# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48168186
_cell_length_b   8.46022583
_cell_length_c   50.99532423
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.97658445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni42 H14'
_cell_volume   1070.67678017
_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  0.739563  0.566076  0.261972  1
  Ni  Ni2  1  0.739281  0.831996  0.278855  1
  Ni  Ni3  1  0.739041  0.348115  0.292068  1
  Ni  Ni4  1  0.239213  0.891826  0.318968  1
  Ni  Ni5  1  0.239295  0.603747  0.303684  1
  Ni  Ni6  1  0.239202  0.097094  0.285194  1
  Ni  Ni7  1  0.738966  0.143707  0.326992  1
  Ni  Ni8  1  0.739709  0.422113  0.339886  1
  Ni  Ni9  1  0.739159  0.933880  0.361241  1
  Ni  Ni10  1  0.239562  0.467995  0.383609  1
  Ni  Ni11  1  0.238870  0.189322  0.370048  1
  Ni  Ni12  1  0.239415  0.678578  0.350568  1
  Ni  Ni13  1  0.739300  0.723092  0.393755  1
  Ni  Ni14  1  0.739730  1.004232  0.408512  1
  Ni  Ni15  1  0.739361  0.510669  0.426783  1
  Ni  Ni16  1  0.239612  0.046389  0.451362  1
  Ni  Ni17  1  0.239180  0.765844  0.437074  1
  Ni  Ni18  1  0.239535  0.259502  0.417907  1
  Ni  Ni19  1  0.739356  0.301206  0.460850  1
  Ni  Ni20  1  0.739921  0.580323  0.474636  1
  Ni  Ni21  1  0.739469  0.087997  0.494080  1
  Ni  Ni22  1  0.239793  0.622106  0.517946  1
  Ni  Ni23  1  0.239228  0.342989  0.504160  1
  Ni  Ni24  1  0.239681  0.835315  0.484716  1
  Ni  Ni25  1  0.739537  0.876923  0.527434  1
  Ni  Ni26  1  0.739969  0.157469  0.541722  1
  Ni  Ni27  1  0.739614  0.663810  0.560888  1
  Ni  Ni28  1  0.239849  0.200220  0.585041  1
  Ni  Ni29  1  0.239419  0.919081  0.570284  1
  Ni  Ni30  1  0.239788  0.412643  0.552013  1
  Ni  Ni31  1  0.739587  0.455317  0.595187  1
  Ni  Ni32  1  0.740279  0.733990  0.608747  1
  Ni  Ni33  1  0.739734  0.244734  0.628228  1
  Ni  Ni34  1  0.240184  0.779605  0.651804  1
  Ni  Ni35  1  0.239440  0.501199  0.638910  1
  Ni  Ni36  1  0.239991  0.989433  0.617555  1
  Ni  Ni37  1  0.739937  0.031487  0.659828  1
  Ni  Ni38  1  0.739855  0.319566  0.675112  1
  Ni  Ni39  1  0.739947  0.826218  0.693602  1
  Ni  Ni40  1  0.239586  0.357237  0.716824  1
  Ni  Ni41  1  0.239869  0.091316  0.699941  1
  Ni  Ni42  1  0.240108  0.575198  0.686728  1
  H  H43  1  0.239399  0.695510  0.265138  1
  H  H44  1  0.739294  0.730384  0.319887  1
  H  H45  1  0.239148  0.292167  0.315789  1
  H  H46  1  0.739363  0.312420  0.392016  1
  H  H47  1  0.239402  0.889154  0.388405  1
  H  H48  1  0.739513  0.887346  0.458699  1
  H  H49  1  0.239511  0.457477  0.452629  1
  H  H50  1  0.739638  0.465835  0.526167  1
  H  H51  1  0.239636  0.035966  0.520097  1
  H  H52  1  0.739747  0.034159  0.590390  1
  H  H53  1  0.239786  0.610892  0.586780  1
  H  H54  1  0.740001  0.631146  0.663007  1
  H  H55  1  0.239855  0.192928  0.658909  1
  H  H56  1  0.739750  0.227803  0.713658  1
