# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44088498
_cell_length_b   8.48718736
_cell_length_c   47.42705872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.93418671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H20 Pd60'
_cell_volume   2150.31841291
_cell_formula_units_Z   20
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  0.776503  0.332090  0.301188  1
  H  H2  1  0.167073  0.958261  0.285733  1
  H  H3  1  0.699747  0.052358  0.273456  1
  H  H4  1  0.102018  0.630768  0.313539  1
  H  H5  1  0.742869  0.078448  0.353672  1
  H  H6  1  0.121796  0.503487  0.379448  1
  H  H7  1  0.691897  0.878099  0.404986  1
  H  H8  1  0.080049  0.298557  0.428676  1
  H  H9  1  0.667085  0.678647  0.457031  1
  H  H10  1  0.033587  0.085448  0.475232  1
  H  H11  1  0.619281  0.469507  0.505052  1
  H  H12  1  0.985783  0.876308  0.523253  1
  H  H13  1  0.572819  0.256399  0.551608  1
  H  H14  1  0.960971  0.676856  0.575299  1
  H  H15  1  0.531072  0.051468  0.600836  1
  H  H16  1  0.910000  0.476507  0.626612  1
  H  H17  1  0.550851  0.924188  0.666745  1
  H  H18  1  0.953122  0.502598  0.706828  1
  H  H19  1  0.485795  0.596695  0.694551  1
  H  H20  1  0.876365  0.222866  0.679096  1
  Pd  Pd21  1  0.597523  0.470722  0.303829  1
  Pd  Pd22  1  0.712576  0.245449  0.271364  1
  Pd  Pd23  1  0.081019  0.443698  0.300931  1
  Pd  Pd24  1  0.427243  0.939018  0.269884  1
  Pd  Pd25  1  0.273401  0.164564  0.301915  1
  Pd  Pd26  1  0.959792  1.003682  0.264427  1
  Pd  Pd27  1  0.572761  0.254011  0.348701  1
  Pd  Pd28  1  0.747782  0.051399  0.314424  1
  Pd  Pd29  1  0.055093  0.240661  0.351577  1
  Pd  Pd30  1  0.407868  0.735707  0.311386  1
  Pd  Pd31  1  0.231264  0.944069  0.345029  1
  Pd  Pd32  1  0.938888  0.766959  0.301290  1
  Pd  Pd33  1  0.519298  0.039718  0.393434  1
  Pd  Pd34  1  0.718372  0.849871  0.356632  1
  Pd  Pd35  1  1.001879  0.020135  0.397781  1
  Pd  Pd36  1  0.391486  0.533674  0.356011  1
  Pd  Pd37  1  0.197774  0.727406  0.392114  1
  Pd  Pd38  1  0.917076  0.564993  0.349292  1
  Pd  Pd39  1  0.479104  0.835608  0.440050  1
  Pd  Pd40  1  0.678594  0.656994  0.401976  1
  Pd  Pd41  1  0.960767  0.811131  0.444835  1
  Pd  Pd42  1  0.329951  0.331652  0.401539  1
  Pd  Pd43  1  0.142636  0.518488  0.439398  1
  Pd  Pd44  1  0.852096  0.367878  0.396897  1
  Pd  Pd45  1  0.425929  0.630488  0.486679  1
  Pd  Pd46  1  0.622844  0.452847  0.448163  1
  Pd  Pd47  1  0.906465  0.603400  0.491494  1
  Pd  Pd48  1  0.278423  0.128072  0.447171  1
  Pd  Pd49  1  0.085496  0.308123  0.485739  1
  Pd  Pd50  1  0.798256  0.158721  0.442434  1
  Pd  Pd51  1  0.374446  0.426883  0.533113  1
  Pd  Pd52  1  0.567372  0.246832  0.494545  1
  Pd  Pd53  1  0.854612  0.396234  0.537850  1
  Pd  Pd54  1  0.226939  0.924468  0.493605  1
  Pd  Pd55  1  0.030024  0.102108  0.532121  1
  Pd  Pd56  1  0.746403  0.951555  0.488790  1
  Pd  Pd57  1  0.322917  0.223303  0.578745  1
  Pd  Pd58  1  0.510233  0.036467  0.540886  1
  Pd  Pd59  1  0.800773  0.187078  0.583387  1
  Pd  Pd60  1  0.173765  0.719347  0.540234  1
  Pd  Pd61  1  0.974274  0.897961  0.578308  1
  Pd  Pd62  1  0.692101  0.743824  0.535449  1
  Pd  Pd63  1  0.261382  0.021281  0.624273  1
  Pd  Pd64  1  0.455095  0.827549  0.588170  1
  Pd  Pd65  1  0.735793  0.989963  0.630992  1
  Pd  Pd66  1  0.133571  0.515237  0.586850  1
  Pd  Pd67  1  0.934496  0.705084  0.623652  1
  Pd  Pd68  1  0.650990  0.534820  0.582503  1
  Pd  Pd69  1  0.245000  0.819248  0.668898  1
  Pd  Pd70  1  0.421605  0.610886  0.635255  1
  Pd  Pd71  1  0.713980  0.787996  0.678994  1
  Pd  Pd72  1  0.080108  0.300944  0.631583  1
  Pd  Pd73  1  0.905087  0.503556  0.665860  1
  Pd  Pd74  1  0.597776  0.314294  0.628708  1
  Pd  Pd75  1  0.225625  0.615938  0.710400  1
  Pd  Pd76  1  0.379467  0.390392  0.678369  1
  Pd  Pd77  1  0.693076  0.551274  0.715857  1
  Pd  Pd78  1  0.055346  0.084234  0.676455  1
  Pd  Pd79  1  0.940292  0.309506  0.708920  1
  Pd  Pd80  1  0.571850  0.111257  0.679353  1
