# generated using pymatgen
data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80018210
_cell_length_b   9.11733424
_cell_length_c   51.58445909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd
_chemical_formula_sum   'H64 Pd64'
_cell_volume   2587.91281229
_cell_formula_units_Z   64
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  0.523231  0.637950  0.247462  1
  H  H2  1  0.734283  0.059659  0.252716  1
  H  H3  1  0.865680  0.823219  0.274422  1
  H  H4  1  0.620139  0.333923  0.256249  1
  H  H5  1  0.365680  0.823219  0.274422  1
  H  H6  1  0.120139  0.333923  0.256249  1
  H  H7  1  1.023231  0.637950  0.247462  1
  H  H8  1  0.234283  0.059659  0.252716  1
  H  H9  1  0.952026  0.508543  0.292893  1
  H  H10  1  0.169731  0.934083  0.321269  1
  H  H11  1  0.269544  0.635920  0.341587  1
  H  H12  1  0.063833  0.225952  0.309043  1
  H  H13  1  0.769544  0.635920  0.341587  1
  H  H14  1  0.563833  0.225952  0.309043  1
  H  H15  1  0.452026  0.508543  0.292893  1
  H  H16  1  0.669731  0.934083  0.321269  1
  H  H17  1  0.372124  0.340589  0.357900  1
  H  H18  1  0.584767  0.764776  0.388374  1
  H  H19  1  0.691683  0.479276  0.401076  1
  H  H20  1  0.473284  0.041855  0.367993  1
  H  H21  1  0.191683  0.479276  0.401076  1
  H  H22  1  0.973284  0.041855  0.367993  1
  H  H23  1  0.872124  0.340589  0.357900  1
  H  H24  1  0.084767  0.764776  0.388374  1
  H  H25  1  0.796922  0.188957  0.410641  1
  H  H26  1  1.014526  0.624266  0.443598  1
  H  H27  1  0.120912  0.337070  0.453194  1
  H  H28  1  0.907990  0.911016  0.431812  1
  H  H29  1  0.620912  0.337070  0.453194  1
  H  H30  1  0.407990  0.911016  0.431812  1
  H  H31  1  0.296922  0.188957  0.410641  1
  H  H32  1  0.514526  0.624266  0.443598  1
  H  H33  1  0.232535  0.060068  0.474902  1
  H  H34  1  0.445458  0.486122  0.496284  1
  H  H35  1  0.556526  0.208181  0.517455  1
  H  H36  1  0.338922  0.772872  0.484497  1
  H  H37  1  0.056526  0.208181  0.517455  1
  H  H38  1  0.838922  0.772872  0.484497  1
  H  H39  1  0.732535  0.060068  0.474902  1
  H  H40  1  0.945458  0.486122  0.496284  1
  H  H41  1  0.661765  0.917862  0.527020  1
  H  H42  1  0.880164  0.355283  0.560103  1
  H  H43  1  0.981324  0.056549  0.570195  1
  H  H44  1  0.768681  0.632362  0.539722  1
  H  H45  1  0.481324  0.056549  0.570195  1
  H  H46  1  0.268681  0.632362  0.539722  1
  H  H47  1  0.161765  0.917862  0.527020  1
  H  H48  1  0.380164  0.355283  0.560103  1
  H  H49  1  0.083903  0.761218  0.586508  1
  H  H50  1  0.289615  0.171186  0.619052  1
  H  H51  1  0.401422  0.888595  0.635202  1
  H  H52  1  0.183717  0.463055  0.606827  1
  H  H53  1  0.901422  0.888595  0.635202  1
  H  H54  1  0.683717  0.463055  0.606827  1
  H  H55  1  0.583903  0.761218  0.586508  1
  H  H56  1  0.789615  0.171186  0.619052  1
  H  H57  1  0.487768  0.573919  0.653673  1
  H  H58  1  0.733309  0.063215  0.671846  1
  H  H59  1  0.830216  0.759188  0.680633  1
  H  H60  1  0.619164  0.337479  0.675379  1
  H  H61  1  0.330216  0.759188  0.680633  1
  H  H62  1  0.119164  0.337479  0.675379  1
