# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.17256257
_cell_length_b   7.48516014
_cell_length_c   53.99189433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.66907274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H44 Pd132'
_cell_volume   4889.39424266
_cell_formula_units_Z   44
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  0.049876  0.778365  0.237202  1
  H  H2  1  0.549876  0.778365  0.237202  1
  H  H3  1  0.201848  1.024391  0.235750  1
  H  H4  1  0.701848  1.024391  0.235750  1
  H  H5  1  0.857268  0.540878  0.243591  1
  H  H6  1  0.357268  0.540878  0.243591  1
  H  H7  1  0.103366  0.847866  0.282833  1
  H  H8  1  0.603366  0.847866  0.282833  1
  H  H9  1  0.864645  0.378201  0.308874  1
  H  H10  1  0.364645  0.378201  0.308874  1
  H  H11  1  0.005980  0.657879  0.324450  1
  H  H12  1  0.505980  0.657879  0.324450  1
  H  H13  1  0.782145  0.170647  0.350511  1
  H  H14  1  0.282145  0.170647  0.350511  1
  H  H15  1  0.920762  0.455021  0.364379  1
  H  H16  1  0.420762  0.455021  0.364379  1
  H  H17  1  0.695795  0.968243  0.390322  1
  H  H18  1  0.195795  0.968243  0.390322  1
  H  H19  1  0.834891  0.255076  0.404271  1
  H  H20  1  0.334891  0.255076  0.404271  1
  H  H21  1  0.610551  0.766809  0.430153  1
  H  H22  1  0.110551  0.766809  0.430153  1
  H  H23  1  0.749038  1.054840  0.443932  1
  H  H24  1  0.249038  1.054840  0.443932  1
  H  H25  1  0.524971  0.565805  0.469923  1
  H  H26  1  0.024971  0.565805  0.469923  1
  H  H27  1  0.663857  0.853923  0.483721  1
  H  H28  1  0.163857  0.853923  0.483721  1
  H  H29  1  0.438813  0.364470  0.509920  1
  H  H30  1  0.938813  0.364470  0.509920  1
  H  H31  1  0.576795  0.653008  0.523420  1
  H  H32  1  0.076795  0.653008  0.523420  1
  H  H33  1  0.355537  0.155901  0.550525  1
  H  H34  1  0.855537  0.155901  0.550525  1
  H  H35  1  0.488179  0.457683  0.565856  1
  H  H36  1  0.988179  0.457683  0.565856  1
  H  H37  1  0.276872  0.977502  0.598795  1
  H  H38  1  0.776872  0.977502  0.598795  1
  H  H39  1  0.495826  0.304973  0.625727  1
  H  H40  1  0.995826  0.304973  0.625727  1
  H  H41  1  0.170270  0.742823  0.622791  1
  H  H42  1  0.670270  0.742823  0.622791  1
  H  H43  1  0.450354  0.881381  0.625576  1
  H  H44  1  0.950354  0.881381  0.625576  1
  Pd  Pd45  1  0.914742  0.723304  0.236283  1
  Pd  Pd46  1  0.414742  0.723304  0.236283  1
  Pd  Pd47  1  0.960198  0.367509  0.249128  1
  Pd  Pd48  1  0.460198  0.367509  0.249128  1
  Pd  Pd49  1  0.175243  0.817708  0.227047  1
  Pd  Pd50  1  0.675243  0.817708  0.227047  1
  Pd  Pd51  1  0.329340  0.087031  0.236889  1
  Pd  Pd52  1  0.829340  0.087031  0.236889  1
  Pd  Pd53  1  0.253470  0.453893  0.233136  1
  Pd  Pd54  1  0.753470  0.453893  0.233136  1
  Pd  Pd55  1  0.119306  0.180977  0.224743  1
  Pd  Pd56  1  0.619306  0.180977  0.224743  1
