# generated using pymatgen
data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19916039
_cell_length_b   9.19348194
_cell_length_c   51.21274046
_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   4243.67240614
_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  0.843586  0.862649  0.272269  1
  H  H2  1  0.359010  0.347607  0.272229  1
  H  H3  1  0.233896  0.738020  0.283695  1
  H  H4  1  0.758000  0.261935  0.291142  1
  H  H5  1  1.010540  1.009471  0.293189  1
  H  H6  1  0.505591  0.514565  0.293204  1
  H  H7  1  0.596853  0.100712  0.272683  1
  H  H8  1  0.932807  0.436820  0.327699  1
  H  H9  1  0.722925  0.977100  0.315113  1
  H  H10  1  0.214462  0.481454  0.310140  1
  H  H11  1  0.280443  0.026380  0.280756  1
  H  H12  1  0.777976  0.539273  0.281368  1
  H  H13  1  0.977597  0.718244  0.310184  1
  H  H14  1  0.473176  0.226815  0.315090  1
  H  H15  1  0.521822  0.784725  0.280739  1
  H  H16  1  0.035080  0.282261  0.281375  1
  H  H17  1  0.683106  0.688686  0.327178  1
  H  H18  1  0.184658  0.187246  0.327168  1
  H  H19  1  0.089192  0.592759  0.376081  1
  H  H20  1  0.590319  0.093961  0.376288  1
  H  H21  1  0.839449  0.842832  0.376353  1
  H  H22  1  0.339258  0.343051  0.376351  1
  H  H23  1  0.433257  0.937297  0.327278  1
  H  H24  1  0.748499  0.251790  0.411411  1
  H  H25  1  0.540815  0.794656  0.394349  1
  H  H26  1  0.040992  0.294577  0.394327  1
  H  H27  1  0.138422  0.891629  0.352962  1
  H  H28  1  0.640056  0.395551  0.352508  1
  H  H29  1  0.791121  0.544443  0.394326  1
  H  H30  1  0.291182  0.044281  0.394353  1
  H  H31  1  0.387429  0.642731  0.352948  1
  H  H32  1  0.891330  0.144219  0.352547  1
  H  H33  1  0.498452  0.501737  0.411383  1
  H  H34  1  0.998446  1.001746  0.411372  1
  H  H35  1  0.913206  0.416519  0.444697  1
  H  H36  1  0.413153  0.916429  0.444744  1
  H  H37  1  0.663059  0.666415  0.444736  1
  H  H38  1  0.163110  0.166350  0.444736  1
  H  H39  1  0.248441  0.751745  0.411295  1
  H  H40  1  0.579906  0.083085  0.477600  1
  H  H41  1  0.370359  0.623731  0.461369  1
  H  H42  1  0.870546  0.123756  0.461377  1
  H  H43  1  0.955027  0.708166  0.427893  1
  H  H44  1  0.455022  0.208427  0.427857  1
  H  H45  1  0.620496  0.373798  0.461378  1
  H  H46  1  0.120485  0.873612  0.461367  1
  H  H47  1  0.204846  0.458350  0.427896  1
  H  H48  1  0.705120  0.958345  0.427853  1
  H  H49  1  0.329889  0.332962  0.477572  1
  H  H50  1  0.829761  0.833067  0.477572  1
  H  H51  1  0.745737  0.248840  0.511151  1
  H  H52  1  0.245589  0.748705  0.511177  1
  H  H53  1  0.495577  0.498637  0.511068  1
  H  H54  1  0.995544  0.998682  0.511062  1
  H  H55  1  0.079808  0.583004  0.477602  1
  H  H56  1  0.409890  0.912825  0.544579  1
  H  H57  1  0.203014  0.455881  0.527484  1
  H  H58  1  0.702689  0.955871  0.527579  1
  H  H59  1  0.787672  0.540679  0.494278  1
  H  H60  1  0.287480  0.040643  0.494296  1
  H  H61  1  0.452735  0.205816  0.527567  1
