# generated using pymatgen
data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21401680
_cell_length_b   9.21638501
_cell_length_c   51.35900436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd
_chemical_formula_sum   'H96 Pd96'
_cell_volume   4273.28463107
_cell_formula_units_Z   96
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  1.008625  1.010848  0.291618  1
  H  H2  1  0.508625  0.510848  0.291618  1
  H  H3  1  0.436268  0.938560  0.325728  1
  H  H4  1  0.936268  0.438560  0.325728  1
  H  H5  1  0.854396  0.856828  0.270082  1
  H  H6  1  0.354396  0.356828  0.270082  1
  H  H7  1  0.236021  0.738277  0.281568  1
  H  H8  1  0.736021  0.238277  0.281568  1
  H  H9  1  0.981104  0.718074  0.308732  1
  H  H10  1  0.481104  0.218074  0.308732  1
  H  H11  1  0.523665  0.779900  0.279697  1
  H  H12  1  0.023665  0.279900  0.279697  1
  H  H13  1  0.715802  0.983418  0.308762  1
  H  H14  1  0.215802  0.483418  0.308762  1
  H  H15  1  0.277746  0.025858  0.279696  1
  H  H16  1  0.777746  0.525858  0.279696  1
  H  H17  1  0.842612  0.845014  0.373655  1
  H  H18  1  0.342612  0.345014  0.373655  1
  H  H19  1  0.252784  0.755177  0.408302  1
  H  H20  1  0.752784  0.255177  0.408302  1
  H  H21  1  0.688317  0.690582  0.324537  1
  H  H22  1  0.188317  0.190582  0.324537  1
  H  H23  1  0.092861  0.595243  0.373340  1
  H  H24  1  0.592861  0.095243  0.373340  1
  H  H25  1  0.795470  0.547654  0.391572  1
  H  H26  1  0.295470  0.047654  0.391572  1
  H  H27  1  0.393281  0.643879  0.352775  1
  H  H28  1  0.893281  0.143879  0.352775  1
  H  H29  1  0.545278  0.797848  0.391571  1
  H  H30  1  0.045278  0.297848  0.391571  1
  H  H31  1  0.141616  0.895566  0.352778  1
  H  H32  1  0.641616  0.395566  0.352778  1
  H  H33  1  0.667552  0.669951  0.441342  1
  H  H34  1  0.167552  0.169951  0.441342  1
  H  H35  1  0.084548  0.586960  0.474377  1
  H  H36  1  0.584548  0.086960  0.474377  1
  H  H37  1  0.502767  0.505163  0.408388  1
  H  H38  1  1.002767  1.005163  0.408388  1
  H  H39  1  0.917543  0.419946  0.441357  1
  H  H40  1  0.417543  0.919946  0.441357  1
  H  H41  1  0.625454  0.377863  0.458142  1
  H  H42  1  0.125454  0.877863  0.458142  1
  H  H43  1  0.209499  0.461876  0.424911  1
  H  H44  1  0.709499  0.961876  0.424911  1
  H  H45  1  0.375437  0.627878  0.458142  1
  H  H46  1  0.875437  0.127878  0.458142  1
  H  H47  1  0.959474  0.711903  0.424911  1
  H  H48  1  0.459474  0.211903  0.424911  1
  H  H49  1  0.500564  0.503001  0.507533  1
  H  H50  1  1.000564  1.003001  0.507533  1
  H  H51  1  0.915395  0.417845  0.541093  1
  H  H52  1  0.415395  0.917845  0.541093  1
  H  H53  1  0.334654  0.337060  0.474329  1
  H  H54  1  0.834654  0.837060  0.474329  1
  H  H55  1  0.750702  0.253136  0.507600  1
  H  H56  1  0.250702  0.753136  0.507600  1
  H  H57  1  0.458030  0.210172  0.524135  1
  H  H58  1  0.958030  0.710172  0.524135  1
  H  H59  1  0.042546  0.294856  0.490977  1
  H  H60  1  0.542546  0.794856  0.490977  1
  H  H61  1  0.207738  0.460467  0.524135  1
