# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80721438
_cell_length_b   7.82601380
_cell_length_c   54.00183679
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.01131838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H28 Pd84'
_cell_volume   3138.19146962
_cell_formula_units_Z   28
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  0.811828  0.520482  0.262530  1
  H  H2  1  0.126858  0.557004  0.261750  1
  H  H3  1  0.097208  0.948015  0.269454  1
  H  H4  1  0.321575  0.137608  0.259419  1
  H  H5  1  0.293820  0.275987  0.351175  1
  H  H6  1  0.510825  0.422162  0.315796  1
  H  H7  1  0.697651  0.671011  0.341409  1
  H  H8  1  0.664316  0.922400  0.269543  1
  H  H9  1  0.869113  0.967272  0.413581  1
  H  H10  1  0.080674  0.119240  0.382005  1
  H  H11  1  0.270951  0.364707  0.405288  1
  H  H12  1  0.481391  0.519882  0.373151  1
  H  H13  1  0.446893  0.658924  0.476180  1
  H  H14  1  0.657930  0.813160  0.444903  1
  H  H15  1  0.847967  1.056673  0.467917  1
  H  H16  1  0.059005  0.210909  0.436640  1
  H  H17  1  0.024507  0.349950  0.539668  1
  H  H18  1  0.234946  0.505126  0.507532  1
  H  H19  1  0.425224  0.750593  0.530814  1
  H  H20  1  0.636784  0.902561  0.499239  1
  H  H21  1  0.841581  0.947433  0.643277  1
  H  H22  1  0.808246  0.198822  0.571411  1
  H  H23  1  -0.004928  0.447670  0.597023  1
  H  H24  1  0.212078  0.593845  0.561645  1
  H  H25  1  0.184322  0.732225  0.653401  1
  H  H26  1  0.408689  0.921818  0.643366  1
  H  H27  1  0.379039  0.312829  0.651069  1
  H  H28  1  0.694069  0.349350  0.650290  1
  Pd  Pd29  1  0.460421  0.577604  0.291203  1
  Pd  Pd30  1  0.661474  0.721396  0.260917  1
  Pd  Pd31  1  0.758269  0.339366  0.269436  1
  Pd  Pd32  1  -0.017318  0.502464  0.245263  1
  Pd  Pd33  1  0.184045  0.738487  0.259322  1
  Pd  Pd34  1  0.962251  0.585976  0.291747  1
  Pd  Pd35  1  0.546377  0.084153  0.252825  1
  Pd  Pd36  1  0.359974  0.957466  0.283849  1
  Pd  Pd37  1  0.051579  0.201912  0.300708  1
  Pd  Pd38  1  0.283172  0.357333  0.270571  1
  Pd  Pd39  1  0.110595  0.118501  0.252548  1
  Pd  Pd40  1  0.869740  0.959839  0.277337  1
  Pd  Pd41  1  0.037352  0.276878  0.352605  1
  Pd  Pd42  1  0.251270  0.426812  0.321730  1
  Pd  Pd43  1  0.344182  1.053114  0.332399  1
  Pd  Pd44  1  0.564562  0.193169  0.301764  1
  Pd  Pd45  1  0.750323  0.436177  0.320852  1
  Pd  Pd46  1  0.543009  0.284618  0.351999  1
  Pd  Pd47  1  0.143274  0.816105  0.310857  1
  Pd  Pd48  1  0.941370  0.665796  0.342683  1
  Pd  Pd49  1  0.636264  0.891700  0.362191  1
  Pd  Pd50  1  0.850051  1.046858  0.331095  1
  Pd  Pd51  1  0.661121  0.819695  0.311383  1
  Pd  Pd52  1  0.442019  0.666994  0.341146  1
  Pd  Pd53  1  0.617515  0.968496  0.414906  1
