# generated using pymatgen
data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77873774
_cell_length_b   12.54573147
_cell_length_c   51.84918723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd
_chemical_formula_sum   'H84 Pd84'
_cell_volume   3663.80818013
_cell_formula_units_Z   84
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  0.649281  0.869112  0.247572  1
  H  H2  1  0.798525  0.162587  0.261507  1
  H  H3  1  0.963346  0.492444  0.274860  1
  H  H4  1  0.963346  0.992444  0.274860  1
  H  H5  1  0.649281  0.369112  0.247572  1
  H  H6  1  0.798525  0.662587  0.261507  1
  H  H7  1  0.463346  0.992444  0.274860  1
  H  H8  1  0.149281  0.369112  0.247572  1
  H  H9  1  0.298525  0.662587  0.261507  1
  H  H10  1  0.149281  0.869112  0.247572  1
  H  H11  1  0.298525  0.162587  0.261507  1
  H  H12  1  0.463346  0.492444  0.274860  1
  H  H13  1  0.114801  0.792956  0.294089  1
  H  H14  1  0.275227  0.106015  0.315228  1
  H  H15  1  0.428466  0.412504  0.334391  1
  H  H16  1  0.428466  0.912504  0.334391  1
  H  H17  1  0.114801  0.292956  0.294089  1
  H  H18  1  0.275227  0.606015  0.315228  1
  H  H19  1  0.928466  0.912504  0.334391  1
  H  H20  1  0.614801  0.292956  0.294089  1
  H  H21  1  0.775227  0.606015  0.315228  1
  H  H22  1  0.614801  0.792956  0.294089  1
  H  H23  1  0.775227  0.106015  0.315228  1
  H  H24  1  0.928466  0.412504  0.334391  1
  H  H25  1  0.584113  0.718882  0.356324  1
  H  H26  1  0.737746  1.024321  0.382328  1
  H  H27  1  0.888693  0.328341  0.399298  1
  H  H28  1  0.888693  0.828341  0.399298  1
  H  H29  1  0.584113  0.218882  0.356324  1
  H  H30  1  0.737746  0.524321  0.382328  1
  H  H31  1  0.388693  0.828341  0.399298  1
  H  H32  1  0.084113  0.218882  0.356324  1
  H  H33  1  0.237746  0.524321  0.382328  1
  H  H34  1  0.084113  0.718882  0.356324  1
  H  H35  1  0.237746  1.024321  0.382328  1
  H  H36  1  0.388693  0.328341  0.399298  1
  H  H37  1  0.047662  0.643837  0.425303  1
  H  H38  1  0.199236  0.947994  0.440284  1
  H  H39  1  0.358165  0.263318  0.466437  1
  H  H40  1  0.358165  0.763318  0.466437  1
  H  H41  1  0.047662  0.143837  0.425303  1
  H  H42  1  0.199236  0.447994  0.440284  1
  H  H43  1  0.858165  0.763318  0.466437  1
  H  H44  1  0.547662  0.143837  0.425303  1
  H  H45  1  0.699236  0.447994  0.440284  1
  H  H46  1  0.547662  0.643837  0.425303  1
  H  H47  1  0.699236  0.947994  0.440284  1
  H  H48  1  0.858165  0.263318  0.466437  1
  H  H49  1  0.509231  0.566924  0.481501  1
  H  H50  1  0.668642  0.882793  0.507200  1
  H  H51  1  0.820108  0.186368  0.522420  1
  H  H52  1  0.820108  0.686368  0.522420  1
  H  H53  1  0.509231  0.066924  0.481501  1
