# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01105453
_cell_length_b   19.25628069
_cell_length_c   50.70062803
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.25503334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H54 Pd162'
_cell_volume   5867.21790615
_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  0.029002  0.373905  0.300961  1
  H  H2  1  0.691575  0.079982  0.289614  1
  H  H3  1  0.257222  0.699138  0.271495  1
  H  H4  1  0.489616  0.595639  0.274917  1
  H  H5  1  0.250189  0.224820  0.289684  1
  H  H6  1  0.877134  0.959665  0.277137  1
  H  H7  1  0.333108  0.487494  0.299728  1
  H  H8  1  0.910163  0.077907  0.346825  1
  H  H9  1  0.636961  0.792848  0.283679  1
  H  H10  1  0.759186  0.485055  0.287254  1
  H  H11  1  0.575592  0.339318  0.296357  1
  H  H12  1  0.061563  0.841787  0.284949  1
  H  H13  1  0.435483  0.413990  0.394874  1
  H  H14  1  0.109962  0.086443  0.398545  1
  H  H15  1  0.558014  0.745870  0.348508  1
  H  H16  1  0.870426  0.625104  0.366105  1
  H  H17  1  0.725977  0.297539  0.411660  1
  H  H18  1  0.190614  0.958078  0.365930  1
  H  H19  1  0.622870  0.419795  0.447051  1
  H  H20  1  0.295459  0.089888  0.449222  1
  H  H21  1  0.757318  0.749530  0.400732  1
  H  H22  1  0.051249  0.631432  0.418043  1
  H  H23  1  0.913147  0.300817  0.463814  1
  H  H24  1  0.380372  0.962889  0.417101  1
  H  H25  1  0.804988  0.423760  0.498431  1
  H  H26  1  0.474692  0.092425  0.500003  1
  H  H27  1  0.943477  0.754634  0.452371  1
  H  H28  1  0.233720  0.634929  0.469408  1
  H  H29  1  0.095231  0.304056  0.515469  1
  H  H30  1  0.564017  0.966265  0.467837  1
  H  H31  1  0.987459  0.427257  0.549797  1
  H  H32  1  0.658336  0.095801  0.550739  1
  H  H33  1  0.125561  0.757873  0.504025  1
  H  H34  1  0.415839  0.638895  0.520789  1
  H  H35  1  0.281390  0.309159  0.567108  1
  H  H36  1  0.743249  0.968802  0.518617  1
  H  H37  1  0.168282  0.433586  0.601735  1
  H  H38  1  0.848094  0.100612  0.601910  1
  H  H39  1  0.312732  0.761151  0.556180  1
  H  H40  1  0.603226  0.644700  0.572966  1
  H  H41  1  0.480694  0.312819  0.619332  1
  H  H42  1  0.928746  0.972246  0.569295  1
  H  H43  1  0.279522  0.573635  0.680586  1
  H  H44  1  0.977145  0.216903  0.682890  1
  H  H45  1  0.463117  0.719372  0.671482  1
  H  H46  1  0.705600  0.571196  0.668111  1
  H  H47  1  0.401748  0.265842  0.684160  1
  H  H48  1  0.128545  0.980782  0.621015  1
  H  H49  1  0.549092  0.463051  0.692923  1
  H  H50  1  0.161575  0.099025  0.690702  1
  H  H51  1  0.788519  0.833870  0.678156  1
  H  H52  1  1.009706  0.684785  0.666879  1
  H  H53  1  0.781486  0.359552  0.696344  1
  H  H54  1  0.347133  0.978708  0.678226  1
  Pd  Pd55  1  0.781591  0.392719  0.285113  1
  Pd  Pd56  1  0.424802  0.059485  0.284881  1
  Pd  Pd57  1  0.060205  0.746073  0.282786  1
  Pd  Pd58  1  0.060942  0.504245  0.293920  1
  Pd  Pd59  1  0.728955  0.166803  0.294537  1
  Pd  Pd60  1  0.410779  0.838141  0.297972  1
  Pd  Pd61  1  0.351447  0.395466  0.307816  1
  Pd  Pd62  1  0.843471  0.041349  0.268445  1
  Pd  Pd63  1  0.512628  0.725578  0.269205  1
  Pd  Pd64  1  0.772530  0.615138  0.281700  1
  Pd  Pd65  1  0.460724  0.273969  0.280913  1
  Pd  Pd66  1  0.143174  0.941398  0.282022  1
  Pd  Pd67  1  0.497730  0.505407  0.273519  1
  Pd  Pd68  1  0.136712  0.160706  0.275246  1
  Pd  Pd69  1  0.801613  0.854158  0.270488  1
  Pd  Pd70  1  0.216460  0.618925  0.264370  1
