# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.78881513
_cell_length_b   6.65553633
_cell_length_c   53.23993461
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.28968534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H54 Pd162'
_cell_volume   5870.93234195
_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  0.857743  0.799575  0.268812  1
  H  H2  1  0.188551  0.759790  0.258208  1
  H  H3  1  0.518665  0.782542  0.266976  1
  H  H4  1  0.974600  0.128413  0.259943  1
  H  H5  1  0.156865  0.341948  0.255095  1
  H  H6  1  0.573954  0.430153  0.264973  1
  H  H7  1  0.738286  0.463196  0.278039  1
  H  H8  1  0.142676  0.644202  0.341824  1
  H  H9  1  0.419446  0.435804  0.270338  1
  H  H10  1  0.936720  1.044683  0.316330  1
  H  H11  1  0.296890  0.103597  0.272868  1
  H  H12  1  0.623078  0.112046  0.288962  1
  H  H13  1  0.782592  0.558217  0.376526  1
  H  H14  1  0.107107  0.520114  0.393001  1
  H  H15  1  0.465243  0.619702  0.355988  1
  H  H16  1  0.901934  0.940273  0.368355  1
  H  H17  1  0.261559  1.022705  0.330444  1
  H  H18  1  0.585158  0.999581  0.345090  1
  H  H19  1  0.749788  0.428823  0.427865  1
  H  H20  1  0.074739  0.392541  0.443535  1
  H  H21  1  0.431360  0.489289  0.407185  1
  H  H22  1  0.870051  0.813437  0.418753  1
  H  H23  1  0.227355  0.909689  0.382590  1
  H  H24  1  0.551901  0.873291  0.397294  1
  H  H25  1  0.717706  0.301181  0.478796  1
  H  H26  1  0.042565  0.263879  0.493949  1
  H  H27  1  0.398938  0.360968  0.457989  1
  H  H28  1  0.838266  0.686022  0.469295  1
  H  H29  1  0.194638  0.783111  0.433335  1
  H  H30  1  0.519498  0.745809  0.448488  1
  H  H31  1  0.685302  0.173699  0.529989  1
  H  H32  1  0.009848  0.137301  0.544693  1
  H  H33  1  0.367153  0.233553  0.508531  1
  H  H34  1  0.805843  0.557701  0.520098  1
  H  H35  1  0.162465  0.654449  0.483749  1
  H  H36  1  0.487416  0.618166  0.499419  1
  H  H37  1  0.652046  1.047409  0.582193  1
  H  H38  1  0.975644  1.024285  0.596840  1
  H  H39  1  0.335270  0.106717  0.558928  1
  H  H40  1  0.771960  0.427288  0.571295  1
  H  H41  1  0.130096  0.526876  0.534282  1
  H  H42  1  0.454612  0.488772  0.550758  1
  H  H43  1  0.614125  0.934944  0.638321  1
  H  H44  1  0.940314  0.943393  0.654416  1
  H  H45  1  0.300483  1.002307  0.610954  1
  H  H46  1  0.817758  0.611186  0.656946  1
  H  H47  1  0.094527  0.402787  0.585459  1
  H  H48  1  0.498918  0.583793  0.649245  1
  H  H49  1  0.663250  0.616837  0.662310  1
  H  H50  1  0.080338  0.705042  0.672189  1
  H  H51  1  0.262604  0.918577  0.667340  1
  H  H52  1  0.718539  0.264448  0.660308  1
  H  H53  1  0.048652  0.287200  0.669075  1
  H  H54  1  0.379461  0.247415  0.658471  1
  Pd  Pd55  1  0.788023  0.885473  0.254646  1
  Pd  Pd56  1  0.107088  0.835103  0.267686  1
  Pd  Pd57  1  0.433551  0.811056  0.280848  1
  Pd  Pd58  1  0.835016  0.529720  0.266755  1
  Pd  Pd59  1  0.177444  0.561149  0.242717  1
  Pd  Pd60  1  0.502863  0.554186  0.253832  1
  Pd  Pd61  1  0.951593  0.862561  0.257365  1
  Pd  Pd62  1  0.275347  0.830408  0.272018  1
  Pd  Pd63  1  0.602186  0.824657  0.285020  1
  Pd  Pd64  1  0.065641  0.217242  0.249171  1
  Pd  Pd65  1  0.389444  0.194018  0.262149  1
  Pd  Pd66  1  0.718763  0.185403  0.275219  1
  Pd  Pd67  1  0.993871  0.479297  0.278916  1
  Pd  Pd68  1  0.317092  0.454988  0.288663  1
  Pd  Pd69  1  0.668612  0.532985  0.259761  1
  Pd  Pd70  1  0.906299  0.228255  0.247355  1