  H  H62  1  0.707738  0.960467  0.524135  1
  H  H63  1  0.792429  0.544967  0.490976  1
  H  H64  1  0.292429  0.044967  0.490976  1
  H  H65  1  0.318296  0.320713  0.579868  1
  H  H66  1  0.818296  0.820713  0.579868  1
  H  H67  1  0.737464  0.239837  0.619125  1
  H  H68  1  0.237464  0.739837  0.619125  1
  H  H69  1  0.164814  0.167261  0.541077  1
  H  H70  1  0.664814  0.667261  0.541077  1
  H  H71  1  0.568651  0.071035  0.582146  1
  H  H72  1  0.068651  0.571035  0.582146  1
  H  H73  1  0.275786  0.029033  0.602791  1
  H  H74  1  0.775786  0.529033  0.602791  1
  H  H75  1  0.867817  0.120423  0.558926  1
  H  H76  1  0.367817  0.620423  0.558926  1
  H  H77  1  0.026643  0.278187  0.602795  1
  H  H78  1  0.526643  0.778187  0.602795  1
  H  H79  1  0.617977  0.370261  0.558926  1
  H  H80  1  0.117977  0.870261  0.558926  1
  H  H81  1  0.168488  0.170810  0.651983  1
  H  H82  1  0.668488  0.670810  0.651983  1
  H  H83  1  0.557771  0.060352  0.674806  1
  H  H84  1  0.057771  0.560352  0.674806  1
  H  H85  1  0.988376  0.990772  0.619352  1
  H  H86  1  0.488376  0.490772  0.619352  1
  H  H87  1  0.407060  0.909420  0.649936  1
  H  H88  1  0.907060  0.409420  0.649936  1
  H  H89  1  0.101488  0.854977  0.661934  1
  H  H90  1  0.601488  0.354977  0.661934  1
  H  H91  1  0.702879  0.938027  0.637201  1
  H  H92  1  0.202879  0.438027  0.637201  1
  H  H93  1  0.852586  0.103931  0.661938  1
  H  H94  1  0.352586  0.603931  0.661938  1
  H  H95  1  0.435648  0.205236  0.637173  1
  H  H96  1  0.935648  0.705236  0.637173  1
  Pd  Pd97  1  0.043905  0.802314  0.276640  1
  Pd  Pd98  1  0.543905  0.302314  0.276640  1
  Pd  Pd99  1  0.474198  0.724753  0.315111  1
  Pd  Pd100  1  0.974198  0.224753  0.315111  1
  Pd  Pd101  1  0.799989  0.046224  0.276641  1
  Pd  Pd102  1  0.299989  0.546224  0.276641  1
  Pd  Pd103  1  0.222491  0.976434  0.315110  1
  Pd  Pd104  1  0.722491  0.476434  0.315110  1
  Pd  Pd105  1  0.094179  0.096385  0.268375  1
  Pd  Pd106  1  0.594179  0.596385  0.268375  1
  Pd  Pd107  1  0.511594  0.013944  0.294782  1
  Pd  Pd108  1  0.011594  0.513944  0.294782  1
  Pd  Pd109  1  0.762106  0.764449  0.291709  1
  Pd  Pd110  1  0.262106  0.264449  0.291709  1
  Pd  Pd111  1  0.344726  0.846941  0.268507  1
  Pd  Pd112  1  0.844726  0.346941  0.268507  1
  Pd  Pd113  1  0.890648  0.643940  0.344866  1
  Pd  Pd114  1  0.390648  0.143940  0.344866  1
  Pd  Pd115  1  0.301118  0.553592  0.381394  1
  Pd  Pd116  1  0.801118  0.053592  0.381394  1
  Pd  Pd117  1  0.641505  0.893084  0.344872  1
  Pd  Pd118  1  0.141505  0.393084  0.344872  1
  Pd  Pd119  1  0.051266  0.803429  0.381393  1
  Pd  Pd120  1  0.551266  0.303429  0.381393  1
  Pd  Pd121  1  0.930414  0.932772  0.326659  1
  Pd  Pd122  1  0.430414  0.432772  0.326659  1
  Pd  Pd123  1  0.344886  0.847179  0.365739  1
  Pd  Pd124  1  0.844886  0.347179  0.365739  1
  Pd  Pd125  1  0.595612  0.597888  0.365339  1
  Pd  Pd126  1  0.095612  0.097888  0.365339  1
  Pd  Pd127  1  0.181383  0.683727  0.326545  1
  Pd  Pd128  1  0.681383  0.183727  0.326545  1
