# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05740503
_cell_length_b   14.65842112
_cell_length_c   62.99171376
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.00943493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H48 Pd144'
_cell_volume   5562.61614159
_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  0.934613  0.483129  0.191899  1
  H  H2  1  0.389439  0.373980  0.193100  1
  H  H3  1  0.934613  0.983129  0.191899  1
  H  H4  1  0.389439  0.873980  0.193100  1
  H  H5  1  0.568509  0.190842  0.200511  1
  H  H6  1  0.348952  0.108011  0.229871  1
  H  H7  1  0.568509  0.690842  0.200511  1
  H  H8  1  0.348952  0.608011  0.229871  1
  H  H9  1  0.831429  0.194493  0.291603  1
  H  H10  1  0.788463  0.340895  0.202334  1
  H  H11  1  0.831429  0.694493  0.291603  1
  H  H12  1  0.788463  0.840895  0.202334  1
  H  H13  1  0.166614  0.048738  0.270247  1
  H  H14  1  0.929134  0.992201  0.306539  1
  H  H15  1  0.166614  0.548738  0.270247  1
  H  H16  1  0.929134  0.492201  0.306539  1
  H  H17  1  0.364256  0.089451  0.364768  1
  H  H18  1  0.597345  0.141022  0.328371  1
  H  H19  1  0.364256  0.589451  0.364768  1
  H  H20  1  0.597345  0.641022  0.328371  1
  H  H21  1  0.690384  0.939869  0.342800  1
  H  H22  1  0.452271  0.888062  0.378895  1
  H  H23  1  0.690384  0.439869  0.342800  1
  H  H24  1  0.452271  0.388062  0.378895  1
  H  H25  1  0.887804  0.986590  0.436846  1
  H  H26  1  1.125917  0.038396  0.400750  1
  H  H27  1  0.887804  0.486590  0.436846  1
  H  H28  1  1.125917  0.538396  0.400750  1
  H  H29  1  0.213932  0.837007  0.414878  1
  H  H30  1  0.980843  0.785436  0.451275  1
  H  H31  1  0.213932  0.337007  0.414878  1
  H  H32  1  0.980843  0.285436  0.451275  1
  H  H33  1  0.411574  0.877721  0.509399  1
  H  H34  1  0.649054  0.934257  0.473107  1
  H  H35  1  0.411574  0.377721  0.509399  1
  H  H36  1  0.649054  0.434257  0.473107  1
  H  H37  1  0.746759  0.731965  0.488043  1
  H  H38  1  0.789725  0.585563  0.577312  1
  H  H39  1  0.746759  0.231965  0.488043  1
  H  H40  1  0.789725  0.085563  0.577312  1
  H  H41  1  1.009679  0.735616  0.579135  1
  H  H42  1  0.229236  0.818447  0.549775  1
  H  H43  1  1.009679  0.235616  0.579135  1
  H  H44  1  0.229236  0.318447  0.549775  1
  H  H45  1  0.643575  0.443329  0.587747  1
  H  H46  1  0.188750  0.552478  0.586545  1
  H  H47  1  0.643575  0.943329  0.587747  1
  H  H48  1  0.188750  0.052478  0.586545  1
  Pd  Pd49  1  0.189336  0.448447  0.187741  1
  Pd  Pd50  1  0.971168  0.378665  0.220435  1
  Pd  Pd51  1  0.189336  0.948447  0.187741  1
  Pd  Pd52  1  0.971168  0.878665  0.220435  1
  Pd  Pd53  1  0.347537  0.264046  0.192848  1
  Pd  Pd54  1  1.116546  0.198279  0.227521  1
  Pd  Pd55  1  0.347537  0.764046  0.192848  1
  Pd  Pd56  1  1.116546  0.698279  0.227521  1
  Pd  Pd57  1  0.490997  0.385072  0.219803  1
  Pd  Pd58  1  0.716061  0.428364  0.186014  1
  Pd  Pd59  1  0.490997  0.885072  0.219803  1
  Pd  Pd60  1  0.716061  0.928364  0.186014  1
  Pd  Pd61  1  0.643895  0.020090  0.243798  1
  Pd  Pd62  1  0.880881  0.067400  0.208841  1
