# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46879221
_cell_length_b   13.07955124
_cell_length_c   50.35885909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.00687941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H32 Pd96'
_cell_volume   3557.85571344
_cell_formula_units_Z   32
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  0.816641  0.159574  0.285731  1
  H  H2  1  0.297158  0.702873  0.286031  1
  H  H3  1  0.169305  0.922303  0.295010  1
  H  H4  1  0.376041  0.495145  0.285375  1
  H  H5  1  0.916256  0.170032  0.344609  1
  H  H6  1  0.815895  0.586062  0.288776  1
  H  H7  1  0.574216  0.847557  0.343235  1
  H  H8  1  0.248449  0.247041  0.282859  1
  H  H9  1  0.945588  0.155416  0.402798  1
  H  H10  1  0.405192  0.664371  0.372142  1
  H  H11  1  0.612784  0.834015  0.402953  1
  H  H12  1  0.079561  0.344779  0.373788  1
  H  H13  1  -0.002143  0.138254  0.458872  1
  H  H14  1  0.469071  0.646002  0.430007  1
  H  H15  1  0.662868  0.818682  0.459380  1
  H  H16  1  0.133270  0.327864  0.430765  1
  H  H17  1  0.048173  0.121739  0.514965  1
  H  H18  1  0.522326  0.629865  0.486994  1
  H  H19  1  0.715125  0.803502  0.515593  1
  H  H20  1  0.184004  0.311351  0.487160  1
  H  H21  1  0.099406  0.104159  0.571378  1
  H  H22  1  0.575936  0.615369  0.543960  1
  H  H23  1  0.770744  0.788335  0.571871  1
  H  H24  1  0.233195  0.294084  0.543424  1
  H  H25  1  0.119305  0.104900  0.631337  1
  H  H26  1  0.630793  0.604894  0.601961  1
  H  H27  1  0.654780  0.886846  0.665348  1
  H  H28  1  0.271680  0.274457  0.600486  1
  H  H29  1  0.167542  0.038018  0.680005  1
  H  H30  1  0.555779  0.608603  0.678194  1
  H  H31  1  0.187743  0.816651  0.678323  1
  H  H32  1  0.238432  0.239624  0.676833  1
  Pd  Pd33  1  0.527280  0.189764  0.274767  1
  Pd  Pd34  1  0.125265  0.606725  0.281175  1
  Pd  Pd35  1  0.919060  0.024894  0.290140  1
  Pd  Pd36  1  0.651191  0.511500  0.273005  1
  Pd  Pd37  1  0.022048  0.206182  0.267988  1
  Pd  Pd38  1  0.602308  0.702174  0.290893  1
  Pd  Pd39  1  0.791838  0.852964  0.318211  1
  Pd  Pd40  1  0.233740  0.380841  0.286332  1
  Pd  Pd41  1  0.414984  0.996538  0.295253  1
  Pd  Pd42  1  0.924388  0.515468  0.321737  1
  Pd  Pd43  1  0.134086  0.813422  0.279831  1
  Pd  Pd44  1  0.744047  0.340648  0.300407  1
  Pd  Pd45  1  0.636655  0.169123  0.325958  1
  Pd  Pd46  1  0.134152  0.670188  0.349182  1
  Pd  Pd47  1  0.984682  1.015104  0.344940  1
  Pd  Pd48  1  0.427421  0.524678  0.319556  1
  Pd  Pd49  1  0.140612  0.181939  0.317695  1
  Pd  Pd50  1  0.635024  0.682363  0.345579  1
  Pd  Pd51  1  0.830825  0.841758  0.372672  1
  Pd  Pd52  1  0.286849  0.351044  0.342577  1
  Pd  Pd53  1  0.485793  0.997953  0.351556  1
  Pd  Pd54  1  -0.002086  0.493038  0.377669  1
  Pd  Pd55  1  0.291833  0.841160  0.326593  1
  Pd  Pd56  1  0.797134  0.335956  0.352963  1
  Pd  Pd57  1  0.673941  0.159221  0.380484  1
  Pd  Pd58  1  0.196397  0.652590  0.405921  1
  Pd  Pd59  1  0.028401  1.002676  0.400337  1
  Pd  Pd60  1  0.492350  0.511720  0.372538  1
  Pd  Pd61  1  0.165360  0.175616  0.372180  1