  Pd  Pd71  1  0.036267  0.283003  0.299270  1
  Pd  Pd72  1  0.696346  0.954204  0.303929  1
  Pd  Pd73  1  0.953898  0.400885  0.334566  1
  Pd  Pd74  1  0.616214  0.072876  0.333527  1
  Pd  Pd75  1  0.267634  0.739067  0.334637  1
  Pd  Pd76  1  0.259112  0.511185  0.344074  1
  Pd  Pd77  1  0.935863  0.181634  0.343574  1
  Pd  Pd78  1  0.598643  0.844997  0.348622  1
  Pd  Pd79  1  0.549866  0.405099  0.360079  1
  Pd  Pd80  1  0.039768  0.061971  0.315172  1
  Pd  Pd81  1  0.703771  0.732062  0.317211  1
  Pd  Pd82  1  0.974971  0.621420  0.330927  1
  Pd  Pd83  1  0.653510  0.290622  0.328319  1
  Pd  Pd84  1  0.316804  0.956135  0.332715  1
  Pd  Pd85  1  0.668033  0.508071  0.321666  1
  Pd  Pd86  1  0.334166  0.178370  0.320068  1
  Pd  Pd87  1  0.986096  0.849102  0.319874  1
  Pd  Pd88  1  0.386699  0.618346  0.309556  1
  Pd  Pd89  1  0.231853  0.295492  0.348561  1
  Pd  Pd90  1  0.889848  0.964380  0.352427  1
  Pd  Pd91  1  0.142470  0.411896  0.383452  1
  Pd  Pd92  1  0.806190  0.083565  0.382692  1
  Pd  Pd93  1  0.456675  0.746244  0.385178  1
  Pd  Pd94  1  0.453195  0.517422  0.394807  1
  Pd  Pd95  1  0.135548  0.188955  0.394434  1
  Pd  Pd96  1  0.788256  0.849130  0.399555  1
  Pd  Pd97  1  0.743638  0.411410  0.410263  1
  Pd  Pd98  1  0.233777  0.073693  0.363963  1
  Pd  Pd99  1  0.889897  0.736370  0.366761  1
  Pd  Pd100  1  0.165661  0.626748  0.381436  1
  Pd  Pd101  1  0.849793  0.297478  0.377982  1
  Pd  Pd102  1  0.505463  0.960636  0.382953  1
  Pd  Pd103  1  0.857188  0.520220  0.370088  1
  Pd  Pd104  1  0.526141  0.191490  0.366875  1
  Pd  Pd105  1  0.172065  0.856987  0.369129  1
  Pd  Pd106  1  0.572859  0.628286  0.356469  1
  Pd  Pd107  1  0.423581  0.305722  0.398226  1
  Pd  Pd108  1  0.074882  0.971196  0.401649  1
  Pd  Pd109  1  0.326049  0.418762  0.433000  1
  Pd  Pd110  1  0.988347  0.088840  0.432816  1
  Pd  Pd111  1  0.640475  0.751146  0.436384  1
  Pd  Pd112  1  0.639633  0.522405  0.446140  1
  Pd  Pd113  1  0.322841  0.190569  0.446232  1
  Pd  Pd114  1  0.971886  0.853249  0.450628  1
  Pd  Pd115  1  0.929238  0.415530  0.461629  1
  Pd  Pd116  1  0.420658  0.078407  0.414193  1
  Pd  Pd117  1  0.073459  0.741102  0.417213  1
  Pd  Pd118  1  0.350822  0.631817  0.432803  1
  Pd  Pd119  1  0.034824  0.301887  0.428446  1
  Pd  Pd120  1  0.689868  0.964585  0.433456  1
  Pd  Pd121  1  0.039065  0.527443  0.419757  1
  Pd  Pd122  1  0.707035  0.199467  0.415813  1
  Pd  Pd123  1  0.352267  0.861648  0.419580  1
  Pd  Pd124  1  0.750257  0.634331  0.405207  1
  Pd  Pd125  1  0.604435  0.310399  0.448738  1
  Pd  Pd126  1  0.255444  0.975352  0.451961  1
  Pd  Pd127  1  0.505835  0.422938  0.483874  1
  Pd  Pd128  1  0.167903  0.091341  0.483577  1
  Pd  Pd129  1  0.822288  0.754892  0.487659  1
  Pd  Pd130  1  0.820316  0.526302  0.497340  1
  Pd  Pd131  1  0.505216  0.192973  0.497513  1
  Pd  Pd132  1  0.152577  0.855985  0.501588  1
  Pd  Pd133  1  0.109573  0.419110  0.512510  1
  Pd  Pd134  1  0.602848  0.080440  0.465119  1
  Pd  Pd135  1  0.254627  0.744971  0.468090  1
  Pd  Pd136  1  0.532873  0.635752  0.483966  1
  Pd  Pd137  1  0.216420  0.303798  0.480181  1
  Pd  Pd138  1  0.870806  0.967349  0.484263  1
  Pd  Pd139  1  0.218392  0.532387  0.470499  1
  Pd  Pd140  1  0.886132  0.202705  0.466252  1
  Pd  Pd141  1  0.533493  0.865717  0.470326  1
  Pd  Pd142  1  0.929135  0.639580  0.455329  1
  Pd  Pd143  1  0.784082  0.313719  0.499750  1