  Pd  Pd71  1  0.225942  0.186544  0.255661  1
  Pd  Pd72  1  0.553704  0.171643  0.267995  1
  Pd  Pd73  1  0.751750  0.752531  0.301130  1
  Pd  Pd74  1  0.075701  0.716784  0.317245  1
  Pd  Pd75  1  0.399590  0.689832  0.330580  1
  Pd  Pd76  1  0.798449  0.399666  0.315557  1
  Pd  Pd77  1  0.152128  0.450352  0.288361  1
  Pd  Pd78  1  0.475310  0.432296  0.300386  1
  Pd  Pd79  1  0.916616  0.747040  0.306484  1
  Pd  Pd80  1  0.239458  0.713024  0.322128  1
  Pd  Pd81  1  0.564317  0.694488  0.335560  1
  Pd  Pd82  1  0.030350  0.103009  0.296967  1
  Pd  Pd83  1  0.355415  0.077915  0.310815  1
  Pd  Pd84  1  0.681556  1.050769  0.325140  1
  Pd  Pd85  1  0.954159  0.355112  0.327897  1
  Pd  Pd86  1  0.280161  0.330466  0.340148  1
  Pd  Pd87  1  0.633670  0.407440  0.308126  1
  Pd  Pd88  1  0.868836  0.105269  0.292753  1
  Pd  Pd89  1  0.194149  0.076897  0.304411  1
  Pd  Pd90  1  0.517759  0.054409  0.318666  1
  Pd  Pd91  1  0.716654  0.628067  0.350330  1
  Pd  Pd92  1  0.041657  0.594133  0.366491  1
  Pd  Pd93  1  0.366807  0.566625  0.380401  1
  Pd  Pd94  1  0.765960  0.278078  0.366029  1
  Pd  Pd95  1  0.117410  0.344867  0.335790  1
  Pd  Pd96  1  0.443629  0.324496  0.349167  1
  Pd  Pd97  1  0.881375  0.625269  0.356590  1
  Pd  Pd98  1  0.205228  0.591098  0.371895  1
  Pd  Pd99  1  0.531322  0.566661  0.385763  1
  Pd  Pd100  1  0.997533  0.984431  0.345920  1
  Pd  Pd101  1  0.323324  0.960682  0.359951  1
  Pd  Pd102  1  0.647883  0.923743  0.375341  1
  Pd  Pd103  1  0.920808  0.225560  0.377944  1
  Pd  Pd104  1  0.247073  0.201842  0.391490  1
  Pd  Pd105  1  0.600099  0.276462  0.358612  1
  Pd  Pd106  1  0.834609  0.986296  0.340821  1
  Pd  Pd107  1  0.161206  0.961555  0.354139  1
  Pd  Pd108  1  0.483824  0.927070  0.368791  1
  Pd  Pd109  1  0.685361  0.503878  0.399996  1
  Pd  Pd110  1  0.009537  0.467642  0.416623  1
  Pd  Pd111  1  0.334426  0.437353  0.430875  1
  Pd  Pd112  1  0.733560  0.151440  0.416564  1
  Pd  Pd113  1  0.085968  0.227308  0.384836  1
  Pd  Pd114  1  0.412546  0.204658  0.398422  1
  Pd  Pd115  1  0.849590  0.501124  0.406551  1
  Pd  Pd116  1  0.173369  0.467074  0.422172  1
  Pd  Pd117  1  0.499083  0.438895  0.436448  1
  Pd  Pd118  1  0.965736  0.863500  0.395732  1
  Pd  Pd119  1  0.291414  0.837888  0.409956  1
  Pd  Pd120  1  0.615493  0.796439  0.426110  1
  Pd  Pd121  1  0.888189  0.096289  0.428372  1
  Pd  Pd122  1  0.214153  0.070315  0.442389  1
  Pd  Pd123  1  0.567467  0.149164  0.409249  1
  Pd  Pd124  1  0.801650  0.861025  0.389994  1
  Pd  Pd125  1  0.128020  0.836656  0.404372  1
  Pd  Pd126  1  0.451195  0.799734  0.419537  1
  Pd  Pd127  1  0.653490  0.377471  0.450482  1
  Pd  Pd128  1  0.977330  0.337533  0.467007  1
  Pd  Pd129  1  0.302666  0.309581  0.481257  1
  Pd  Pd130  1  0.701747  1.024956  0.467278  1
  Pd  Pd131  1  0.054615  0.105090  0.434572  1
  Pd  Pd132  1  0.380815  0.078483  0.448485  1
  Pd  Pd133  1  0.817860  0.374795  0.457086  1
  Pd  Pd134  1  0.141363  0.339119  0.472497  1
  Pd  Pd135  1  0.467208  0.311433  0.486981  1
  Pd  Pd136  1  0.934537  0.737408  0.446026  1
  Pd  Pd137  1  0.259874  0.709457  0.460276  1
  Pd  Pd138  1  0.583714  0.669519  0.476802  1
  Pd  Pd139  1  0.856389  0.968507  0.478798  1
  Pd  Pd140  1  0.182588  0.941900  0.492712  1
  Pd  Pd141  1  0.535457  1.022033  0.460005  1
  Pd  Pd142  1  0.769996  0.735557  0.440303  1
  Pd  Pd143  1  0.095841  0.707871  0.454786  1
