# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77131440
_cell_length_b   16.14579000
_cell_length_c   46.95420505
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03161625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H18 Pd54'
_cell_volume   2100.96841944
_cell_formula_units_Z   18
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
  H  H1  1  0.782208  0.346243  0.407278  1
  H  H2  1  0.535473  0.645309  0.324864  1
  H  H3  1  0.502678  0.959069  0.320761  1
  H  H4  1  0.841724  0.340204  0.328963  1
  H  H5  1  0.025676  0.769766  0.399422  1
  H  H6  1  0.016558  0.094487  0.334067  1
  H  H7  1  0.005698  0.394819  0.551196  1
  H  H8  1  0.058593  0.705849  0.501598  1
  H  H9  1  0.030148  0.030558  0.452581  1
  H  H10  1  0.273839  0.467193  0.444942  1
  H  H11  1  0.543331  0.842969  0.533709  1
  H  H12  1  0.529629  0.160743  0.487414  1
  H  H13  1  0.511279  0.454451  0.686580  1
  H  H14  1  0.041251  0.737938  0.689423  1
  H  H15  1  0.518142  0.098070  0.589175  1
  H  H16  1  0.504637  0.530044  0.582242  1
  H  H17  1  0.765965  0.887194  0.666595  1
  H  H18  1  0.011955  0.212644  0.665384  1
  Pd  Pd19  1  0.305294  0.264686  0.417701  1
  Pd  Pd20  1  0.514857  0.570345  0.368964  1
  Pd  Pd21  1  0.021390  0.876024  0.332230  1
  Pd  Pd22  1  0.802656  0.292349  0.366537  1
  Pd  Pd23  1  0.035226  0.592507  0.317110  1
  Pd  Pd24  1  0.020555  0.981388  0.413807  1
  Pd  Pd25  1  0.273493  0.422306  0.395040  1
  Pd  Pd26  1  0.032904  0.716595  0.361565  1
  Pd  Pd27  1  -0.003014  0.021546  0.308898  1
  Pd  Pd28  1  0.771644  0.537179  0.428480  1
  Pd  Pd29  1  0.527727  0.850758  0.385732  1
  Pd  Pd30  1  0.517854  0.158700  0.332287  1
  Pd  Pd31  1  0.876560  0.441578  0.339168  1
  Pd  Pd32  1  0.529628  0.738135  0.312658  1
  Pd  Pd33  1  0.988695  0.133284  0.384991  1
  Pd  Pd34  1  0.342133  0.315291  0.314237  1
  Pd  Pd35  1  0.527691  0.693582  0.412126  1
  Pd  Pd36  1  0.496539  0.004058  0.360373  1
  Pd  Pd37  1  0.505563  0.326866  0.568764  1
  Pd  Pd38  1  0.565722  0.634315  0.516006  1
  Pd  Pd39  1  0.519936  0.951601  0.465736  1
  Pd  Pd40  1  0.982151  0.359322  0.514519  1
  Pd  Pd41  1  0.058935  0.662518  0.464459  1
  Pd  Pd42  1  0.523900  0.046241  0.550210  1
  Pd  Pd43  1  0.487302  0.483538  0.543147  1
  Pd  Pd44  1  0.549502  0.792218  0.491460  1
  Pd  Pd45  1  0.529300  0.109190  0.441001  1
  Pd  Pd46  1  0.003832  0.610014  0.571958  1
  Pd  Pd47  1  0.037135  0.918631  0.520934  1
  Pd  Pd48  1  0.037566  0.231171  0.474128  1
  Pd  Pd49  1  0.276798  0.501897  0.482371  1
  Pd  Pd50  1  0.030209  0.822545  0.437820  1
  Pd  Pd51  1  0.509875  0.204215  0.524971  1
  Pd  Pd52  1  0.773276  0.381933  0.451860  1
  Pd  Pd53  1  0.048353  0.763092  0.544857  1
  Pd  Pd54  1  0.012372  0.074738  0.495742  1
  Pd  Pd55  1  0.011192  0.409750  0.698271  1
  Pd  Pd56  1  0.009107  0.713300  0.649544  1
  Pd  Pd57  1  0.023722  0.017414  0.602677  1
  Pd  Pd58  1  0.513975  0.430588  0.648477  1
  Pd  Pd59  1  0.520784  0.738579  0.598256  1
  Pd  Pd60  1  0.013882  0.119947  0.676763  1
  Pd  Pd61  1  0.021260  0.556085  0.676403  1
  Pd  Pd62  1  0.016702  0.863664  0.626709  1
  Pd  Pd63  1  0.015628  0.174542  0.577259  1
  Pd  Pd64  1  0.537580  0.689074  0.699115  1
  Pd  Pd65  1  0.533739  0.983023  0.656127  1
  Pd  Pd66  1  0.014201  0.297371  0.624237  1
  Pd  Pd67  1  0.506249  0.584413  0.624181  1
  Pd  Pd68  1  0.533932  0.890099  0.573457  1
  Pd  Pd69  1  0.512783  0.269647  0.675372  1
  Pd  Pd70  1  0.005068  0.455359  0.596624  1
  Pd  Pd71  1  0.263465  0.844595  0.683884  1
  Pd  Pd72  1  0.516984  0.147657  0.628028  1