  H  H54  1  0.668642  0.382793  0.507200  1
  H  H55  1  0.320108  0.686368  0.522420  1
  H  H56  1  1.009231  0.066924  0.481501  1
  H  H57  1  0.168642  0.382793  0.507200  1
  H  H58  1  1.009231  0.566924  0.481501  1
  H  H59  1  0.168642  0.882793  0.507200  1
  H  H60  1  0.320108  0.186368  0.522420  1
  H  H61  1  0.978125  0.499420  0.548291  1
  H  H62  1  0.128626  0.803974  0.566224  1
  H  H63  1  0.286537  0.116929  0.590296  1
  H  H64  1  0.286537  0.616929  0.590296  1
  H  H65  1  0.978125  0.999420  0.548291  1
  H  H66  1  0.128626  0.303974  0.566224  1
  H  H67  1  0.786537  0.616929  0.590296  1
  H  H68  1  0.478125  0.999420  0.548291  1
  H  H69  1  0.628626  0.303974  0.566224  1
  H  H70  1  0.478125  0.499420  0.548291  1
  H  H71  1  0.628626  0.803974  0.566224  1
  H  H72  1  0.786537  0.116929  0.590296  1
  H  H73  1  0.423104  0.394696  0.623425  1
  H  H74  1  0.596012  0.741371  0.646146  1
  H  H75  1  0.755075  0.058632  0.641504  1
  H  H76  1  0.755075  0.558632  0.641504  1
  H  H77  1  0.423104  0.894696  0.623425  1
  H  H78  1  0.596012  0.241371  0.646146  1
  H  H79  1  0.255075  0.558632  0.641504  1
  H  H80  1  0.923104  0.894696  0.623425  1
  H  H81  1  0.096012  0.241371  0.646146  1
  H  H82  1  0.923104  0.394696  0.623425  1
  H  H83  1  0.096012  0.741371  0.646146  1
  H  H84  1  0.255075  0.058632  0.641504  1
  Pd  Pd85  1  0.724442  1.015325  0.251412  1
  Pd  Pd86  1  0.865674  0.302961  0.255501  1
  Pd  Pd87  1  0.044201  0.648329  0.287788  1
  Pd  Pd88  1  0.865674  0.802961  0.255501  1
  Pd  Pd89  1  0.044201  0.148329  0.287788  1
  Pd  Pd90  1  0.724442  0.515325  0.251412  1
  Pd  Pd91  1  0.365674  0.802961  0.255501  1
  Pd  Pd92  1  0.544201  0.148329  0.287788  1
  Pd  Pd93  1  0.224442  0.515325  0.251412  1
  Pd  Pd94  1  0.224442  1.015325  0.251412  1
  Pd  Pd95  1  0.365674  0.302961  0.255501  1
  Pd  Pd96  1  0.544201  0.648329  0.287788  1
  Pd  Pd97  1  0.203813  0.933264  0.302938  1
  Pd  Pd98  1  0.354533  0.256881  0.330094  1
  Pd  Pd99  1  0.504811  0.555188  0.345519  1
  Pd  Pd100  1  0.354533  0.756881  0.330094  1
  Pd  Pd101  1  0.504811  0.055188  0.345519  1
  Pd  Pd102  1  0.203813  0.433264  0.302938  1
  Pd  Pd103  1  0.854533  0.756881  0.330094  1
  Pd  Pd104  1  1.004811  0.055188  0.345519  1
  Pd  Pd105  1  0.703813  0.433264  0.302938  1
  Pd  Pd106  1  0.703813  0.933264  0.302938  1
  Pd  Pd107  1  0.854533  0.256881  0.330094  1
  Pd  Pd108  1  1.004811  0.555188  0.345519  1
  Pd  Pd109  1  0.664097  0.874433  0.370918  1
  Pd  Pd110  1  0.814289  0.175832  0.388900  1
  Pd  Pd111  1  0.971444  0.489915  0.411789  1
  Pd  Pd112  1  0.814289  0.675832  0.388900  1