  Pd  Pd63  1  0.643895  0.520090  0.243798  1
  Pd  Pd64  1  0.880881  0.567400  0.208841  1
  Pd  Pd65  1  0.581004  0.204001  0.231126  1
  Pd  Pd66  1  0.806261  0.238555  0.194256  1
  Pd  Pd67  1  0.581004  0.704001  0.231126  1
  Pd  Pd68  1  0.806261  0.738555  0.194256  1
  Pd  Pd69  1  0.424870  0.081664  0.204153  1
  Pd  Pd70  1  0.187920  0.013947  0.239666  1
  Pd  Pd71  1  0.424870  0.581664  0.204153  1
  Pd  Pd72  1  0.187920  0.513947  0.239666  1
  Pd  Pd73  1  0.751637  0.335088  0.254931  1
  Pd  Pd74  1  0.553687  0.271936  0.287338  1
  Pd  Pd75  1  0.751637  0.835088  0.254931  1
  Pd  Pd76  1  0.553687  0.771936  0.287338  1
  Pd  Pd77  1  0.881583  0.148144  0.262939  1
  Pd  Pd78  1  0.650793  0.089695  0.297991  1
  Pd  Pd79  1  0.881583  0.648144  0.262939  1
  Pd  Pd80  1  0.650793  0.589695  0.297991  1
  Pd  Pd81  1  1.036219  0.277468  0.288838  1
  Pd  Pd82  1  0.257132  0.328575  0.253941  1
  Pd  Pd83  1  1.036219  0.777468  0.288838  1
  Pd  Pd84  1  0.257132  0.828575  0.253941  1
  Pd  Pd85  1  0.175288  0.908350  0.314962  1
  Pd  Pd86  1  0.412921  0.959073  0.278940  1
  Pd  Pd87  1  0.175288  0.408350  0.314962  1
  Pd  Pd88  1  0.412921  0.459073  0.278940  1
  Pd  Pd89  1  1.111463  0.093211  0.301412  1
  Pd  Pd90  1  0.340091  0.144159  0.265609  1
  Pd  Pd91  1  1.111463  0.593211  0.301412  1
  Pd  Pd92  1  0.340091  0.644159  0.265609  1
  Pd  Pd93  1  0.957716  0.962780  0.275632  1
  Pd  Pd94  1  0.714992  0.906169  0.311430  1
  Pd  Pd95  1  0.957716  0.462780  0.275632  1
  Pd  Pd96  1  0.714992  0.406169  0.311430  1
  Pd  Pd97  1  0.338332  0.222993  0.321868  1
  Pd  Pd98  1  1.112994  0.170497  0.356896  1
  Pd  Pd99  1  0.338331  0.722993  0.321868  1
  Pd  Pd100  1  1.112994  0.670497  0.356896  1
  Pd  Pd101  1  0.417789  0.038153  0.334013  1
  Pd  Pd102  1  0.179633  0.987059  0.370075  1
  Pd  Pd103  1  0.417789  0.538153  0.334013  1
  Pd  Pd104  1  0.179633  0.487059  0.370075  1
  Pd  Pd105  1  0.578216  0.172971  0.359668  1
  Pd  Pd106  1  0.810400  0.223390  0.323869  1
  Pd  Pd107  1  0.578216  0.672971  0.359668  1
  Pd  Pd108  1  0.810400  0.723390  0.323869  1
  Pd  Pd109  1  0.698677  0.805766  0.387105  1
  Pd  Pd110  1  0.935270  0.856332  0.351158  1
  Pd  Pd111  1  0.698677  0.305766  0.387105  1
  Pd  Pd112  1  0.935270  0.356332  0.351158  1
  Pd  Pd113  1  0.635921  0.990358  0.373581  1
  Pd  Pd114  1  0.874637  0.039435  0.337294  1
  Pd  Pd115  1  0.635921  0.490358  0.373581  1
  Pd  Pd116  1  0.874637  0.539435  0.337294  1
  Pd  Pd117  1  0.476314  0.855680  0.347940  1
  Pd  Pd118  1  0.237225  0.804056  0.383930  1
  Pd  Pd119  1  0.476313  0.355680  0.347940  1
  Pd  Pd120  1  0.237225  0.304056  0.383930  1
  Pd  Pd121  1  0.879511  0.120692  0.392540  1
  Pd  Pd122  1  0.642918  0.070126  0.428488  1
  Pd  Pd123  1  0.879511  0.620692  0.392540  1
  Pd  Pd124  1  0.642918  0.570126  0.428488  1
  Pd  Pd125  1  0.942267  0.936100  0.406065  1
  Pd  Pd126  1  0.703551  0.887023  0.442352  1
  Pd  Pd127  1  0.942267  0.436100  0.406065  1
