# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54220870
_cell_length_b   18.94172387
_cell_length_c   50.28371169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.64992931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H48 Pd144'
_cell_volume   5277.26773622
_cell_formula_units_Z   48
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  0.375785  0.722180  0.281122  1
  H  H2  1  0.934679  0.054874  0.275888  1
  H  H3  1  0.697176  0.344543  0.278138  1
  H  H4  1  0.907613  0.486390  0.274597  1
  H  H5  1  0.750585  0.919725  0.283898  1
  H  H6  1  0.728810  0.203224  0.274609  1
  H  H7  1  0.136729  0.608263  0.269316  1
  H  H8  1  0.965783  1.000962  0.320406  1
  H  H9  1  0.389586  0.264521  0.328093  1
  H  H10  1  0.919262  0.478374  0.338849  1
  H  H11  1  0.632619  0.806836  0.310861  1
  H  H12  1  0.191079  0.168691  0.291562  1
  H  H13  1  0.384932  0.682979  0.400816  1
  H  H14  1  0.082949  1.011358  0.383097  1
  H  H15  1  0.696474  0.333606  0.417963  1
  H  H16  1  0.919804  0.468325  0.396422  1
  H  H17  1  0.625187  0.806068  0.374607  1
  H  H18  1  0.189889  0.116601  0.347833  1
  H  H19  1  0.397346  0.668188  0.457838  1
  H  H20  1  0.074432  1.009391  0.439186  1
  H  H21  1  0.734337  0.326898  0.476514  1
  H  H22  1  0.943782  0.451958  0.451954  1
  H  H23  1  0.625939  0.795875  0.432605  1
  H  H24  1  0.312989  0.132546  0.411962  1
  H  H25  1  0.408062  0.654759  0.514423  1
  H  H26  1  0.090157  0.998668  0.495072  1
  H  H27  1  0.720731  0.318087  0.535071  1
  H  H28  1  0.959117  0.441213  0.507846  1
  H  H29  1  0.636771  0.782428  0.489186  1
  H  H30  1  0.299190  0.123733  0.470526  1
  H  H31  1  0.408775  0.644552  0.572426  1
  H  H32  1  0.114391  0.982299  0.550595  1
  H  H33  1  0.844560  0.334052  0.599254  1
  H  H34  1  0.950659  0.439225  0.563937  1
  H  H35  1  0.649172  0.767625  0.546209  1
  H  H36  1  0.337687  0.117149  0.529088  1
  H  H37  1  0.401389  0.643743  0.636174  1
  H  H38  1  0.114844  0.972189  0.608169  1
  H  H39  1  0.843041  0.281849  0.655462  1
  H  H40  1  0.068358  0.449670  0.626638  1
  H  H41  1  0.897276  0.842309  0.677715  1
  H  H42  1  0.644600  0.186064  0.618919  1
  H  H43  1  0.283425  0.530860  0.663136  1
  H  H44  1  0.126429  0.964168  0.672431  1
  H  H45  1  0.305209  0.247345  0.672414  1
  H  H46  1  0.099459  0.395677  0.671139  1
  H  H47  1  0.658247  0.728384  0.665913  1
  H  H48  1  0.336985  0.106017  0.668890  1
  Pd  Pd49  1  0.139128  0.697580  0.265139  1
  Pd  Pd50  1  0.709992  0.052932  0.303040  1
  Pd  Pd51  1  0.437889  0.387396  0.281703  1
  Pd  Pd52  1  0.395909  0.604128  0.292158  1
  Pd  Pd53  1  0.971403  0.966667  0.272713  1
  Pd  Pd54  1  0.752168  0.277805  0.260346  1
  Pd  Pd55  1  0.634937  0.709351  0.268111  1
  Pd  Pd56  1  0.214301  0.054080  0.303992  1
  Pd  Pd57  1  0.940386  0.396645  0.280658  1
  Pd  Pd58  1  0.140933  0.522219  0.260170  1
  Pd  Pd59  1  0.860891  0.827934  0.289699  1
  Pd  Pd60  1  0.459762  0.167064  0.276952  1
  Pd  Pd61  1  0.889501  0.602409  0.292815  1