  Pd  Pd62  1  0.691967  0.665952  0.400265  1
  Pd  Pd63  1  0.882599  0.826705  0.428018  1
  Pd  Pd64  1  0.348296  0.337200  0.398739  1
  Pd  Pd65  1  0.531471  0.983606  0.407555  1
  Pd  Pd66  1  0.049796  0.478111  0.434078  1
  Pd  Pd67  1  0.337886  0.826187  0.380460  1
  Pd  Pd68  1  0.857690  0.321122  0.407574  1
  Pd  Pd69  1  0.726106  0.144262  0.435622  1
  Pd  Pd70  1  0.250043  0.637209  0.462489  1
  Pd  Pd71  1  0.079509  0.987636  0.455815  1
  Pd  Pd72  1  0.546135  0.496218  0.427782  1
  Pd  Pd73  1  0.218158  0.160597  0.427537  1
  Pd  Pd74  1  0.743904  0.651611  0.455834  1
  Pd  Pd75  1  0.934668  0.812071  0.483570  1
  Pd  Pd76  1  0.402363  0.321519  0.454844  1
  Pd  Pd77  1  0.582658  0.968481  0.463249  1
  Pd  Pd78  1  0.102460  0.462613  0.489946  1
  Pd  Pd79  1  0.389545  0.811390  0.435537  1
  Pd  Pd80  1  0.910708  0.305247  0.463120  1
  Pd  Pd81  1  0.778231  0.128517  0.491303  1
  Pd  Pd82  1  0.303610  0.622331  0.518720  1
  Pd  Pd83  1  0.132017  0.972101  0.511564  1
  Pd  Pd84  1  0.599643  0.480958  0.483390  1
  Pd  Pd85  1  0.269910  0.145053  0.483091  1
  Pd  Pd86  1  0.797108  0.636676  0.511657  1
  Pd  Pd87  1  0.988095  0.796887  0.539074  1
  Pd  Pd88  1  0.454664  0.305947  0.510545  1
  Pd  Pd89  1  0.635160  0.953126  0.519073  1
  Pd  Pd90  1  0.152729  0.448340  0.545163  1
  Pd  Pd91  1  0.441995  0.796564  0.491147  1
  Pd  Pd92  1  0.962245  0.289664  0.518911  1
  Pd  Pd93  1  0.831814  0.112208  0.547331  1
  Pd  Pd94  1  0.356746  0.608470  0.575203  1
  Pd  Pd95  1  0.186113  0.955945  0.567536  1
  Pd  Pd96  1  0.650505  0.466436  0.539028  1
  Pd  Pd97  1  0.321959  0.129643  0.538500  1
  Pd  Pd98  1  0.851538  0.621465  0.567766  1
  Pd  Pd99  1  0.041960  0.782430  0.593683  1
  Pd  Pd100  1  0.504797  0.290839  0.565768  1
  Pd  Pd101  1  0.689778  0.937766  0.574970  1
  Pd  Pd102  1  0.201647  0.433851  0.599534  1
  Pd  Pd103  1  0.496550  0.781262  0.546923  1
  Pd  Pd104  1  0.011502  0.274642  0.574845  1
  Pd  Pd105  1  0.886366  0.099522  0.603783  1
  Pd  Pd106  1  0.415089  0.596049  0.632212  1
  Pd  Pd107  1  0.239880  0.940142  0.623716  1
  Pd  Pd108  1  0.697913  0.452377  0.594279  1
  Pd  Pd109  1  0.375388  0.114148  0.593275  1
  Pd  Pd110  1  0.910192  0.602070  0.622770  1
  Pd  Pd111  1  0.111810  0.766090  0.646375  1
  Pd  Pd112  1  0.544256  0.276754  0.620474  1
  Pd  Pd113  1  0.740398  0.929965  0.630855  1
  Pd  Pd114  1  0.211598  0.434748  0.651242  1
  Pd  Pd115  1  0.551349  0.765506  0.602077  1
  Pd  Pd116  1  0.055287  0.260433  0.631227  1
  Pd  Pd117  1  0.910833  0.095333  0.660326  1
  Pd  Pd118  1  0.467189  0.501805  0.686971  1
  Pd  Pd119  1  0.366322  0.926548  0.678558  1
  Pd  Pd120  1  0.727299  0.430411  0.646366  1
  Pd  Pd121  1  0.416973  0.103169  0.646962  1
  Pd  Pd122  1  0.877115  0.584413  0.677267  1
  Pd  Pd123  1  0.327389  0.700495  0.689433  1
  Pd  Pd124  1  0.518582  0.276515  0.674935  1
  Pd  Pd125  1  0.894544  0.896633  0.683254  1
  Pd  Pd126  1  -0.005332  0.321682  0.683603  1
  Pd  Pd127  1  0.631881  0.754906  0.655469  1
  Pd  Pd128  1  0.248158  0.136369  0.694146  1
