# generated using pymatgen
data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80572130
_cell_length_b   9.15095363
_cell_length_c   51.43968662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd
_chemical_formula_sum   'H64 Pd64'
_cell_volume   2592.63934605
_cell_formula_units_Z   64
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  0.885309  0.803970  0.274487  1
  H  H2  1  0.667540  0.368240  0.256070  1
  H  H3  1  0.548224  0.643058  0.245295  1
  H  H4  1  0.790523  0.058118  0.260905  1
  H  H5  1  0.061737  0.643069  0.245301  1
  H  H6  1  0.233816  0.057987  0.260872  1
  H  H7  1  0.392606  0.818252  0.274263  1
  H  H8  1  0.146895  0.327377  0.253964  1
  H  H9  1  0.300271  0.634275  0.338023  1
  H  H10  1  0.095470  0.223904  0.302342  1
  H  H11  1  0.994550  0.507920  0.290680  1
  H  H12  1  0.207894  0.946676  0.319341  1
  H  H13  1  0.479773  0.507834  0.290666  1
  H  H14  1  0.706021  0.946707  0.319345  1
  H  H15  1  0.799617  0.633063  0.338227  1
  H  H16  1  0.596319  0.225854  0.302050  1
  H  H17  1  0.725063  0.483851  0.398965  1
  H  H18  1  0.504048  0.041126  0.368371  1
  H  H19  1  0.401013  0.333884  0.356654  1
  H  H20  1  0.614021  0.761812  0.383711  1
  H  H21  1  0.899415  0.333847  0.356657  1
  H  H22  1  0.114255  0.761759  0.383719  1
  H  H23  1  0.225190  0.484208  0.398729  1
  H  H24  1  1.003757  0.040482  0.368784  1
  H  H25  1  0.164229  0.361574  0.451206  1
  H  H26  1  0.945529  0.924190  0.423472  1
  H  H27  1  0.833621  0.200088  0.409618  1
  H  H28  1  0.057087  0.646445  0.438857  1
  H  H29  1  0.333438  0.200143  0.409606  1
  H  H30  1  0.555883  0.646470  0.438848  1
  H  H31  1  0.664072  0.361264  0.451265  1
  H  H32  1  0.445607  0.924488  0.423419  1
  H  H33  1  0.588494  0.210093  0.510414  1
  H  H34  1  0.382487  0.797889  0.480113  1
  H  H35  1  0.272901  0.079197  0.464568  1
  H  H36  1  0.485365  0.503598  0.494557  1
  H  H37  1  0.773243  0.079134  0.464584  1
  H  H38  1  0.985266  0.503516  0.494569  1
  H  H39  1  0.088612  0.210393  0.510324  1
  H  H40  1  0.882526  0.798015  0.480086  1
  H  H41  1  1.015342  0.063955  0.571446  1
  H  H42  1  0.800541  0.634199  0.540299  1
  H  H43  1  0.694295  0.921941  0.526454  1
  H  H44  1  0.909048  0.351560  0.555729  1
  H  H45  1  0.194388  0.921811  0.526492  1
  H  H46  1  0.409304  0.351558  0.555745  1
  H  H47  1  0.515314  0.063907  0.571475  1
  H  H48  1  0.300532  0.634210  0.540085  1
  H  H49  1  0.430921  0.894775  0.634883  1
  H  H50  1  0.219811  0.473126  0.605921  1
  H  H51  1  0.118810  0.769048  0.585554  1
  H  H52  1  0.328497  0.184712  0.621152  1
  H  H53  1  0.617155  0.768977  0.585573  1
  H  H54  1  0.822936  0.184519  0.621088  1
  H  H55  1  0.931654  0.895731  0.633189  1
  H  H56  1  0.720081  0.473789  0.606593  1
  H  H57  1  0.894337  0.822381  0.681951  1
  H  H58  1  0.657708  0.349393  0.673387  1
  H  H59  1  0.545017  0.594523  0.654640  1
  H  H60  1  0.803026  0.082184  0.675401  1
  H  H61  1  1.015839  0.594321  0.654677  1
  H  H62  1  0.245228  0.082058  0.675420  1
