# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56350213
_cell_length_b   5.95267859
_cell_length_c   54.99021789
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.11759601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H16 Pd48'
_cell_volume   1773.63117835
_cell_formula_units_Z   16
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  0.937416  0.543721  0.218852  1
  H  H2  1  0.443703  0.547871  0.220532  1
  H  H3  1  0.098274  0.179959  0.233825  1
  H  H4  1  0.413577  0.451559  0.279154  1
  H  H5  1  0.055342  1.059353  0.305624  1
  H  H6  1  0.390258  0.313848  0.342995  1
  H  H7  1  0.024147  0.915231  0.365638  1
  H  H8  1  0.372482  0.147269  0.403216  1
  H  H9  1  0.977238  0.756185  0.417002  1
  H  H10  1  0.308609  1.003069  0.454262  1
  H  H11  1  0.915891  0.611391  0.467877  1
  H  H12  1  0.260925  0.843955  0.505354  1
  H  H13  1  0.899339  0.446299  0.528855  1
  H  H14  1  0.232118  0.721541  0.568602  1
  H  H15  1  0.827642  0.118571  0.613493  1
  H  H16  1  0.157062  0.580867  0.613989  1
  Pd  Pd17  1  0.864343  0.244500  0.218923  1
  Pd  Pd18  1  0.027374  0.902540  0.244876  1
  Pd  Pd19  1  0.363163  0.244171  0.219040  1
  Pd  Pd20  1  0.718914  0.665402  0.209969  1
  Pd  Pd21  1  0.527611  0.898965  0.245194  1
  Pd  Pd22  1  0.219329  0.661662  0.210057  1
  Pd  Pd23  1  0.839707  0.144107  0.280977  1
  Pd  Pd24  1  0.983334  0.736007  0.292952  1
  Pd  Pd25  1  0.336827  0.144296  0.280814  1
  Pd  Pd26  1  0.670309  0.484582  0.256247  1
  Pd  Pd27  1  0.482716  0.729702  0.292633  1
  Pd  Pd28  1  0.171231  0.481543  0.256003  1
  Pd  Pd29  1  0.797263  0.981067  0.329156  1
  Pd  Pd30  1  0.957274  0.635295  0.353682  1
  Pd  Pd31  1  0.292819  0.982610  0.329400  1
  Pd  Pd32  1  0.644777  0.390113  0.317325  1
  Pd  Pd33  1  0.458136  0.629251  0.353455  1
  Pd  Pd34  1  0.149601  0.388701  0.317090  1
  Pd  Pd35  1  0.769831  0.864650  0.390883  1
  Pd  Pd36  1  0.909171  0.451754  0.404734  1
  Pd  Pd37  1  0.263235  0.864102  0.390888  1
  Pd  Pd38  1  0.599976  0.220106  0.366592  1
  Pd  Pd39  1  0.409234  0.443712  0.404455  1
  Pd  Pd40  1  0.105135  0.221065  0.366400  1
  Pd  Pd41  1  0.718265  0.670718  0.442437  1
  Pd  Pd42  1  0.876439  0.314927  0.467086  1
  Pd  Pd43  1  0.212032  0.673838  0.442496  1
  Pd  Pd44  1  0.567226  1.087549  0.429008  1
  Pd  Pd45  1  0.376719  0.306643  0.466805  1
  Pd  Pd46  1  0.073584  1.084348  0.428998  1
  Pd  Pd47  1  0.685730  0.538970  0.505079  1
  Pd  Pd48  1  0.827350  0.128839  0.517881  1
  Pd  Pd49  1  0.180924  0.538148  0.505206  1
  Pd  Pd50  1  0.515635  0.892884  0.480575  1
  Pd  Pd51  1  0.327535  0.122508  0.517558  1
  Pd  Pd52  1  0.021749  0.893534  0.480531  1
  Pd  Pd53  1  0.638460  0.367684  0.553498  1
  Pd  Pd54  1  0.805978  1.034236  0.578451  1
  Pd  Pd55  1  0.136348  0.369762  0.553765  1
  Pd  Pd56  1  0.489424  0.781354  0.542585  1
  Pd  Pd57  1  0.302583  1.029866  0.578255  1
  Pd  Pd58  1  0.992377  0.777216  0.542183  1
  Pd  Pd59  1  0.618264  0.273620  0.614193  1
  Pd  Pd60  1  0.759700  0.860246  0.622728  1
  Pd  Pd61  1  0.112685  0.291290  0.616095  1
  Pd  Pd62  1  0.442402  0.609472  0.589365  1
  Pd  Pd63  1  0.251191  0.841563  0.622773  1
  Pd  Pd64  1  0.946839  0.610249  0.589195  1