  Pd  Pd62  1  0.487046  0.945922  0.276178  1
  Pd  Pd63  1  0.170467  0.269354  0.300836  1
  Pd  Pd64  1  0.651129  0.508277  0.262652  1
  Pd  Pd65  1  0.364478  0.812857  0.292579  1
  Pd  Pd66  1  0.962318  0.143479  0.271375  1
  Pd  Pd67  1  0.130040  0.706462  0.319885  1
  Pd  Pd68  1  0.846123  1.025633  0.354605  1
  Pd  Pd69  1  0.418174  0.372085  0.337210  1
  Pd  Pd70  1  0.402806  0.591347  0.345027  1
  Pd  Pd71  1  0.115570  0.919966  0.323645  1
  Pd  Pd72  1  0.671954  0.273563  0.310108  1
  Pd  Pd73  1  0.632782  0.709365  0.320793  1
  Pd  Pd74  1  0.339659  1.025422  0.355874  1
  Pd  Pd75  1  0.925279  0.375556  0.336997  1
  Pd  Pd76  1  0.165203  0.489126  0.314199  1
  Pd  Pd77  1  0.871918  0.807505  0.348881  1
  Pd  Pd78  1  0.443248  0.160489  0.333293  1
  Pd  Pd79  1  0.901653  0.587877  0.345749  1
  Pd  Pd80  1  0.619783  0.917046  0.325379  1
  Pd  Pd81  1  0.184566  0.262090  0.360210  1
  Pd  Pd82  1  0.664450  0.486130  0.315260  1
  Pd  Pd83  1  0.373381  0.807174  0.349964  1
  Pd  Pd84  1  0.948029  0.160697  0.330153  1
  Pd  Pd85  1  0.139688  0.691452  0.375293  1
  Pd  Pd86  1  0.834649  1.014801  0.410999  1
  Pd  Pd87  1  0.431905  0.359066  0.393984  1
  Pd  Pd88  1  0.406225  0.578791  0.399537  1
  Pd  Pd89  1  0.101143  0.912180  0.380360  1
  Pd  Pd90  1  0.682888  0.260057  0.364470  1
  Pd  Pd91  1  0.638071  0.693382  0.375331  1
  Pd  Pd92  1  0.329504  1.015815  0.411874  1
  Pd  Pd93  1  0.930574  0.360413  0.393598  1
  Pd  Pd94  1  0.164828  0.474881  0.368947  1
  Pd  Pd95  1  0.867574  0.797102  0.404878  1
  Pd  Pd96  1  0.561699  0.130342  0.386902  1
  Pd  Pd97  1  0.905683  0.574619  0.400247  1
  Pd  Pd98  1  0.602067  0.908428  0.381111  1
  Pd  Pd99  1  0.284355  0.232831  0.415444  1
  Pd  Pd100  1  0.667420  0.473544  0.369429  1
  Pd  Pd101  1  0.370895  0.795023  0.405454  1
  Pd  Pd102  1  0.065291  0.131477  0.384332  1
  Pd  Pd103  1  0.146553  0.678387  0.430579  1
  Pd  Pd104  1  0.829937  1.004479  0.467213  1
  Pd  Pd105  1  0.495104  0.337074  0.447895  1
  Pd  Pd106  1  0.417855  0.565340  0.455110  1
  Pd  Pd107  1  0.099474  0.902648  0.436128  1
  Pd  Pd108  1  0.783525  0.237027  0.417435  1
  Pd  Pd109  1  0.642755  0.680374  0.430281  1
  Pd  Pd110  1  0.325315  1.007087  0.467443  1
  Pd  Pd111  1  0.988965  0.341283  0.448539  1
  Pd  Pd112  1  0.173634  0.462304  0.424420  1
  Pd  Pd113  1  0.875141  0.785080  0.460621  1
  Pd  Pd114  1  0.547410  0.122745  0.442787  1
  Pd  Pd115  1  0.917699  0.561191  0.455764  1
  Pd  Pd116  1  0.599950  0.898452  0.436604  1
  Pd  Pd117  1  0.265245  0.223314  0.472716  1
  Pd  Pd118  1  0.677394  0.460080  0.424731  1
  Pd  Pd119  1  0.378954  0.783025  0.461132  1
  Pd  Pd120  1  0.052454  0.120249  0.441374  1
  Pd  Pd121  1  0.158892  0.665523  0.486399  1
  Pd  Pd122  1  0.860471  0.988273  0.522611  1
  Pd  Pd123  1  0.486128  0.327912  0.504227  1
  Pd  Pd124  1  0.433812  0.552163  0.510428  1
  Pd  Pd125  1  0.116431  0.889400  0.491255  1
  Pd  Pd126  1  0.768367  0.227327  0.474312  1
  Pd  Pd127  1  0.655080  0.667578  0.485893  1
