# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06709839
_cell_length_b   19.49923759
_cell_length_c   50.55433345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.96571027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H54 Pd162'
_cell_volume   5922.06576225
_cell_formula_units_Z   54
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  0.934173  0.120582  0.274352  1
  H  H2  1  0.583553  0.469421  0.266683  1
  H  H3  1  0.498922  0.722363  0.275506  1
  H  H4  1  0.415277  0.969231  0.279240  1
  H  H5  1  0.181435  0.242537  0.272633  1
  H  H6  1  0.754504  0.587568  0.285133  1
  H  H7  1  0.694776  0.111812  0.330339  1
  H  H8  1  0.431335  0.349998  0.267124  1
  H  H9  1  0.047309  0.717130  0.288448  1
  H  H10  1  0.262291  0.835601  0.279900  1
  H  H11  1  0.925870  0.234665  0.318324  1
  H  H12  1  0.542307  0.569096  0.342275  1
  H  H13  1  0.492053  0.098164  0.382465  1
  H  H14  1  0.267813  0.443101  0.354581  1
  H  H15  1  0.869973  0.774321  0.362280  1
  H  H16  1  0.170057  0.897896  0.353203  1
  H  H17  1  0.749775  0.219544  0.373101  1
  H  H18  1  0.338020  0.553379  0.394550  1
  H  H19  1  0.303590  0.081644  0.433264  1
  H  H20  1  0.081586  0.423874  0.405678  1
  H  H21  1  0.694734  0.745375  0.414576  1
  H  H22  1  0.969832  0.879992  0.404790  1
  H  H23  1  0.559179  0.203892  0.423864  1
  H  H24  1  0.146424  0.534342  0.445210  1
  H  H25  1  0.117923  0.065711  0.484020  1
  H  H26  1  0.896297  0.407797  0.456236  1
  H  H27  1  0.510125  0.733254  0.466742  1
  H  H28  1  0.782323  0.864447  0.455789  1
  H  H29  1  0.373779  0.188175  0.474718  1
  H  H30  1  0.955831  0.519845  0.495822  1
  H  H31  1  0.929893  0.051101  0.534857  1
  H  H32  1  0.710248  0.393052  0.506851  1
  H  H33  1  0.323683  0.719569  0.518372  1
  H  H34  1  0.595447  0.849002  0.506675  1
  H  H35  1  0.186786  0.173466  0.525442  1
  H  H36  1  0.760860  0.509311  0.546550  1
  H  H37  1  0.739176  0.038585  0.586535  1
  H  H38  1  0.521055  0.379964  0.557658  1
  H  H39  1  0.133844  0.707207  0.570392  1
  H  H40  1  0.402759  0.835494  0.557738  1
  H  H41  1  -0.004872  0.159882  0.576378  1
  H  H42  1  0.560545  0.499624  0.597689  1
  H  H43  1  0.649190  0.915488  0.668313  1
  H  H44  1  0.311509  0.372044  0.609575  1
  H  H45  1  0.228563  0.687901  0.677591  1
  H  H46  1  0.202746  0.822122  0.609868  1
  H  H47  1  0.837335  0.154823  0.633865  1
  H  H48  1  0.467683  0.558800  0.672478  1
  H  H49  1  0.404046  0.031449  0.675776  1
  H  H50  1  0.076095  0.324967  0.664439  1
  H  H51  1  0.725268  0.655724  0.657657  1
  H  H52  1  0.988766  0.819853  0.663395  1
  H  H53  1  0.546015  0.153008  0.672813  1
  H  H54  1  0.326444  0.416115  0.671657  1
  Pd  Pd55  1  0.738858  0.145793  0.255257  1
  Pd  Pd56  1  0.317830  0.457481  0.270022  1
  Pd  Pd57  1  0.007899  0.802074  0.278946  1
  Pd  Pd58  1  0.927620  0.033505  0.278400  1
  Pd  Pd59  1  0.664281  0.375384  0.256396  1
  Pd  Pd60  1  0.285717  0.680303  0.273909  1
  Pd  Pd61  1  0.170317  0.154850  0.266845  1
  Pd  Pd62  1  0.760761  0.458076  0.294282  1
  Pd  Pd63  1  0.525185  0.801410  0.267879  1
  Pd  Pd64  1  0.661931  0.921103  0.288890  1
  Pd  Pd65  1  0.415952  0.264165  0.260145  1
  Pd  Pd66  1  0.022411  0.570588  0.279214  1
  Pd  Pd67  1  0.472551  0.034443  0.263642  1
  Pd  Pd68  1  0.081309  0.351456  0.276522  1
  Pd  Pd69  1  0.724149  0.682514  0.290222  1
  Pd  Pd70  1  0.229074  0.917997  0.272384  1
