# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61825589
_cell_length_b   11.22477625
_cell_length_c   49.47571361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.73271228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H32 Pd96'
_cell_volume   3570.40561854
_cell_formula_units_Z   32
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  0.710596  0.888333  0.281293  1
  H  H2  1  0.679109  0.375370  0.296978  1
  H  H3  1  0.303687  0.783857  0.286691  1
  H  H4  1  0.318563  0.220856  0.283414  1
  H  H5  1  0.668057  0.847887  0.331984  1
  H  H6  1  0.719552  0.335929  0.360826  1
  H  H7  1  0.129931  0.551861  0.303520  1
  H  H8  1  0.347420  0.173062  0.332180  1
  H  H9  1  0.748945  0.812978  0.389766  1
  H  H10  1  0.779391  0.292787  0.417253  1
  H  H11  1  0.412863  0.625757  0.416602  1
  H  H12  1  0.383010  0.138151  0.390396  1
  H  H13  1  0.803787  0.774596  0.445599  1
  H  H14  1  0.832597  0.258404  0.473022  1
  H  H15  1  0.467475  0.584497  0.473674  1
  H  H16  1  0.443100  0.103481  0.446056  1
  H  H17  1  0.851187  0.738827  0.501222  1
  H  H18  1  0.878292  0.223614  0.528735  1
  H  H19  1  0.515348  0.550011  0.530390  1
  H  H20  1  0.493424  0.068362  0.501341  1
  H  H21  1  0.900145  0.705337  0.556855  1
  H  H22  1  0.925875  0.188687  0.585085  1
  H  H23  1  0.566725  0.510121  0.587467  1
  H  H24  1  0.540376  0.033626  0.557071  1
  H  H25  1  0.942097  0.656374  0.613947  1
  H  H26  1  0.339123  0.261796  0.667575  1
  H  H27  1  0.630336  0.712219  0.665001  1
  H  H28  1  0.590607  1.003420  0.614692  1
  H  H29  1  0.982581  0.618229  0.675333  1
  H  H30  1  0.999793  0.115925  0.683404  1
  H  H31  1  0.620141  0.462530  0.651086  1
  H  H32  1  0.630209  0.952251  0.676443  1
  Pd  Pd33  1  0.657041  1.001295  0.319301  1
  Pd  Pd34  1  0.617557  0.504440  0.289888  1
  Pd  Pd35  1  0.901371  0.999987  0.279228  1
  Pd  Pd36  1  0.960725  0.413816  0.300529  1
  Pd  Pd37  1  0.665546  0.755762  0.301130  1
  Pd  Pd38  1  0.571265  0.254053  0.278771  1
  Pd  Pd39  1  0.281852  0.634307  0.281784  1
  Pd  Pd40  1  0.300804  0.070123  0.301930  1
  Pd  Pd41  1  0.077666  0.817608  0.281997  1
  Pd  Pd42  1  0.084364  0.225655  0.279960  1
  Pd  Pd43  1  0.478888  0.901022  0.274192  1
  Pd  Pd44  1  0.332320  0.334267  0.316163  1
  Pd  Pd45  1  0.712047  0.949743  0.370628  1
  Pd  Pd46  1  0.678328  0.474829  0.343881  1
  Pd  Pd47  1  0.987781  0.896651  0.332054  1
  Pd  Pd48  1  0.024150  0.378466  0.356573  1
  Pd  Pd49  1  0.687412  0.713673  0.356374  1
  Pd  Pd50  1  0.672341  0.237025  0.330165  1
  Pd  Pd51  1  0.325772  0.563386  0.332221  1
  Pd  Pd52  1  0.354359  0.038701  0.356768  1
  Pd  Pd53  1  0.971340  0.643137  0.317641  1
  Pd  Pd54  1  0.030947  0.146150  0.336898  1
  Pd  Pd55  1  0.341360  0.807123  0.332344  1
  Pd  Pd56  1  0.379349  0.282853  0.368593  1
  Pd  Pd57  1  0.780322  0.912822  0.423715  1
  Pd  Pd58  1  0.752812  0.432660  0.396085  1
  Pd  Pd59  1  0.054984  0.852428  0.385465  1
  Pd  Pd60  1  0.084206  0.333363  0.412144  1
  Pd  Pd61  1  0.751091  0.669019  0.412022  1