  Pd  Pd113  1  0.971444  0.989915  0.411789  1
  Pd  Pd114  1  0.664097  0.374433  0.370918  1
  Pd  Pd115  1  0.314289  0.675832  0.388900  1
  Pd  Pd116  1  0.471444  0.989915  0.411789  1
  Pd  Pd117  1  0.164097  0.374433  0.370918  1
  Pd  Pd118  1  0.164097  0.874433  0.370918  1
  Pd  Pd119  1  0.314289  0.175832  0.388900  1
  Pd  Pd120  1  0.471444  0.489915  0.411789  1
  Pd  Pd121  1  0.124439  0.796326  0.431877  1
  Pd  Pd122  1  0.278806  0.104894  0.453302  1
  Pd  Pd123  1  0.433543  0.414869  0.475397  1
  Pd  Pd124  1  0.278806  0.604894  0.453302  1
  Pd  Pd125  1  0.433543  0.914869  0.475397  1
  Pd  Pd126  1  0.124439  0.296326  0.431877  1
  Pd  Pd127  1  0.778806  0.604894  0.453302  1
  Pd  Pd128  1  0.933543  0.914869  0.475397  1
  Pd  Pd129  1  0.624439  0.296326  0.431877  1
  Pd  Pd130  1  0.624439  0.796326  0.431877  1
  Pd  Pd131  1  0.778806  0.104894  0.453302  1
  Pd  Pd132  1  0.933543  0.414869  0.475397  1
  Pd  Pd133  1  0.585943  0.719403  0.495053  1
  Pd  Pd134  1  0.742873  0.033336  0.518930  1
  Pd  Pd135  1  0.893100  0.333434  0.536771  1
  Pd  Pd136  1  0.742873  0.533336  0.518930  1
  Pd  Pd137  1  0.893100  0.833434  0.536771  1
  Pd  Pd138  1  0.585943  0.219403  0.495053  1
  Pd  Pd139  1  0.242873  0.533336  0.518930  1
  Pd  Pd140  1  0.393100  0.833434  0.536771  1
  Pd  Pd141  1  0.085943  0.219403  0.495053  1
  Pd  Pd142  1  0.085943  0.719403  0.495053  1
  Pd  Pd143  1  0.242873  0.033336  0.518930  1
  Pd  Pd144  1  0.393100  0.333434  0.536771  1
  Pd  Pd145  1  0.052523  0.652277  0.562178  1
  Pd  Pd146  1  0.201177  0.950065  0.577081  1
  Pd  Pd147  1  0.362009  0.270622  0.603010  1
  Pd  Pd148  1  0.201177  0.450065  0.577081  1
  Pd  Pd149  1  0.362009  0.770622  0.603010  1
  Pd  Pd150  1  0.052523  0.152277  0.562178  1
  Pd  Pd151  1  0.701177  0.450065  0.577081  1
  Pd  Pd152  1  0.862009  0.770622  0.603010  1
  Pd  Pd153  1  0.552523  0.152277  0.562178  1
  Pd  Pd154  1  0.552523  0.652277  0.562178  1
  Pd  Pd155  1  0.701177  0.950065  0.577081  1
  Pd  Pd156  1  0.862009  0.270622  0.603010  1
  Pd  Pd157  1  0.506841  0.562115  0.618113  1
  Pd  Pd158  1  0.672074  0.891632  0.644116  1
  Pd  Pd159  1  0.816665  0.181551  0.655328  1
  Pd  Pd160  1  0.672074  0.391632  0.644116  1
  Pd  Pd161  1  0.816665  0.681551  0.655328  1
  Pd  Pd162  1  0.506841  0.062115  0.618113  1
  Pd  Pd163  1  0.172074  0.391632  0.644116  1
  Pd  Pd164  1  0.316665  0.681551  0.655328  1
  Pd  Pd165  1  1.006841  0.062115  0.618113  1
  Pd  Pd166  1  1.006841  0.562115  0.618113  1
  Pd  Pd167  1  0.172074  0.891632  0.644116  1
  Pd  Pd168  1  0.316665  0.181551  0.655328  1