  H  H63  1  0.987768  0.573919  0.653673  1
  H  H64  1  0.233309  0.063215  0.671846  1
  Pd  Pd65  1  0.627206  0.847265  0.250778  1
  Pd  Pd66  1  0.857285  0.307016  0.280781  1
  Pd  Pd67  1  0.726430  0.543922  0.253679  1
  Pd  Pd68  1  0.527602  0.146802  0.242746  1
  Pd  Pd69  1  0.226430  0.543922  0.253679  1
  Pd  Pd70  1  0.027602  0.146802  0.242746  1
  Pd  Pd71  1  0.127206  0.847265  0.250778  1
  Pd  Pd72  1  0.357285  0.307016  0.280781  1
  Pd  Pd73  1  0.060026  0.714101  0.300430  1
  Pd  Pd74  1  0.279442  0.153409  0.336401  1
  Pd  Pd75  1  0.179428  0.452601  0.322170  1
  Pd  Pd76  1  0.958130  1.010837  0.293282  1
  Pd  Pd77  1  0.679428  0.452601  0.322170  1
  Pd  Pd78  1  0.458130  1.010837  0.293282  1
  Pd  Pd79  1  0.560026  0.714101  0.300430  1
  Pd  Pd80  1  0.779442  0.153409  0.336401  1
  Pd  Pd81  1  0.490484  0.575468  0.366706  1
  Pd  Pd82  1  0.696555  0.988030  0.393484  1
  Pd  Pd83  1  0.593111  0.281339  0.381635  1
  Pd  Pd84  1  0.378475  0.851605  0.346891  1
  Pd  Pd85  1  0.093111  0.281339  0.381635  1
  Pd  Pd86  1  0.878475  0.851605  0.346891  1
  Pd  Pd87  1  0.990484  0.575468  0.366706  1
  Pd  Pd88  1  0.196555  0.988030  0.393484  1
  Pd  Pd89  1  0.910206  0.415571  0.426563  1
  Pd  Pd90  1  0.124779  0.844519  0.456646  1
  Pd  Pd91  1  1.016445  0.127855  0.440477  1
  Pd  Pd92  1  0.806323  0.707565  0.411685  1
  Pd  Pd93  1  0.516445  0.127855  0.440477  1
  Pd  Pd94  1  0.306323  0.707565  0.411685  1
  Pd  Pd95  1  0.410206  0.415571  0.426563  1
  Pd  Pd96  1  0.624779  0.844519  0.456646  1
  Pd  Pd97  1  0.337003  0.269283  0.487619  1
  Pd  Pd98  1  0.547125  0.689573  0.516410  1
  Pd  Pd99  1  0.443241  0.981567  0.501533  1
  Pd  Pd100  1  0.228669  0.552619  0.471450  1
  Pd  Pd101  1  0.943241  0.981567  0.501533  1
  Pd  Pd102  1  0.728669  0.552619  0.471450  1
  Pd  Pd103  1  0.837003  0.269283  0.487619  1
  Pd  Pd104  1  0.047125  0.689573  0.516410  1
  Pd  Pd105  1  0.760337  0.115799  0.546460  1
  Pd  Pd106  1  0.974973  0.545533  0.581204  1
  Pd  Pd107  1  0.862964  0.821670  0.561389  1
  Pd  Pd108  1  0.656893  0.409108  0.534612  1
  Pd  Pd109  1  0.362964  0.821670  0.561389  1
  Pd  Pd110  1  0.156893  0.409108  0.534612  1
  Pd  Pd111  1  0.260337  0.115799  0.546460  1
  Pd  Pd112  1  0.474973  0.545533  0.581204  1
  Pd  Pd113  1  0.174019  0.944537  0.605926  1
  Pd  Pd114  1  0.395318  0.386301  0.634813  1
  Pd  Pd115  1  0.293421  0.683037  0.627666  1
  Pd  Pd116  1  0.074005  0.243729  0.591694  1
  Pd  Pd117  1  0.793421  0.683037  0.627666  1
  Pd  Pd118  1  0.574005  0.243729  0.591694  1
  Pd  Pd119  1  0.674019  0.944537  0.605926  1
  Pd  Pd120  1  0.895318  0.386301  0.634813  1
  Pd  Pd121  1  0.627018  0.853216  0.674416  1
  Pd  Pd122  1  0.825846  0.250336  0.685350  1
  Pd  Pd123  1  0.726241  0.549873  0.677317  1
  Pd  Pd124  1  0.496163  0.090122  0.647314  1
  Pd  Pd125  1  0.226241  0.549873  0.677317  1
  Pd  Pd126  1  0.996163  0.090122  0.647314  1
  Pd  Pd127  1  0.127018  0.853216  0.674416  1
  Pd  Pd128  1  0.325846  0.250336  0.685350  1
