# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47426980
_cell_length_b   6.85682687
_cell_length_c   46.37611067
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06548785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni30 H10'
_cell_volume   786.799866561
_cell_formula_units_Z   10
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  0.748576  0.447312  0.343260  1
  Ni  Ni2  1  0.748161  0.642038  0.300814  1
  Ni  Ni3  1  0.749106  0.274947  0.298873  1
  Ni  Ni4  1  0.248933  0.954563  0.296619  1
  Ni  Ni5  1  0.249068  0.772495  0.345315  1
  Ni  Ni6  1  0.247790  0.126752  0.341143  1
  Ni  Ni7  1  0.747850  0.808923  0.434016  1
  Ni  Ni8  1  0.747670  0.999168  0.385917  1
  Ni  Ni9  1  0.748728  0.638041  0.388822  1
  Ni  Ni10  1  0.248352  0.317285  0.386430  1
  Ni  Ni11  1  0.248656  0.127357  0.434507  1
  Ni  Ni12  1  0.247266  0.486560  0.431988  1
  Ni  Ni13  1  0.747112  0.170851  0.524678  1
  Ni  Ni14  1  0.746796  0.360150  0.476714  1
  Ni  Ni15  1  0.748150  0.000647  0.479306  1
  Ni  Ni16  1  0.247601  0.678629  0.477311  1
  Ni  Ni17  1  0.247917  0.489330  0.525275  1
  Ni  Ni18  1  0.246563  0.848833  0.522682  1
  Ni  Ni19  1  0.746361  0.532195  0.615559  1
  Ni  Ni20  1  0.746057  0.722123  0.567482  1
  Ni  Ni21  1  0.747448  0.362920  0.570001  1
  Ni  Ni22  1  0.246863  0.040557  0.567973  1
  Ni  Ni23  1  0.247043  0.850312  0.616072  1
  Ni  Ni24  1  0.245986  0.211439  0.613167  1
  Ni  Ni25  1  0.745780  0.894917  0.705370  1
  Ni  Ni26  1  0.745646  0.076985  0.656674  1
  Ni  Ni27  1  0.746924  0.722728  0.660846  1
  Ni  Ni28  1  0.246138  0.402168  0.658729  1
  Ni  Ni29  1  0.246552  0.207442  0.701175  1
  Ni  Ni30  1  0.245607  0.574533  0.703116  1
  H  H31  1  0.248638  0.456217  0.304509  1
  H  H32  1  0.748754  0.909286  0.321793  1
  H  H33  1  0.248006  0.848830  0.405111  1
  H  H34  1  0.748199  0.277765  0.415548  1
  H  H35  1  0.247259  0.208898  0.495554  1
  H  H36  1  0.747454  0.640582  0.506435  1
  H  H37  1  0.246515  0.571715  0.586441  1
  H  H38  1  0.746708  0.000650  0.596878  1
  H  H39  1  0.245960  0.940194  0.680196  1
  H  H40  1  0.746075  0.393263  0.697480  1