  Pd  Pd144  1  0.419344  0.672195  0.470197  1
  Pd  Pd145  1  0.621711  0.250551  0.501173  1
  Pd  Pd146  1  0.945790  0.209102  0.517327  1
  Pd  Pd147  1  0.271467  0.183490  0.531551  1
  Pd  Pd148  1  0.669736  0.897826  0.518035  1
  Pd  Pd149  1  0.023051  0.976674  0.484895  1
  Pd  Pd150  1  0.349015  0.950700  0.498912  1
  Pd  Pd151  1  0.786008  0.247256  0.507747  1
  Pd  Pd152  1  0.109184  0.210334  0.522912  1
  Pd  Pd153  1  0.435554  0.185965  0.537290  1
  Pd  Pd154  1  0.902778  0.609636  0.496409  1
  Pd  Pd155  1  0.227667  0.579348  0.510660  1
  Pd  Pd156  1  0.551842  0.543112  0.527288  1
  Pd  Pd157  1  0.824658  0.842332  0.528861  1
  Pd  Pd158  1  0.151236  0.819682  0.542448  1
  Pd  Pd159  1  0.503643  0.895549  0.510720  1
  Pd  Pd160  1  0.738121  0.608095  0.490835  1
  Pd  Pd161  1  0.063834  0.579916  0.505111  1
  Pd  Pd162  1  0.387613  0.545865  0.520732  1
  Pd  Pd163  1  0.589321  0.123246  0.551942  1
  Pd  Pd164  1  0.913879  0.086308  0.567332  1
  Pd  Pd165  1  0.239670  0.062559  0.581363  1
  Pd  Pd166  1  0.637105  0.770528  0.568671  1
  Pd  Pd167  1  0.990130  0.845148  0.535793  1
  Pd  Pd168  1  0.316395  0.821430  0.549339  1
  Pd  Pd169  1  0.753379  0.119920  0.558492  1
  Pd  Pd170  1  0.075997  0.085435  0.573144  1
  Pd  Pd171  1  0.402594  0.060694  0.586462  1
  Pd  Pd172  1  0.870396  0.480365  0.546883  1
  Pd  Pd173  1  0.195547  0.452856  0.560792  1
  Pd  Pd174  1  0.520549  0.418923  0.576954  1
  Pd  Pd175  1  0.793574  0.722494  0.578116  1
  Pd  Pd176  1  0.119794  0.702123  0.591494  1
  Pd  Pd177  1  0.471243  0.768912  0.561255  1
  Pd  Pd178  1  0.705881  0.480328  0.541520  1
  Pd  Pd179  1  0.031976  0.455892  0.555388  1
  Pd  Pd180  1  0.355828  0.421721  0.570693  1
  Pd  Pd181  1  0.555647  0.996221  0.602143  1
  Pd  Pd182  1  0.881788  0.969075  0.616468  1
  Pd  Pd183  1  0.206854  0.943981  0.630316  1
  Pd  Pd184  1  0.603533  0.639550  0.619157  1
  Pd  Pd185  1  0.957042  0.716524  0.587136  1
  Pd  Pd186  1  0.283044  0.691878  0.599386  1
  Pd  Pd187  1  0.719445  0.992581  0.608618  1
  Pd  Pd188  1  0.043054  0.970093  0.622872  1
  Pd  Pd189  1  0.368367  0.941720  0.634531  1
  Pd  Pd190  1  0.837614  0.357158  0.596703  1
  Pd  Pd191  1  0.161502  0.330206  0.610038  1
  Pd  Pd192  1  0.485453  0.294458  0.626153  1
  Pd  Pd193  1  0.761894  0.614693  0.626897  1
  Pd  Pd194  1  0.085076  0.596638  0.638923  1
  Pd  Pd195  1  0.438755  0.647323  0.611727  1
  Pd  Pd196  1  0.672886  0.352501  0.591724  1
  Pd  Pd197  1  0.997745  0.333966  0.605156  1
  Pd  Pd198  1  0.320587  0.299950  0.620799  1
  Pd  Pd199  1  0.518441  0.861586  0.652064  1
  Pd  Pd200  1  0.847760  0.852971  0.665134  1
  Pd  Pd201  1  0.171562  0.829747  0.678113  1
  Pd  Pd202  1  0.568592  0.514005  0.667522  1
  Pd  Pd203  1  0.920112  0.592001  0.638620  1
  Pd  Pd204  1  0.243333  0.567693  0.648368  1
  Pd  Pd205  1  0.683500  0.875347  0.659289  1
  Pd  Pd206  1  0.011261  0.860446  0.671623  1
  Pd  Pd207  1  0.330905  0.818735  0.679928  1
  Pd  Pd208  1  0.803653  0.235934  0.646435  1
  Pd  Pd209  1  0.130116  0.211887  0.659598  1
  Pd  Pd210  1  0.449180  0.161517  0.672638  1
  Pd  Pd211  1  0.734341  0.492803  0.673451  1
  Pd  Pd212  1  0.059760  0.485841  0.684566  1
  Pd  Pd213  1  0.402188  0.517270  0.660528  1
  Pd  Pd214  1  0.635018  0.222333  0.642263  1
  Pd  Pd215  1  0.961856  0.216582  0.655265  1
  Pd  Pd216  1  0.285611  0.184429  0.669918  1