  Pd  Pd128  1  0.356697  0.990512  0.522285  1
  Pd  Pd129  1  0.981105  0.330380  0.505664  1
  Pd  Pd130  1  0.203823  0.446145  0.479826  1
  Pd  Pd131  1  0.887529  0.772206  0.516445  1
  Pd  Pd132  1  0.538528  0.113584  0.499128  1
  Pd  Pd133  1  0.934246  0.547972  0.510897  1
  Pd  Pd134  1  0.616270  0.885248  0.491918  1
  Pd  Pd135  1  0.250147  0.213611  0.529596  1
  Pd  Pd136  1  0.708441  0.443556  0.479585  1
  Pd  Pd137  1  0.391317  0.770217  0.516745  1
  Pd  Pd138  1  0.044674  0.109357  0.498496  1
  Pd  Pd139  1  0.166354  0.653500  0.542145  1
  Pd  Pd140  1  0.869319  0.975680  0.578078  1
  Pd  Pd141  1  0.472044  0.320279  0.560119  1
  Pd  Pd142  1  0.431766  0.542170  0.565919  1
  Pd  Pd143  1  0.128419  0.875959  0.546774  1
  Pd  Pd144  1  0.749285  0.217792  0.531586  1
  Pd  Pd145  1  0.663047  0.655571  0.541574  1
  Pd  Pd146  1  0.366728  0.977019  0.577590  1
  Pd  Pd147  1  0.968498  0.319104  0.562703  1
  Pd  Pd148  1  0.198967  0.435827  0.536038  1
  Pd  Pd149  1  0.894346  0.759128  0.571734  1
  Pd  Pd150  1  0.602226  0.091505  0.553034  1
  Pd  Pd151  1  0.932683  0.538420  0.566667  1
  Pd  Pd152  1  0.627861  0.871789  0.547488  1
  Pd  Pd153  1  0.351258  0.190509  0.582548  1
  Pd  Pd154  1  0.704166  0.434774  0.535165  1
  Pd  Pd155  1  0.395967  0.757198  0.571697  1
  Pd  Pd156  1  0.103575  0.090161  0.553427  1
  Pd  Pd157  1  0.162048  0.643081  0.598144  1
  Pd  Pd158  1  0.868898  0.961437  0.632828  1
  Pd  Pd159  1  0.590848  0.290074  0.613720  1
  Pd  Pd160  1  0.414144  0.533524  0.621650  1
  Pd  Pd161  1  0.132444  0.862694  0.601276  1
  Pd  Pd162  1  0.849564  0.188440  0.586822  1
  Pd  Pd163  1  0.660571  0.643403  0.597066  1
  Pd  Pd164  1  0.369635  0.964424  0.631766  1
  Pd  Pd165  1  0.086064  0.289857  0.616863  1
  Pd  Pd166  1  0.187754  0.424948  0.592432  1
  Pd  Pd167  1  0.903954  0.744107  0.627145  1
  Pd  Pd168  1  0.615952  0.078446  0.609813  1
  Pd  Pd169  1  0.918359  0.530624  0.623380  1
  Pd  Pd170  1  0.631288  0.859225  0.601999  1
  Pd  Pd171  1  0.362238  0.176977  0.636911  1
  Pd  Pd172  1  0.694227  0.425173  0.591155  1
  Pd  Pd173  1  0.401210  0.741207  0.626237  1
  Pd  Pd174  1  0.108876  0.074997  0.610026  1
  Pd  Pd175  1  0.173068  0.622638  0.657328  1
  Pd  Pd176  1  0.893076  0.928356  0.686858  1
  Pd  Pd177  1  0.574306  0.283473  0.670060  1
  Pd  Pd178  1  0.546955  0.504644  0.670849  1
  Pd  Pd179  1  0.144502  0.848158  0.654214  1
  Pd  Pd180  1  0.863708  0.181194  0.646186  1
  Pd  Pd181  1  0.669480  0.637715  0.654455  1
  Pd  Pd182  1  0.382895  0.942272  0.684378  1
  Pd  Pd183  1  0.071700  0.307081  0.675650  1
  Pd  Pd184  1  0.324097  0.397608  0.643993  1
  Pd  Pd185  1  0.894887  0.752997  0.681893  1
  Pd  Pd186  1  0.596229  0.063144  0.665325  1
  Pd  Pd187  1  0.062588  0.483894  0.674304  1
  Pd  Pd188  1  0.638133  0.846444  0.654868  1
  Pd  Pd189  1  0.281897  0.172761  0.686675  1
  Pd  Pd190  1  0.819782  0.396477  0.643022  1
  Pd  Pd191  1  0.399095  0.741231  0.678921  1
  Pd  Pd192  1  0.093754  0.053913  0.666367  1