  H  H62  1  0.952619  0.706235  0.527485  1
  H  H63  1  0.037597  0.290744  0.494280  1
  H  H64  1  0.537564  0.790573  0.494301  1
  H  H65  1  0.159751  0.163012  0.544675  1
  H  H66  1  0.660080  0.662670  0.544669  1
  H  H67  1  0.558914  0.060502  0.586815  1
  H  H68  1  0.060089  0.561564  0.591489  1
  H  H69  1  0.309044  0.309784  0.586754  1
  H  H70  1  0.808457  0.810522  0.586653  1
  H  H71  1  0.910384  0.413337  0.544673  1
  H  H72  1  0.228265  0.730268  0.624798  1
  H  H73  1  0.016906  0.265553  0.609230  1
  H  H74  1  0.515695  0.768983  0.610812  1
  H  H75  1  0.611678  0.364425  0.562575  1
  H  H76  1  0.111202  0.864796  0.562150  1
  H  H77  1  0.267283  0.017373  0.610827  1
  H  H78  1  0.763802  0.518685  0.609218  1
  H  H79  1  0.861601  0.114571  0.562568  1
  H  H80  1  0.361924  0.614077  0.562153  1
  H  H81  1  0.977182  0.979925  0.624005  1
  H  H82  1  0.477980  0.479227  0.624015  1
  H  H83  1  0.410504  0.912186  0.657808  1
  H  H84  1  0.900961  0.403055  0.654874  1
  H  H85  1  0.161841  0.159261  0.657401  1
  H  H86  1  0.657318  0.663546  0.657390  1
  H  H87  1  0.725635  0.227666  0.623461  1
  H  H88  1  0.051669  0.553320  0.679354  1
  H  H89  1  0.845956  0.101475  0.666027  1
  H  H90  1  0.345862  0.592576  0.666825  1
  H  H91  1  0.439896  0.186292  0.646613  1
  H  H92  1  0.919409  0.703467  0.642490  1
  H  H93  1  0.090724  0.847958  0.666818  1
  H  H94  1  0.599606  0.347916  0.666035  1
  H  H95  1  0.684135  0.941952  0.646592  1
  H  H96  1  0.201339  0.421506  0.642428  1
  Pd  Pd97  1  0.790507  0.050068  0.276982  1
  Pd  Pd98  1  0.300328  0.543761  0.278621  1
  Pd  Pd99  1  0.219013  0.973847  0.316734  1
  Pd  Pd100  1  0.719582  0.474718  0.317099  1
  Pd  Pd101  1  0.039768  0.804168  0.278634  1
  Pd  Pd102  1  0.546298  0.294415  0.276974  1
  Pd  Pd103  1  0.469693  0.723051  0.316736  1
  Pd  Pd104  1  0.970734  0.223624  0.317099  1
  Pd  Pd105  1  0.760338  0.762629  0.293923  1
  Pd  Pd106  1  0.259233  0.263826  0.293833  1
  Pd  Pd107  1  0.338763  0.843166  0.269191  1
  Pd  Pd108  1  0.850429  0.354643  0.270466  1
  Pd  Pd109  1  0.092124  0.097256  0.269782  1
  Pd  Pd110  1  0.593042  0.596523  0.269784  1
  Pd  Pd111  1  0.506229  1.009566  0.294026  1
  Pd  Pd112  1  0.013613  0.517030  0.297813  1
  Pd  Pd113  1  0.637261  0.891477  0.346831  1
  Pd  Pd114  1  0.138218  0.390339  0.347935  1
  Pd  Pd115  1  0.047732  0.800948  0.384186  1
  Pd  Pd116  1  0.546923  0.301378  0.384489  1
  Pd  Pd117  1  0.886661  0.641907  0.347949  1
  Pd  Pd118  1  0.387681  0.141023  0.346810  1
  Pd  Pd119  1  0.297156  0.551505  0.384179  1
  Pd  Pd120  1  0.797539  0.050734  0.384501  1
  Pd  Pd121  1  0.591033  0.595453  0.367631  1
  Pd  Pd122  1  0.091395  0.094980  0.367657  1
  Pd  Pd123  1  0.179344  0.683244  0.329710  1
  Pd  Pd124  1  0.677824  0.181682  0.328479  1
  Pd  Pd125  1  0.927075  0.931589  0.328935  1
  Pd  Pd126  1  0.427688  0.430881  0.328910  1