  Pd  Pd57  1  0.810238  0.532234  0.280581  1
  Pd  Pd58  1  0.310238  0.532234  0.280581  1
  Pd  Pd59  1  0.875633  0.167335  0.288471  1
  Pd  Pd60  1  0.375633  0.167335  0.288471  1
  Pd  Pd61  1  0.096342  0.622937  0.263515  1
  Pd  Pd62  1  0.596342  0.622937  0.263515  1
  Pd  Pd63  1  0.244293  0.894704  0.273593  1
  Pd  Pd64  1  0.744293  0.894704  0.273593  1
  Pd  Pd65  1  0.170169  0.257521  0.270778  1
  Pd  Pd66  1  0.670169  0.257521  0.270778  1
  Pd  Pd67  1  0.028560  0.986130  0.258272  1
  Pd  Pd68  1  0.528560  0.986130  0.258272  1
  Pd  Pd69  1  0.722866  0.328658  0.321024  1
  Pd  Pd70  1  0.222866  0.328658  0.321024  1
  Pd  Pd71  1  0.788712  0.965530  0.328449  1
  Pd  Pd72  1  0.288712  0.965530  0.328449  1
  Pd  Pd73  1  0.011151  0.426030  0.302008  1
  Pd  Pd74  1  0.511151  0.426030  0.302008  1
  Pd  Pd75  1  0.152688  0.696692  0.313372  1
  Pd  Pd76  1  0.652688  0.696692  0.313372  1
  Pd  Pd77  1  0.084959  1.055457  0.307185  1
  Pd  Pd78  1  0.584959  1.055457  0.307185  1
  Pd  Pd79  1  0.942728  0.793136  0.296019  1
  Pd  Pd80  1  0.442728  0.793136  0.296019  1
  Pd  Pd81  1  0.636119  0.126388  0.360960  1
  Pd  Pd82  1  0.136119  0.126388  0.360960  1
  Pd  Pd83  1  0.703087  0.764451  0.368265  1
  Pd  Pd84  1  0.203087  0.764451  0.368265  1
  Pd  Pd85  1  0.928176  0.227570  0.340744  1
  Pd  Pd86  1  0.428176  0.227570  0.340744  1
  Pd  Pd87  1  0.066040  0.498101  0.353416  1
  Pd  Pd88  1  0.566040  0.498101  0.353416  1
  Pd  Pd89  1  -0.001236  0.858218  0.346739  1
  Pd  Pd90  1  0.498764  0.858218  0.346739  1
  Pd  Pd91  1  0.857496  0.594023  0.335032  1
  Pd  Pd92  1  0.357496  0.594023  0.335032  1
  Pd  Pd93  1  0.550503  0.925500  0.401011  1
  Pd  Pd94  1  0.050503  0.925500  0.401011  1
  Pd  Pd95  1  0.617926  0.563772  0.407981  1
  Pd  Pd96  1  0.117926  0.563772  0.407981  1
  Pd  Pd97  1  0.842968  1.028399  0.380491  1
  Pd  Pd98  1  0.342968  1.028399  0.380491  1
  Pd  Pd99  1  0.980087  0.297689  0.393396  1
  Pd  Pd100  1  0.480087  0.297689  0.393396  1
  Pd  Pd101  1  0.912947  0.658623  0.386563  1
  Pd  Pd102  1  0.412947  0.658623  0.386563  1
  Pd  Pd103  1  0.772772  0.393501  0.374367  1
  Pd  Pd104  1  0.272772  0.393501  0.374367  1
  Pd  Pd105  1  0.465029  0.724773  0.440868  1
  Pd  Pd106  1  0.965029  0.724773  0.440868  1
  Pd  Pd107  1  0.532517  0.363648  0.447731  1
  Pd  Pd108  1  0.032517  0.363648  0.447731  1
  Pd  Pd109  1  0.757642  0.828282  0.420301  1
  Pd  Pd110  1  0.257642  0.828282  0.420301  1
  Pd  Pd111  1  0.894300  0.097200  0.433409  1
  Pd  Pd112  1  0.394300  0.097200  0.433409  1
  Pd  Pd113  1  0.827211  0.458275  0.426424  1
  Pd  Pd114  1  0.327211  0.458275  0.426424  1
  Pd  Pd115  1  0.687545  0.193553  0.414023  1
  Pd  Pd116  1  0.187545  0.193553  0.414023  1