  Pd  Pd71  1  0.819099  0.249149  0.285803  1
  Pd  Pd72  1  0.601006  0.557287  0.263403  1
  Pd  Pd73  1  0.542049  0.128856  0.300537  1
  Pd  Pd74  1  0.148251  0.450036  0.320166  1
  Pd  Pd75  1  0.788996  0.790380  0.327130  1
  Pd  Pd76  1  0.731043  1.015875  0.327871  1
  Pd  Pd77  1  0.484733  0.350281  0.303135  1
  Pd  Pd78  1  0.088830  0.672682  0.320743  1
  Pd  Pd79  1  0.978823  0.130025  0.316094  1
  Pd  Pd80  1  0.564873  0.446349  0.342540  1
  Pd  Pd81  1  0.352740  0.783011  0.313327  1
  Pd  Pd82  1  0.464517  0.900888  0.338386  1
  Pd  Pd83  1  0.230709  0.241407  0.309074  1
  Pd  Pd84  1  0.829699  0.564782  0.327648  1
  Pd  Pd85  1  0.294365  1.013916  0.310051  1
  Pd  Pd86  1  0.892257  0.339515  0.327519  1
  Pd  Pd87  1  0.507149  0.666744  0.342175  1
  Pd  Pd88  1  0.041300  0.898764  0.320626  1
  Pd  Pd89  1  0.631776  0.229089  0.336266  1
  Pd  Pd90  1  0.404099  0.558673  0.310901  1
  Pd  Pd91  1  0.361117  0.110475  0.349045  1
  Pd  Pd92  1  0.959489  0.433872  0.370047  1
  Pd  Pd93  1  0.599642  0.774625  0.377438  1
  Pd  Pd94  1  0.539884  0.999189  0.378474  1
  Pd  Pd95  1  0.302508  0.336745  0.352011  1
  Pd  Pd96  1  0.900389  0.661657  0.369627  1
  Pd  Pd97  1  0.794191  0.112005  0.367401  1
  Pd  Pd98  1  0.380359  0.431814  0.391858  1
  Pd  Pd99  1  0.160968  0.769848  0.361253  1
  Pd  Pd100  1  0.272409  0.883383  0.389519  1
  Pd  Pd101  1  0.044922  0.224601  0.358964  1
  Pd  Pd102  1  0.642352  0.550359  0.377434  1
  Pd  Pd103  1  0.106499  0.994361  0.359033  1
  Pd  Pd104  1  0.702495  0.321699  0.377932  1
  Pd  Pd105  1  0.313858  0.651345  0.393289  1
  Pd  Pd106  1  0.850958  0.882895  0.369929  1
  Pd  Pd107  1  0.442692  0.210592  0.387086  1
  Pd  Pd108  1  0.211676  0.545935  0.360135  1
  Pd  Pd109  1  0.179536  0.094097  0.398645  1
  Pd  Pd110  1  0.774083  0.416833  0.420454  1
  Pd  Pd111  1  0.413652  0.758461  0.428011  1
  Pd  Pd112  1  0.352536  0.983873  0.429260  1
  Pd  Pd113  1  0.119514  0.320482  0.401694  1
  Pd  Pd114  1  0.716842  0.646433  0.418963  1
  Pd  Pd115  1  0.608492  0.095278  0.418362  1
  Pd  Pd116  1  0.196831  0.415378  0.442027  1
  Pd  Pd117  1  0.977575  0.755443  0.410418  1
  Pd  Pd118  1  0.086471  0.867383  0.440712  1
  Pd  Pd119  1  0.860627  0.208161  0.409328  1
  Pd  Pd120  1  0.458542  0.534396  0.427748  1
  Pd  Pd121  1  0.920626  0.978537  0.409229  1
  Pd  Pd122  1  0.515978  0.304532  0.428442  1
  Pd  Pd123  1  0.126223  0.634740  0.443562  1
  Pd  Pd124  1  0.665817  0.867726  0.420694  1
  Pd  Pd125  1  0.255689  0.193059  0.437840  1
  Pd  Pd126  1  0.026138  0.529481  0.410487  1
  Pd  Pd127  1  -0.004151  0.077989  0.448940  1
  Pd  Pd128  1  0.588860  0.400408  0.471051  1
  Pd  Pd129  1  0.224594  0.742889  0.477848  1
  Pd  Pd130  1  0.167275  0.967648  0.480205  1
  Pd  Pd131  1  0.935520  0.304368  0.452060  1
  Pd  Pd132  1  0.531105  0.630929  0.468877  1
  Pd  Pd133  1  0.422616  0.079144  0.469412  1
  Pd  Pd134  1  0.011896  0.398839  0.492505  1
  Pd  Pd135  1  0.792739  0.740146  0.459792  1
  Pd  Pd136  1  0.900408  0.851943  0.491392  1
  Pd  Pd137  1  0.675223  0.191907  0.459948  1
  Pd  Pd138  1  0.273055  0.518295  0.478003  1
  Pd  Pd139  1  0.735513  0.963283  0.459772  1
  Pd  Pd140  1  0.331487  0.287980  0.479016  1
  Pd  Pd141  1  0.940095  0.619509  0.493247  1
  Pd  Pd142  1  0.480780  0.851845  0.471528  1
  Pd  Pd143  1  0.070340  0.177384  0.488408  1
