# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40409449
_cell_length_b   4.94206785
_cell_length_c   49.31296256
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni40 H20'
_cell_volume   1073.31309178
_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  0.312807  1.002206  0.294945  1
  Ni  Ni2  1  0.816409  0.126133  0.276853  1
  Ni  Ni3  1  0.155177  0.500133  0.294637  1
  Ni  Ni4  1  0.663639  0.628089  0.276109  1
  Ni  Ni5  1  0.324108  0.743225  0.339776  1
  Ni  Ni6  1  0.822195  0.866541  0.318345  1
  Ni  Ni7  1  0.152397  0.233678  0.339590  1
  Ni  Ni8  1  0.649196  0.359830  0.318385  1
  Ni  Ni9  1  0.327309  0.482810  0.385724  1
  Ni  Ni10  1  0.826348  0.611076  0.363125  1
  Ni  Ni11  1  0.159323  0.974684  0.385355  1
  Ni  Ni12  1  0.655913  0.102606  0.362934  1
  Ni  Ni13  1  0.332665  0.222886  0.431402  1
  Ni  Ni14  1  0.830209  0.352064  0.408642  1
  Ni  Ni15  1  0.164616  0.715271  0.431051  1
  Ni  Ni16  1  0.661993  0.844355  0.408342  1
  Ni  Ni17  1  0.338214  0.963575  0.476996  1
  Ni  Ni18  1  0.835524  0.093039  0.454210  1
  Ni  Ni19  1  0.170031  0.455937  0.476646  1
  Ni  Ni20  1  0.667339  0.585371  0.453876  1
  Ni  Ni21  1  0.343665  0.704421  0.522561  1
  Ni  Ni22  1  0.840974  0.833873  0.499790  1
  Ni  Ni23  1  0.175479  0.196765  0.522229  1
  Ni  Ni24  1  0.672792  0.326222  0.499444  1
  Ni  Ni25  1  0.349019  0.445470  0.568099  1
  Ni  Ni26  1  0.846373  0.574566  0.545382  1
  Ni  Ni27  1  0.180764  0.937707  0.567795  1
  Ni  Ni28  1  0.678311  0.066890  0.545041  1
  Ni  Ni29  1  0.354991  0.187021  0.613498  1
  Ni  Ni30  1  0.851673  0.315168  0.591059  1
  Ni  Ni31  1  0.184616  0.678834  0.613321  1
  Ni  Ni32  1  0.683677  0.806958  0.590733  1
  Ni  Ni33  1  0.362130  0.930010  0.658140  1
  Ni  Ni34  1  0.858212  0.056422  0.636846  1
  Ni  Ni35  1  0.188352  0.422460  0.658077  1
  Ni  Ni36  1  0.686807  0.546224  0.636687  1
  Ni  Ni37  1  0.350544  0.655790  0.700552  1
  Ni  Ni38  1  0.858341  0.790998  0.681680  1
  Ni  Ni39  1  0.199585  0.163931  0.699995  1
  Ni  Ni40  1  0.698555  0.288419  0.682004  1
  H  H41  1  0.976193  0.821310  0.279542  1
  H  H42  1  0.479675  0.686222  0.304037  1
  H  H43  1  0.989042  0.550505  0.328119  1
  H  H44  1  0.487255  0.425804  0.351855  1
  H  H45  1  0.991907  0.292649  0.374208  1
  H  H46  1  0.494060  0.163855  0.397169  1
  H  H47  1  0.997483  0.033487  0.419802  1
  H  H48  1  0.499985  0.904184  0.442661  1
  H  H49  1  1.002805  0.774485  0.465420  1
  H  H50  1  0.505506  0.644893  0.488219  1
  H  H51  1  0.008206  0.515318  0.511015  1
  H  H52  1  0.511019  0.385613  0.533779  1
  H  H53  1  0.013541  0.256307  0.556629  1
  H  H54  1  0.516901  0.125891  0.579268  1
  H  H55  1  0.018954  0.997289  0.602231  1
  H  H56  1  0.523658  0.864198  0.624592  1
  H  H57  1  0.022242  0.739422  0.648237  1
  H  H58  1  0.530309  0.607820  0.671844  1
  H  H59  1  0.025670  0.471826  0.696242  1
  H  H60  1  0.471063  0.351131  0.715149  1
