# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36477874
_cell_length_b   3.77672174
_cell_length_c   50.69749610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.48846020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni14 H42'
_cell_volume   576.624104403
_cell_formula_units_Z   14
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  0.698378  0.281843  0.284159  1
  Ni  Ni2  1  0.377593  0.683039  0.312830  1
  Ni  Ni3  1  0.683057  0.301535  0.341104  1
  Ni  Ni4  1  0.373180  0.685548  0.372605  1
  Ni  Ni5  1  0.680432  0.301759  0.403758  1
  Ni  Ni6  1  0.372347  0.685515  0.434585  1
  Ni  Ni7  1  0.680278  0.301807  0.465492  1
  Ni  Ni8  1  0.372319  0.685513  0.496440  1
  Ni  Ni9  1  0.680251  0.301805  0.527348  1
  Ni  Ni10  1  0.372166  0.685561  0.558174  1
  Ni  Ni11  1  0.679417  0.301772  0.589327  1
  Ni  Ni12  1  0.369541  0.685785  0.620828  1
  Ni  Ni13  1  0.675005  0.304281  0.649102  1
  Ni  Ni14  1  0.354220  0.705477  0.677773  1
  H  H15  1  0.837059  0.612287  0.305575  1
  H  H16  1  0.864859  0.181183  0.310759  1
  H  H17  1  0.408681  0.202446  0.309827  1
  H  H18  1  0.700727  0.399171  0.253068  1
  H  H19  1  0.306548  0.753205  0.278517  1
  H  H20  1  0.095615  0.176813  0.263734  1
  H  H21  1  0.827179  0.592725  0.373001  1
  H  H22  1  0.845862  0.192370  0.372817  1
  H  H23  1  0.406854  0.192576  0.372813  1
  H  H24  1  0.230179  0.395121  0.341470  1
  H  H25  1  0.202537  0.795277  0.341936  1
  H  H26  1  0.655667  0.797986  0.342230  1
  H  H27  1  0.827070  0.595040  0.434566  1
  H  H28  1  0.845830  0.192550  0.434579  1
  H  H29  1  0.405690  0.192394  0.434577  1
  H  H30  1  0.226082  0.392782  0.403603  1
  H  H31  1  0.207660  0.794822  0.403621  1
  H  H32  1  0.646761  0.794896  0.403630  1
  H  H33  1  0.826977  0.594937  0.496417  1
  H  H34  1  0.845569  0.192519  0.496423  1
  H  H35  1  0.405825  0.192463  0.496424  1
  H  H36  1  0.225621  0.392383  0.465516  1
  H  H37  1  0.207029  0.794801  0.465509  1
  H  H38  1  0.646773  0.794857  0.465509  1
  H  H39  1  0.826515  0.594538  0.558329  1
  H  H40  1  0.844937  0.192498  0.558312  1
  H  H41  1  0.405837  0.192424  0.558302  1
  H  H42  1  0.225528  0.392280  0.527367  1
  H  H43  1  0.206768  0.794770  0.527353  1
  H  H44  1  0.646908  0.794926  0.527355  1
  H  H45  1  0.822419  0.592199  0.620463  1
  H  H46  1  0.850061  0.192043  0.619996  1
  H  H47  1  0.396931  0.189334  0.619702  1
  H  H48  1  0.225419  0.394595  0.588931  1
  H  H49  1  0.206736  0.794950  0.589115  1
  H  H50  1  0.645744  0.794744  0.589119  1
  H  H51  1  0.351871  0.588148  0.708865  1
  H  H52  1  0.746049  0.234115  0.683416  1
  H  H53  1  0.956983  0.810507  0.698198  1
  H  H54  1  0.215539  0.375032  0.656357  1
  H  H55  1  0.187739  0.806137  0.651173  1
  H  H56  1  0.643917  0.784874  0.652105  1