  Pd  Pd62  1  0.725854  0.189311  0.384759  1
  Pd  Pd63  1  0.391442  0.520615  0.386488  1
  Pd  Pd64  1  0.416505  1.000492  0.412335  1
  Pd  Pd65  1  0.048350  0.622583  0.369754  1
  Pd  Pd66  1  0.082112  0.100697  0.393771  1
  Pd  Pd67  1  0.409406  0.765558  0.393174  1
  Pd  Pd68  1  0.444140  0.247540  0.422651  1
  Pd  Pd69  1  0.831525  0.878094  0.478010  1
  Pd  Pd70  1  0.809315  0.396308  0.450174  1
  Pd  Pd71  1  0.107582  0.812784  0.440995  1
  Pd  Pd72  1  0.133082  0.295485  0.468375  1
  Pd  Pd73  1  0.802682  0.630212  0.468498  1
  Pd  Pd74  1  0.780034  0.149430  0.440656  1
  Pd  Pd75  1  0.445769  0.483035  0.441575  1
  Pd  Pd76  1  0.468568  0.964757  0.468294  1
  Pd  Pd77  1  0.117113  0.582884  0.423053  1
  Pd  Pd78  1  0.143471  0.065353  0.449314  1
  Pd  Pd79  1  0.469917  0.730277  0.449030  1
  Pd  Pd80  1  0.497261  0.214169  0.477704  1
  Pd  Pd81  1  0.877274  0.844013  0.533172  1
  Pd  Pd82  1  0.857473  0.362316  0.505244  1
  Pd  Pd83  1  0.154053  0.777217  0.496920  1
  Pd  Pd84  1  0.178544  0.260484  0.524488  1
  Pd  Pd85  1  0.848513  0.595096  0.524779  1
  Pd  Pd86  1  0.827311  0.113087  0.496589  1
  Pd  Pd87  1  0.490671  0.447074  0.498055  1
  Pd  Pd88  1  0.514281  0.930565  0.524233  1
  Pd  Pd89  1  0.169466  0.548081  0.478253  1
  Pd  Pd90  1  0.193174  0.031182  0.504907  1
  Pd  Pd91  1  0.519696  0.695925  0.505296  1
  Pd  Pd92  1  0.543921  0.180134  0.533138  1
  Pd  Pd93  1  0.924477  0.809309  0.588227  1
  Pd  Pd94  1  0.903805  0.327006  0.560739  1
  Pd  Pd95  1  0.202714  0.743954  0.552332  1
  Pd  Pd96  1  0.228741  0.226548  0.579838  1
  Pd  Pd97  1  0.899393  0.560488  0.579999  1
  Pd  Pd98  1  0.874519  0.078416  0.552103  1
  Pd  Pd99  1  0.538570  0.412340  0.554203  1
  Pd  Pd100  1  0.562959  0.897168  0.579589  1
  Pd  Pd101  1  0.215759  0.513726  0.534460  1
  Pd  Pd102  1  0.238319  0.996656  0.561152  1
  Pd  Pd103  1  0.565738  0.660512  0.561814  1
  Pd  Pd104  1  0.592224  0.145003  0.588538  1
  Pd  Pd105  1  0.975209  0.765155  0.641779  1
  Pd  Pd106  1  0.955195  0.290664  0.615723  1
  Pd  Pd107  1  0.257626  0.707963  0.607421  1
  Pd  Pd108  1  0.289977  0.191385  0.634512  1
  Pd  Pd109  1  0.952115  0.520109  0.634177  1
  Pd  Pd110  1  0.928414  0.044918  0.606752  1
  Pd  Pd111  1  0.594974  0.375811  0.610341  1
  Pd  Pd112  1  0.625919  0.864430  0.633744  1
  Pd  Pd113  1  0.264926  0.476060  0.591049  1
  Pd  Pd114  1  0.289719  0.958751  0.617204  1
  Pd  Pd115  1  0.616127  0.622661  0.618387  1
  Pd  Pd116  1  0.648440  0.111240  0.642832  1
  Pd  Pd117  1  0.056450  0.741778  0.691482  1
  Pd  Pd118  1  1.004588  0.257321  0.669380  1
  Pd  Pd119  1  0.350412  0.679423  0.661028  1
  Pd  Pd120  1  0.278942  0.147697  0.688394  1
  Pd  Pd121  1  0.048339  0.497392  0.684039  1
  Pd  Pd122  1  0.997249  0.995785  0.659483  1
  Pd  Pd123  1  0.609236  0.327136  0.668002  1
  Pd  Pd124  1  0.694437  0.823170  0.686793  1
  Pd  Pd125  1  0.320588  0.436969  0.647129  1
  Pd  Pd126  1  0.367583  0.930445  0.672061  1
  Pd  Pd127  1  0.686685  0.577717  0.674333  1
  Pd  Pd128  1  0.747697  0.069850  0.693491  1
