  Ni12  1  0.360455  0.707449  0.339027  1
  Ni  Ni13  1  0.429383  0.845618  0.377612  1
  Ni  Ni14  1  0.590824  0.168617  0.392196  1
  Ni  Ni15  1  0.267217  0.521276  0.363300  1
  Ni  Ni16  1  1.006967  1.000829  0.399641  1
  Ni  Ni17  1  0.682776  0.352403  0.369998  1
  Ni  Ni18  1  0.845304  0.677430  0.385105  1
  Ni  Ni19  1  0.914427  0.816037  0.423098  1
  Ni  Ni20  1  0.076060  0.139402  0.438011  1
  Ni  Ni21  1  0.752295  0.491681  0.408379  1
  Ni  Ni22  1  0.491967  0.971161  0.445543  1
  Ni  Ni23  1  0.168101  0.323308  0.415527  1
  Ni  Ni24  1  0.330124  0.647368  0.430814  1
  Ni  Ni25  1  0.399460  0.786413  0.468581  1
  Ni  Ni26  1  0.561193  0.109957  0.483710  1
  Ni  Ni27  1  0.237505  0.462390  0.453749  1
  Ni  Ni28  1  0.977038  0.941618  0.491200  1
  Ni  Ni29  1  0.653329  0.294032  0.461115  1
  Ni  Ni30  1  0.815161  0.617744  0.476371  1
  Ni  Ni31  1  0.884521  0.756842  0.514091  1
  Ni  Ni32  1  0.046353  0.080555  0.529348  1
  Ni  Ni33  1  0.722644  0.432969  0.499262  1
  Ni  Ni34  1  0.462177  0.912197  0.536713  1
  Ni  Ni35  1  0.138489  0.264629  0.506752  1
  Ni  Ni36  1  0.300222  0.588174  0.521881  1
  Ni  Ni37  1  0.369558  0.727219  0.559648  1
  Ni  Ni38  1  0.531581  0.051279  0.574935  1
  Ni  Ni39  1  0.207715  0.403425  0.544919  1
  Ni  Ni40  1  0.947387  0.882905  0.582083  1
  Ni  Ni41  1  0.623621  0.235185  0.552452  1
  Ni  Ni42  1  0.785255  0.558549  0.567365  1
  Ni  Ni43  1  0.854378  0.697157  0.605357  1
  Ni  Ni44  1  0.016906  0.022184  0.620465  1
  Ni  Ni45  1  0.692715  0.373758  0.590821  1
  Ni  Ni46  1  0.432465  0.853311  0.627163  1
  Ni  Ni47  1  0.108858  0.205969  0.598266  1
  Ni  Ni48  1  0.270299  0.528969  0.612851  1
  Ni  Ni49  1  0.339227  0.667138  0.651435  1
  Ni  Ni50  1  0.501939  0.992425  0.665197  1
  Ni  Ni51  1  0.177654  0.344006  0.637150  1
  Ni  Ni52  1  0.917794  0.824183  0.671395  1
  Ni  Ni53  1  0.594174  0.176879  0.643920  1
  Ni  Ni54  1  0.755346  0.499373  0.657678  1
  Ni  Ni55  1  0.825960  0.640803  0.696015  1
  Ni  Ni56  1  0.988059  0.964605  0.707422  1
  Ni  Ni57  1  0.663209  0.315491  0.682432  1
  Ni  Ni58  1  0.406094  0.800982  0.713812  1
  Ni  Ni59  1  0.076949  0.142595  0.688197  1
  Ni  Ni60  1  0.241722  0.472360  0.700641  1
  H  H61  1  0.991658  0.969403  0.274477  1
  H  H62  1  0.165353  0.317419  0.287612  1
  H  H63  1  0.330629  0.647788  0.303664  1
  H  H64  1  0.493152  0.972641  0.318824  1
  H  H65  1  0.650666  0.288048  0.334806  1
  H  H66  1  0.815021  0.616737  0.351610  1
  H  H67  1  0.976593  0.939877  0.365900  1
  H  H68  1  0.136685  0.260290  0.381006  1
  H  H69  1  0.299144  0.585243  0.397003  1
  H  H70  1  0.460960  0.908955  0.411526  1
  H  H71  1  0.621927  0.231049  0.426670  1
  H  H72  1  0.783894  0.555036  0.442368  1
  H  H73  1  0.945837  0.879033  0.457109  1
  H  H74  1  0.107220  0.201914  0.472380  1
  H  H75  1  0.268878  0.525308  0.487831  1
  H  H76  1  0.430804  0.849279  0.502631  1
  H  H77  1  0.592462  0.172673  0.518083  1
  H  H78  1  0.753845  0.495554  0.533354  1
  H  H79  1  0.915788  0.819550  0.548094  1
  H  H80  1  0.077755  0.143538  0.563793  1
  H  H81  1  0.238722  0.465631  0.578936  1
  H  H82  1  0.400538  0.789343  0.593460  1
  H  H83  1  0.562997  0.114297  0.609457  1
  H  H84  1  0.723089  0.434709  0.624563  1
  H  H85  1  0.884661  0.757850  0.638853  1
  H  H86  1  0.049015  0.086538  0.655656  1
  H  H87  1  0.206530  0.401946  0.671639  1
  H  H88  1  0.369052  0.726799  0.686798  1
  H  H89  1  0.534329  0.057167  0.702851  1
  H  H90  1  0.708024  0.405184  0.715986  1