  Pd  Pd117  1  0.379346  0.524626  0.480775  1
  Pd  Pd118  1  0.879346  0.524626  0.480775  1
  Pd  Pd119  1  0.447291  0.163754  0.487370  1
  Pd  Pd120  1  0.947291  0.163754  0.487370  1
  Pd  Pd121  1  0.672347  0.627705  0.460109  1
  Pd  Pd122  1  0.172347  0.627705  0.460109  1
  Pd  Pd123  1  0.808610  0.896461  0.473353  1
  Pd  Pd124  1  0.308610  0.896461  0.473353  1
  Pd  Pd125  1  0.741399  0.257650  0.466338  1
  Pd  Pd126  1  0.241399  0.257650  0.466338  1
  Pd  Pd127  1  0.602381  0.993377  0.453785  1
  Pd  Pd128  1  0.102381  0.993377  0.453785  1
  Pd  Pd129  1  0.293540  0.324936  0.520401  1
  Pd  Pd130  1  0.793540  0.324936  0.520401  1
  Pd  Pd131  1  0.362824  0.963531  0.526636  1
  Pd  Pd132  1  0.862824  0.963531  0.526636  1
  Pd  Pd133  1  0.586739  0.426726  0.499940  1
  Pd  Pd134  1  0.086739  0.426726  0.499940  1
  Pd  Pd135  1  0.722499  0.696257  0.513448  1
  Pd  Pd136  1  0.222499  0.696257  0.513448  1
  Pd  Pd137  1  0.655604  1.056766  0.506335  1
  Pd  Pd138  1  0.155604  1.056766  0.506335  1
  Pd  Pd139  1  0.517479  0.792690  0.493448  1
  Pd  Pd140  1  0.017479  0.792690  0.493448  1
  Pd  Pd141  1  0.210623  0.126322  0.559541  1
  Pd  Pd142  1  0.710623  0.126322  0.559541  1
  Pd  Pd143  1  0.278822  0.764788  0.565936  1
  Pd  Pd144  1  0.778822  0.764788  0.565936  1
  Pd  Pd145  1  0.500631  0.223463  0.539620  1
  Pd  Pd146  1  0.000631  0.223463  0.539620  1
  Pd  Pd147  1  0.635148  0.497512  0.553221  1
  Pd  Pd148  1  0.135148  0.497512  0.553221  1
  Pd  Pd149  1  0.569037  0.856638  0.546570  1
  Pd  Pd150  1  0.069037  0.856638  0.546570  1
  Pd  Pd151  1  0.432089  0.591688  0.533057  1
  Pd  Pd152  1  0.932089  0.591688  0.533057  1
  Pd  Pd153  1  0.125792  0.929248  0.598375  1
  Pd  Pd154  1  0.625792  0.929248  0.598375  1
  Pd  Pd155  1  0.193253  0.566093  0.602729  1
  Pd  Pd156  1  0.693253  0.566093  0.602729  1
  Pd  Pd157  1  0.413382  1.018745  0.580038  1
  Pd  Pd158  1  0.913382  1.018745  0.580038  1
  Pd  Pd159  1  0.549262  0.294445  0.590687  1
  Pd  Pd160  1  0.049262  0.294445  0.590687  1
  Pd  Pd161  1  0.477312  0.659206  0.587576  1
  Pd  Pd162  1  0.977312  0.659206  0.587576  1
  Pd  Pd163  1  0.346320  0.389694  0.571889  1
  Pd  Pd164  1  0.846320  0.389694  0.571889  1
  Pd  Pd165  1  0.048806  0.737074  0.635110  1
  Pd  Pd166  1  0.548806  0.737074  0.635110  1
  Pd  Pd167  1  0.103552  0.366285  0.636845  1
  Pd  Pd168  1  0.603552  0.366285  0.636845  1
  Pd  Pd169  1  0.314125  0.827537  0.623877  1
  Pd  Pd170  1  0.814125  0.827537  0.623877  1
  Pd  Pd171  1  0.467833  0.094808  0.629987  1
  Pd  Pd172  1  0.967833  0.094808  0.629987  1
  Pd  Pd173  1  0.389924  0.460558  0.624664  1
  Pd  Pd174  1  0.889924  0.460558  0.624664  1
  Pd  Pd175  1  0.261091  0.187073  0.611139  1
  Pd  Pd176  1  0.761091  0.187073  0.611139  1