  Pd  Pd144  1  0.840567  0.512797  0.460866  1
  Pd  Pd145  1  0.812480  0.062831  0.499351  1
  Pd  Pd146  1  0.403242  0.385113  0.521792  1
  Pd  Pd147  1  0.035225  0.728336  0.527257  1
  Pd  Pd148  1  0.979782  0.952499  0.531208  1
  Pd  Pd149  1  0.748769  0.288383  0.502840  1
  Pd  Pd150  1  0.343575  0.615781  0.519175  1
  Pd  Pd151  1  0.235311  0.063762  0.520402  1
  Pd  Pd152  1  0.826311  0.383871  0.542782  1
  Pd  Pd153  1  0.603195  0.726829  0.509076  1
  Pd  Pd154  1  0.714293  0.837884  0.541868  1
  Pd  Pd155  1  0.488685  0.175664  0.511080  1
  Pd  Pd156  1  0.086490  0.503432  0.528176  1
  Pd  Pd157  1  0.550221  0.948769  0.510328  1
  Pd  Pd158  1  0.147512  0.273351  0.529428  1
  Pd  Pd159  1  0.757023  0.606632  0.542290  1
  Pd  Pd160  1  0.293176  0.837283  0.522325  1
  Pd  Pd161  1  0.885993  0.163892  0.538689  1
  Pd  Pd162  1  0.654494  0.497646  0.511145  1
  Pd  Pd163  1  0.628441  0.048749  0.549609  1
  Pd  Pd164  1  0.216702  0.372252  0.572867  1
  Pd  Pd165  1  0.842622  0.715635  0.575615  1
  Pd  Pd166  1  0.790122  0.938242  0.582353  1
  Pd  Pd167  1  0.558940  0.273265  0.554067  1
  Pd  Pd168  1  0.152111  0.602129  0.569978  1
  Pd  Pd169  1  0.045340  0.049368  0.571198  1
  Pd  Pd170  1  0.641617  0.371581  0.592623  1
  Pd  Pd171  1  0.410656  0.713675  0.558552  1
  Pd  Pd172  1  0.527755  0.824461  0.591986  1
  Pd  Pd173  1  0.300378  0.160813  0.562222  1
  Pd  Pd174  1  0.898793  0.489662  0.578105  1
  Pd  Pd175  1  0.363756  0.935068  0.560960  1
  Pd  Pd176  1  0.962400  0.260703  0.579498  1
  Pd  Pd177  1  0.571425  0.594639  0.590483  1
  Pd  Pd178  1  0.103851  0.824034  0.573035  1
  Pd  Pd179  1  0.701579  0.151453  0.588452  1
  Pd  Pd180  1  0.466036  0.484176  0.561239  1
  Pd  Pd181  1  0.442395  0.037853  0.598579  1
  Pd  Pd182  1  0.025982  0.359166  0.623570  1
  Pd  Pd183  1  0.641382  0.702582  0.623644  1
  Pd  Pd184  1  0.600555  0.926365  0.632382  1
  Pd  Pd185  1  0.366312  0.259423  0.605390  1
  Pd  Pd186  1  0.957723  0.585005  0.620099  1
  Pd  Pd187  1  0.854098  0.036536  0.621333  1
  Pd  Pd188  1  0.450826  0.361497  0.640936  1
  Pd  Pd189  1  0.210215  0.704633  0.607493  1
  Pd  Pd190  1  0.341542  0.812868  0.641222  1
  Pd  Pd191  1  0.107412  0.147312  0.612936  1
  Pd  Pd192  1  0.706874  0.477795  0.627604  1
  Pd  Pd193  1  0.176051  0.923650  0.611311  1
  Pd  Pd194  1  0.773030  0.248929  0.629007  1
  Pd  Pd195  1  0.387199  0.591467  0.637909  1
  Pd  Pd196  1  0.913579  0.814076  0.623670  1
  Pd  Pd197  1  0.518194  0.139675  0.637042  1
  Pd  Pd198  1  0.277209  0.474068  0.611318  1
  Pd  Pd199  1  0.246600  0.030898  0.646615  1
  Pd  Pd200  1  0.818140  0.346291  0.671193  1
  Pd  Pd201  1  0.506204  0.697030  0.674185  1
  Pd  Pd202  1  0.397011  0.935709  0.680490  1
  Pd  Pd203  1  0.164627  0.240966  0.655199  1
  Pd  Pd204  1  0.757618  0.574821  0.669838  1
  Pd  Pd205  1  0.684126  1.022669  0.671167  1
  Pd  Pd206  1  0.246004  0.348861  0.685737  1
  Pd  Pd207  1  0.988921  0.689099  0.655483  1
  Pd  Pd208  1  0.137124  0.778406  0.685372  1
  Pd  Pd209  1  0.909991  0.133910  0.664441  1
  Pd  Pd210  1  0.499469  0.471020  0.675705  1
  Pd  Pd211  1  -0.004871  0.911421  0.662043  1
  Pd  Pd212  1  0.574084  0.233687  0.675943  1
  Pd  Pd213  1  0.232761  0.598589  0.684989  1
  Pd  Pd214  1  0.706559  0.823912  0.672584  1
  Pd  Pd215  1  0.340696  0.117148  0.683919  1
  Pd  Pd216  1  0.078717  0.462895  0.660459  1