  Pd  Pd144  1  0.435860  0.978250  0.502721  1
  Pd  Pd145  1  0.687886  0.426873  0.535037  1
  Pd  Pd146  1  0.348840  0.094104  0.534384  1
  Pd  Pd147  1  1.003884  0.756803  0.539393  1
  Pd  Pd148  1  0.999643  0.531247  0.548082  1
  Pd  Pd149  1  0.686441  0.197042  0.548259  1
  Pd  Pd150  1  0.331673  0.859223  0.552026  1
  Pd  Pd151  1  0.288451  0.424359  0.562632  1
  Pd  Pd152  1  0.783264  0.083337  0.515878  1
  Pd  Pd153  1  0.434274  0.748291  0.519102  1
  Pd  Pd154  1  0.712659  0.639928  0.534840  1
  Pd  Pd155  1  0.398233  0.307544  0.531456  1
  Pd  Pd156  1  0.050361  0.969850  0.535024  1
  Pd  Pd157  1  0.399075  0.536285  0.521700  1
  Pd  Pd158  1  0.066822  0.205441  0.517211  1
  Pd  Pd159  1  0.715867  0.868121  0.521608  1
  Pd  Pd160  1  0.109470  0.643160  0.506211  1
  Pd  Pd161  1  0.965249  0.317588  0.550626  1
  Pd  Pd162  1  0.618050  0.980283  0.553646  1
  Pd  Pd163  1  0.873047  0.431942  0.586404  1
  Pd  Pd164  1  0.533246  0.098054  0.584887  1
  Pd  Pd165  1  0.188916  0.761212  0.589857  1
  Pd  Pd166  1  0.181520  0.538470  0.597752  1
  Pd  Pd167  1  0.866643  0.201703  0.598711  1
  Pd  Pd168  1  0.512568  0.867200  0.600964  1
  Pd  Pd169  1  0.465849  0.430404  0.611370  1
  Pd  Pd170  1  0.963826  0.087494  0.566190  1
  Pd  Pd171  1  0.615127  0.752968  0.569613  1
  Pd  Pd172  1  0.896238  0.646793  0.584388  1
  Pd  Pd173  1  0.582033  0.312446  0.582662  1
  Pd  Pd174  1  0.232519  0.975125  0.585148  1
  Pd  Pd175  1  0.585514  0.541268  0.573033  1
  Pd  Pd176  1  0.250452  0.209560  0.568285  1
  Pd  Pd177  1  0.903160  0.869735  0.573406  1
  Pd  Pd178  1  0.295070  0.647279  0.557576  1
  Pd  Pd179  1  0.148811  0.322320  0.601078  1
  Pd  Pd180  1  0.804931  0.984997  0.603876  1
  Pd  Pd181  1  0.063738  0.437270  0.636912  1
  Pd  Pd182  1  0.721904  0.102555  0.635125  1
  Pd  Pd183  1  0.385198  0.768067  0.639521  1
  Pd  Pd184  1  0.370675  0.550619  0.646174  1
  Pd  Pd185  1  0.052613  0.209588  0.647965  1
  Pd  Pd186  1  0.704542  0.880319  0.647772  1
  Pd  Pd187  1  0.652009  0.440343  0.658284  1
  Pd  Pd188  1  0.148860  0.094309  0.615412  1
  Pd  Pd189  1  0.806856  0.763197  0.619279  1
  Pd  Pd190  1  0.084810  0.657804  0.633273  1
  Pd  Pd191  1  0.771074  0.319623  0.633203  1
  Pd  Pd192  1  0.422494  0.985814  0.634312  1
  Pd  Pd193  1  0.779597  0.547504  0.623766  1
  Pd  Pd194  1  0.440065  0.213693  0.619217  1
  Pd  Pd195  1  0.102845  0.877055  0.624266  1
  Pd  Pd196  1  0.488843  0.653591  0.607760  1
  Pd  Pd197  1  0.334938  0.326628  0.650628  1
  Pd  Pd198  1  0.998940  0.996719  0.652668  1
  Pd  Pd199  1  0.266179  0.443552  0.686139  1
  Pd  Pd200  1  0.895535  0.117292  0.685817  1
  Pd  Pd201  1  0.577984  0.784721  0.686926  1
  Pd  Pd202  1  0.540979  0.553283  0.694320  1
  Pd  Pd203  1  0.237095  0.204532  0.697351  1
  Pd  Pd204  1  0.901997  0.897984  0.692594  1
  Pd  Pd205  1  0.822248  0.439765  0.703470  1
  Pd  Pd206  1  0.342362  0.104486  0.663911  1
  Pd  Pd207  1  1.002441  0.775687  0.668569  1
  Pd  Pd208  1  0.257118  0.665971  0.682727  1
  Pd  Pd209  1  0.978504  0.312617  0.685054  1
  Pd  Pd210  1  0.613907  0.999205  0.682959  1
  Pd  Pd211  1  0.977767  0.554445  0.673919  1
  Pd  Pd212  1  0.627929  0.220549  0.669867  1
  Pd  Pd213  1  0.309753  0.891886  0.673303  1
  Pd  Pd214  1  0.687261  0.663223  0.660023  1
  Pd  Pd215  1  0.526080  0.333112  0.698635  1
  Pd  Pd216  1  0.195237  0.017341  0.699395  1