  Pd  Pd54  1  0.828931  0.121083  0.383424  1
  Pd  Pd55  1  0.926621  0.749476  0.394037  1
  Pd  Pd56  1  0.135608  0.900324  0.362470  1
  Pd  Pd57  1  0.330258  0.131734  0.383267  1
  Pd  Pd58  1  0.119578  0.977373  0.414328  1
  Pd  Pd59  1  0.729226  0.518068  0.372434  1
  Pd  Pd60  1  0.522115  0.363661  0.403976  1
  Pd  Pd61  1  0.212463  0.581763  0.424899  1
  Pd  Pd62  1  0.423020  0.737452  0.393301  1
  Pd  Pd63  1  0.232781  0.510228  0.373060  1
  Pd  Pd64  1  0.018479  0.355865  0.404265  1
  Pd  Pd65  1  0.196054  0.659572  0.477557  1
  Pd  Pd66  1  0.406147  0.814069  0.446195  1
  Pd  Pd67  1  0.505620  0.441848  0.456602  1
  Pd  Pd68  1  0.715329  0.596624  0.425149  1
  Pd  Pd69  1  0.908932  0.823315  0.445825  1
  Pd  Pd70  1  0.697084  0.669418  0.477130  1
  Pd  Pd71  1  0.309843  0.210261  0.435262  1
  Pd  Pd72  1  0.099750  1.055764  0.466625  1
  Pd  Pd73  1  0.790568  0.273208  0.487670  1
  Pd  Pd74  1  0.000277  0.427984  0.456217  1
  Pd  Pd75  1  0.808813  0.200415  0.435690  1
  Pd  Pd76  1  0.596965  1.046518  0.466994  1
  Pd  Pd77  1  0.776671  0.351764  0.540385  1
  Pd  Pd78  1  -0.016217  0.506172  0.508844  1
  Pd  Pd79  1  0.082877  0.132381  0.519519  1
  Pd  Pd80  1  0.293434  0.288070  0.487920  1
  Pd  Pd81  1  0.487418  0.513968  0.508555  1
  Pd  Pd82  1  0.273116  0.359604  0.539759  1
  Pd  Pd83  1  0.888382  0.901336  0.497914  1
  Pd  Pd84  1  0.676966  0.748749  0.529396  1
  Pd  Pd85  1  0.370290  0.969509  0.550350  1
  Pd  Pd86  1  0.579277  0.120356  0.518782  1
  Pd  Pd87  1  0.386320  0.892460  0.498491  1
  Pd  Pd88  1  0.175639  0.738098  0.529553  1
  Pd  Pd89  1  0.362623  1.053728  0.601962  1
  Pd  Pd90  1  0.564527  0.204036  0.570136  1
  Pd  Pd91  1  0.655846  0.822975  0.581725  1
  Pd  Pd92  1  0.869633  0.978132  0.550629  1
  Pd  Pd93  1  0.063878  0.202838  0.571674  1
  Pd  Pd94  1  0.844776  1.050138  0.601436  1
  Pd  Pd95  1  0.468545  0.592954  0.560214  1
  Pd  Pd96  1  0.254627  0.443021  0.591090  1
  Pd  Pd97  1  0.941335  0.676663  0.611056  1
  Pd  Pd98  1  0.161715  0.816719  0.580420  1
  Pd  Pd99  1  0.962888  0.585215  0.560820  1
  Pd  Pd100  1  0.755574  0.433656  0.591967  1
  Pd  Pd101  1  0.959520  0.785680  0.659995  1
  Pd  Pd102  1  0.145923  0.912367  0.628971  1
  Pd  Pd103  1  0.222725  0.512500  0.642248  1
  Pd  Pd104  1  0.454318  0.667921  0.612112  1
  Pd  Pd105  1  0.636157  0.909994  0.635483  1
  Pd  Pd106  1  0.395302  0.751331  0.660272  1
  Pd  Pd107  1  0.045477  0.292228  0.621616  1
  Pd  Pd108  1  0.844423  0.148437  0.651903  1
  Pd  Pd109  1  0.523215  0.367369  0.667556  1
  Pd  Pd110  1  0.747628  0.530467  0.643384  1
  Pd  Pd111  1  0.543646  0.283857  0.621073  1
  Pd  Pd112  1  0.321852  0.131346  0.653498  1