  Pd  Pd129  1  0.712960  0.465483  0.420116  1
  Pd  Pd130  1  0.212960  0.965483  0.420116  1
  Pd  Pd131  1  0.126744  0.379217  0.456767  1
  Pd  Pd132  1  0.626744  0.879217  0.456767  1
  Pd  Pd133  1  0.463174  0.715277  0.420115  1
  Pd  Pd134  1  0.963174  0.215277  0.420115  1
  Pd  Pd135  1  0.876814  0.629150  0.456767  1
  Pd  Pd136  1  0.376814  0.129150  0.456767  1
  Pd  Pd137  1  0.757532  0.759838  0.400601  1
  Pd  Pd138  1  0.257532  0.259838  0.400601  1
  Pd  Pd139  1  0.169317  0.671724  0.438140  1
  Pd  Pd140  1  0.669317  0.171724  0.438140  1
  Pd  Pd141  1  0.419345  0.421750  0.438212  1
  Pd  Pd142  1  0.919345  0.921750  0.438212  1
  Pd  Pd143  1  1.007668  0.509975  0.400445  1
  Pd  Pd144  1  0.507668  1.009975  0.400445  1
  Pd  Pd145  1  0.540709  0.293272  0.494115  1
  Pd  Pd146  1  0.040709  0.793272  0.494115  1
  Pd  Pd147  1  0.952679  0.205491  0.531902  1
  Pd  Pd148  1  0.452679  0.705491  0.531902  1
  Pd  Pd149  1  0.290798  0.543184  0.494116  1
  Pd  Pd150  1  0.790798  0.043184  0.494116  1
  Pd  Pd151  1  0.702987  0.455183  0.531901  1
  Pd  Pd152  1  0.202987  0.955183  0.531901  1
  Pd  Pd153  1  0.583299  0.585709  0.475606  1
  Pd  Pd154  1  0.083299  0.085709  0.475606  1
  Pd  Pd155  1  0.996800  0.499321  0.512072  1
  Pd  Pd156  1  0.496800  0.999321  0.512072  1
  Pd  Pd157  1  0.246924  0.249442  0.512213  1
  Pd  Pd158  1  0.746924  0.749442  0.512213  1
  Pd  Pd159  1  0.833095  0.335505  0.475539  1
  Pd  Pd160  1  0.333095  0.835505  0.475539  1
  Pd  Pd161  1  0.365574  0.118284  0.567069  1
  Pd  Pd162  1  0.865574  0.618284  0.567069  1
  Pd  Pd163  1  0.779618  0.033118  0.606835  1
  Pd  Pd164  1  0.279618  0.533118  0.606835  1
  Pd  Pd165  1  0.115804  0.368055  0.567069  1
  Pd  Pd166  1  0.615804  0.868055  0.567069  1
  Pd  Pd167  1  0.530730  0.282015  0.606836  1
  Pd  Pd168  1  0.030730  0.782015  0.606836  1
  Pd  Pd169  1  0.408297  0.410786  0.550520  1
  Pd  Pd170  1  0.908297  0.910786  0.550520  1
  Pd  Pd171  1  0.818637  0.320967  0.587500  1
  Pd  Pd172  1  0.318637  0.820967  0.587500  1
  Pd  Pd173  1  0.069553  0.071887  0.587083  1
  Pd  Pd174  1  0.569553  0.571887  0.587083  1
  Pd  Pd175  1  0.658479  0.160972  0.550354  1
  Pd  Pd176  1  0.158479  0.660972  0.550354  1
  Pd  Pd177  1  0.199178  0.951576  0.641330  1
  Pd  Pd178  1  0.699178  0.451576  0.641330  1
  Pd  Pd179  1  0.614354  0.876840  0.665910  1
  Pd  Pd180  1  0.114354  0.376840  0.665910  1
  Pd  Pd181  1  0.949242  0.201519  0.641329  1
  Pd  Pd182  1  0.449242  0.701519  0.641329  1
  Pd  Pd183  1  0.374225  0.116991  0.665908  1
  Pd  Pd184  1  0.874225  0.616991  0.665908  1
  Pd  Pd185  1  0.236016  0.238514  0.618587  1
  Pd  Pd186  1  0.736016  0.738514  0.618587  1
  Pd  Pd187  1  0.666349  0.168792  0.661282  1
  Pd  Pd188  1  0.166349  0.668792  0.661282  1
  Pd  Pd189  1  0.913840  0.916309  0.657560  1
  Pd  Pd190  1  0.413840  0.416309  0.657560  1
  Pd  Pd191  1  0.486500  0.988999  0.617623  1
  Pd  Pd192  1  0.986500  0.488999  0.617623  1