  Pd  Pd128  1  0.703551  0.387023  0.442352  1
  Pd  Pd129  1  1.101875  0.070778  0.431706  1
  Pd  Pd130  1  0.340963  0.122402  0.395716  1
  Pd  Pd131  1  1.101875  0.570778  0.431706  1
  Pd  Pd132  1  0.340963  0.622402  0.395716  1
  Pd  Pd133  1  0.239857  0.703465  0.457777  1
  Pd  Pd134  1  0.465194  0.755961  0.422750  1
  Pd  Pd135  1  0.239857  0.203465  0.457777  1
  Pd  Pd136  1  0.465194  0.255961  0.422750  1
  Pd  Pd137  1  0.160399  0.888305  0.445633  1
  Pd  Pd138  1  0.398555  0.939399  0.409571  1
  Pd  Pd139  1  0.160399  0.388305  0.445633  1
  Pd  Pd140  1  0.398555  0.439399  0.409571  1
  Pd  Pd141  1  0.999972  0.753487  0.419978  1
  Pd  Pd142  1  0.767788  0.703068  0.455776  1
  Pd  Pd143  1  0.999972  0.253487  0.419978  1
  Pd  Pd144  1  0.767788  0.203068  0.455776  1
  Pd  Pd145  1  0.402900  0.018108  0.464684  1
  Pd  Pd146  1  0.165267  0.967385  0.500706  1
  Pd  Pd147  1  0.402900  0.518108  0.464684  1
  Pd  Pd148  1  0.165267  0.467385  0.500706  1
  Pd  Pd149  1  0.466725  0.833247  0.478234  1
  Pd  Pd150  1  0.238097  0.782299  0.514037  1
  Pd  Pd151  1  0.466725  0.333247  0.478234  1
  Pd  Pd152  1  0.238097  0.282299  0.514037  1
  Pd  Pd153  1  0.620472  0.963678  0.504013  1
  Pd  Pd154  1  0.863196  0.020289  0.468216  1
  Pd  Pd155  1  0.620472  0.463678  0.504013  1
  Pd  Pd156  1  0.863196  0.520289  0.468216  1
  Pd  Pd157  1  0.826551  0.591370  0.524715  1
  Pd  Pd158  1  1.024501  0.654522  0.492307  1
  Pd  Pd159  1  0.826551  0.091370  0.524715  1
  Pd  Pd160  1  1.024501  0.154522  0.492307  1
  Pd  Pd161  1  0.696605  0.778314  0.516707  1
  Pd  Pd162  1  0.927395  0.836763  0.481655  1
  Pd  Pd163  1  0.696605  0.278314  0.516707  1
  Pd  Pd164  1  0.927395  0.336763  0.481655  1
  Pd  Pd165  1  0.541969  0.648991  0.490808  1
  Pd  Pd166  1  0.321056  0.597884  0.525704  1
  Pd  Pd167  1  0.541969  0.148991  0.490808  1
  Pd  Pd168  1  0.321056  0.097884  0.525704  1
  Pd  Pd169  1  0.934293  0.906368  0.535848  1
  Pd  Pd170  1  0.697307  0.859059  0.570805  1
  Pd  Pd171  1  0.934293  0.406368  0.535848  1
  Pd  Pd172  1  0.697307  0.359059  0.570805  1
  Pd  Pd173  1  0.997184  0.722457  0.548520  1
  Pd  Pd174  1  0.771927  0.687903  0.585390  1
  Pd  Pd175  1  0.997184  0.222457  0.548520  1
  Pd  Pd176  1  0.771927  0.187903  0.585390  1
  Pd  Pd177  1  0.153318  0.844794  0.575492  1
  Pd  Pd178  1  0.390268  0.912511  0.539979  1
  Pd  Pd179  1  0.153318  0.344794  0.575492  1
  Pd  Pd180  1  0.390268  0.412511  0.539979  1
  Pd  Pd181  1  0.388852  0.478011  0.591904  1
  Pd  Pd182  1  0.607020  0.547793  0.559211  1
  Pd  Pd183  1  0.388852  0.978011  0.591904  1
  Pd  Pd184  1  0.607020  0.047793  0.559211  1
  Pd  Pd185  1  0.230651  0.662412  0.586797  1
  Pd  Pd186  1  0.461642  0.728179  0.552125  1
  Pd  Pd187  1  0.230651  0.162412  0.586797  1
  Pd  Pd188  1  0.461642  0.228179  0.552125  1
  Pd  Pd189  1  1.087191  0.541386  0.559843  1
  Pd  Pd190  1  0.862127  0.498094  0.593632  1
  Pd  Pd191  1  1.087191  0.041386  0.559843  1
  Pd  Pd192  1  0.862127  0.998094  0.593632  1