  H  H63  1  0.365492  0.764831  0.680460  1
  H  H64  1  0.162005  0.357609  0.675732  1
  Pd  Pd65  1  0.765727  0.564424  0.253814  1
  Pd  Pd66  1  0.988362  1.009571  0.293042  1
  Pd  Pd67  1  0.651363  0.846693  0.251038  1
  Pd  Pd68  1  0.868611  0.296120  0.274188  1
  Pd  Pd69  1  0.162132  0.846675  0.251056  1
  Pd  Pd70  1  0.394363  0.295847  0.274119  1
  Pd  Pd71  1  0.257111  0.547146  0.253534  1
  Pd  Pd72  1  0.045282  0.124547  0.243139  1
  Pd  Pd73  1  0.203083  0.438959  0.315598  1
  Pd  Pd74  1  0.410395  0.853934  0.346489  1
  Pd  Pd75  1  0.093120  0.716357  0.301313  1
  Pd  Pd76  1  0.313033  0.155982  0.334185  1
  Pd  Pd77  1  0.590135  0.716360  0.301290  1
  Pd  Pd78  1  0.810050  0.156021  0.334193  1
  Pd  Pd79  1  0.706439  0.446035  0.317523  1
  Pd  Pd80  1  0.491961  0.016630  0.289669  1
  Pd  Pd81  1  0.623713  0.280670  0.379869  1
  Pd  Pd82  1  0.836365  0.706076  0.408112  1
  Pd  Pd83  1  0.512047  0.563030  0.362504  1
  Pd  Pd84  1  0.727522  0.989572  0.393062  1
  Pd  Pd85  1  1.017735  0.562991  0.362497  1
  Pd  Pd86  1  0.228846  0.989526  0.393063  1
  Pd  Pd87  1  0.122468  0.278097  0.379737  1
  Pd  Pd88  1  0.908759  0.850725  0.347176  1
  Pd  Pd89  1  0.051482  0.136102  0.439484  1
  Pd  Pd90  1  0.265777  0.564867  0.469582  1
  Pd  Pd91  1  0.945558  0.423631  0.424588  1
  Pd  Pd92  1  0.159213  0.852250  0.454752  1
  Pd  Pd93  1  0.444831  0.423633  0.424591  1
  Pd  Pd94  1  0.659810  0.852254  0.454761  1
  Pd  Pd95  1  0.551721  0.136576  0.439587  1
  Pd  Pd96  1  0.336976  0.707271  0.408604  1
  Pd  Pd97  1  0.478932  0.991118  0.500920  1
  Pd  Pd98  1  0.689141  0.411699  0.530212  1
  Pd  Pd99  1  0.371896  0.277495  0.485387  1
  Pd  Pd100  1  0.583117  0.698920  0.514584  1
  Pd  Pd101  1  0.872311  0.277478  0.485390  1
  Pd  Pd102  1  0.082443  0.698913  0.514588  1
  Pd  Pd103  1  0.979046  0.991318  0.500919  1
  Pd  Pd104  1  0.765611  0.564498  0.469489  1
  Pd  Pd105  1  0.902268  0.837811  0.558843  1
  Pd  Pd106  1  0.118251  0.269751  0.589933  1
  Pd  Pd107  1  0.797381  0.128377  0.546136  1
  Pd  Pd108  1  1.008069  0.553588  0.574231  1
  Pd  Pd109  1  0.297622  0.128369  0.546143  1
  Pd  Pd110  1  0.512216  0.553553  0.574230  1
  Pd  Pd111  1  0.401504  0.836284  0.558704  1
  Pd  Pd112  1  0.189558  0.412519  0.530367  1
  Pd  Pd113  1  0.324300  0.681961  0.618445  1
  Pd  Pd114  1  0.537331  0.107891  0.647203  1
  Pd  Pd115  1  0.218673  0.968025  0.602948  1
  Pd  Pd116  1  0.437952  0.406686  0.634134  1
  Pd  Pd117  1  0.716070  0.968054  0.602949  1
  Pd  Pd118  1  0.935539  0.406735  0.634123  1
  Pd  Pd119  1  0.827005  0.687534  0.620043  1
  Pd  Pd120  1  0.616454  0.266120  0.590792  1
  Pd  Pd121  1  0.764525  0.562576  0.676954  1
  Pd  Pd122  1  0.985630  1.005079  0.693530  1
  Pd  Pd123  1  0.636826  0.830642  0.662921  1
  Pd  Pd124  1  0.865784  0.272318  0.685424  1
  Pd  Pd125  1  0.160098  0.830666  0.662888  1
  Pd  Pd126  1  0.372904  0.272072  0.685437  1
  Pd  Pd127  1  0.263004  0.559449  0.677746  1
  Pd  Pd128  1  0.041495  0.116278  0.643473  1
