# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39684969
_cell_length_b   4.96299527
_cell_length_c   47.29602286
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.32321130
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni34 H17'
_cell_volume   925.053444201
_cell_formula_units_Z   17
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  0.105368  0.365903  0.281524  1
  Ni  Ni2  1  0.973986  0.821321  0.292227  1
  Ni  Ni3  1  0.549827  0.272741  0.303337  1
  Ni  Ni4  1  0.451398  0.747473  0.315859  1
  Ni  Ni5  1  1.008337  0.196597  0.330461  1
  Ni  Ni6  1  0.911838  0.663495  0.342353  1
  Ni  Ni7  1  0.469299  0.116792  0.355406  1
  Ni  Ni8  1  0.375879  0.588322  0.368417  1
  Ni  Ni9  1  0.932629  0.036415  0.382151  1
  Ni  Ni10  1  0.835642  0.506774  0.395232  1
  Ni  Ni11  1  0.395070  0.958153  0.408303  1
  Ni  Ni12  1  0.297974  0.427865  0.421536  1
  Ni  Ni13  1  0.857273  0.878703  0.434860  1
  Ni  Ni14  1  0.759947  0.348234  0.448101  1
  Ni  Ni15  1  0.319522  0.799555  0.461189  1
  Ni  Ni16  1  0.222456  0.269141  0.474488  1
  Ni  Ni17  1  0.781925  0.720342  0.487639  1
  Ni  Ni18  1  0.684663  0.189778  0.500924  1
  Ni  Ni19  1  0.244132  0.640979  0.514074  1
  Ni  Ni20  1  0.147066  0.110566  0.527374  1
  Ni  Ni21  1  0.706640  0.561887  0.540461  1
  Ni  Ni22  1  0.609315  0.031417  0.553702  1
  Ni  Ni23  1  0.168614  0.482255  0.567027  1
  Ni  Ni24  1  0.071518  0.951967  0.580260  1
  Ni  Ni25  1  0.630946  0.403346  0.593331  1
  Ni  Ni26  1  0.533959  0.873706  0.606412  1
  Ni  Ni27  1  0.090709  0.321798  0.620145  1
  Ni  Ni28  1  0.997289  0.793329  0.633157  1
  Ni  Ni29  1  0.554750  0.246625  0.646209  1
  Ni  Ni30  1  0.458251  0.713523  0.658102  1
  Ni  Ni31  1  0.015190  0.162647  0.672704  1
  Ni  Ni32  1  0.916761  0.637380  0.685226  1
  Ni  Ni33  1  0.492602  0.088799  0.696336  1
  Ni  Ni34  1  0.361220  0.544217  0.707038  1
  H  H35  1  0.530993  0.575197  0.281995  1
  H  H36  1  0.996778  0.520357  0.306668  1
  H  H37  1  0.461000  0.432387  0.334939  1
  H  H38  1  0.922002  0.354058  0.362571  1
  H  H39  1  0.384342  0.273591  0.388481  1
  H  H40  1  0.846140  0.192943  0.415112  1
  H  H41  1  0.308725  0.113868  0.441388  1
  H  H42  1  0.770919  0.034370  0.467881  1
  H  H43  1  0.233294  0.955060  0.494281  1
  H  H44  1  0.695668  0.875750  0.520682  1
  H  H45  1  0.157863  0.796252  0.547174  1
  H  H46  1  0.620447  0.717178  0.573451  1
  H  H47  1  0.082246  0.636529  0.600082  1
  H  H48  1  0.544586  0.556063  0.625992  1
  H  H49  1  1.005588  0.477733  0.653624  1
  H  H50  1  0.469810  0.389764  0.681895  1
  H  H51  1  0.935595  0.334923  0.706568  1