  Pd  Pd127  1  0.341293  0.845169  0.367985  1
  Pd  Pd128  1  0.840614  0.344580  0.368246  1
  Pd  Pd129  1  0.458865  0.712510  0.422729  1
  Pd  Pd130  1  0.958955  0.212331  0.422847  1
  Pd  Pd131  1  0.872123  0.625321  0.459868  1
  Pd  Pd132  1  0.372088  0.125294  0.459781  1
  Pd  Pd133  1  0.708676  0.462560  0.422842  1
  Pd  Pd134  1  0.208918  0.962490  0.422733  1
  Pd  Pd135  1  0.122074  0.375356  0.459870  1
  Pd  Pd136  1  0.622058  0.875324  0.459778  1
  Pd  Pd137  1  0.414836  0.418331  0.441110  1
  Pd  Pd138  1  0.914926  0.918293  0.441098  1
  Pd  Pd139  1  1.003660  0.507289  0.403413  1
  Pd  Pd140  1  0.503665  1.007335  0.402916  1
  Pd  Pd141  1  0.753136  0.756931  0.403143  1
  Pd  Pd142  1  0.253315  0.256787  0.403137  1
  Pd  Pd143  1  0.165165  0.668576  0.441174  1
  Pd  Pd144  1  0.664886  0.168302  0.441206  1
  Pd  Pd145  1  0.285813  0.538830  0.497358  1
  Pd  Pd146  1  0.785701  0.038763  0.497427  1
  Pd  Pd147  1  0.697890  0.450154  0.535563  1
  Pd  Pd148  1  0.197534  0.950718  0.535378  1
  Pd  Pd149  1  0.535670  0.288807  0.497427  1
  Pd  Pd150  1  0.035727  0.788895  0.497360  1
  Pd  Pd151  1  0.947244  0.200781  0.535556  1
  Pd  Pd152  1  0.447838  0.700476  0.535380  1
  Pd  Pd153  1  0.241356  0.244427  0.515609  1
  Pd  Pd154  1  0.741502  0.744296  0.515605  1
  Pd  Pd155  1  0.828416  0.331636  0.478814  1
  Pd  Pd156  1  0.328588  0.831810  0.478694  1
  Pd  Pd157  1  0.578402  0.581525  0.478702  1
  Pd  Pd158  1  0.078301  0.081607  0.478703  1
  Pd  Pd159  1  0.991756  0.494656  0.515697  1
  Pd  Pd160  1  0.491629  0.994554  0.515703  1
  Pd  Pd161  1  0.110032  0.362085  0.570854  1
  Pd  Pd162  1  0.609767  0.861953  0.570804  1
  Pd  Pd163  1  0.522316  0.274283  0.609938  1
  Pd  Pd164  1  0.021628  0.772736  0.610325  1
  Pd  Pd165  1  0.359821  0.111976  0.570784  1
  Pd  Pd166  1  0.860082  0.612157  0.570825  1
  Pd  Pd167  1  0.772346  0.024309  0.609949  1
  Pd  Pd168  1  0.270763  0.523569  0.610318  1
  Pd  Pd169  1  0.061424  0.065419  0.590594  1
  Pd  Pd170  1  0.563313  0.563537  0.590610  1
  Pd  Pd171  1  0.653212  0.155815  0.553758  1
  Pd  Pd172  1  0.154136  0.656633  0.553379  1
  Pd  Pd173  1  0.402386  0.405410  0.553613  1
  Pd  Pd174  1  0.902782  0.904960  0.553635  1
  Pd  Pd175  1  0.812010  0.314118  0.591677  1
  Pd  Pd176  1  0.311645  0.813761  0.591303  1
  Pd  Pd177  1  0.943145  0.193923  0.645624  1
  Pd  Pd178  1  0.435127  0.688429  0.644091  1
  Pd  Pd179  1  0.350608  0.102233  0.669180  1
  Pd  Pd180  1  0.867360  0.609851  0.670552  1
  Pd  Pd181  1  0.186089  0.937693  0.644073  1
  Pd  Pd182  1  0.691590  0.445502  0.645624  1
  Pd  Pd183  1  0.600678  0.852103  0.669170  1
  Pd  Pd184  1  0.108386  0.368927  0.670544  1
  Pd  Pd185  1  0.901627  0.909596  0.661782  1
  Pd  Pd186  1  0.407752  0.403473  0.661781  1
  Pd  Pd187  1  0.479211  0.980976  0.621912  1
  Pd  Pd188  1  0.979845  0.481662  0.622120  1
  Pd  Pd189  1  0.228536  0.230564  0.622236  1
  Pd  Pd190  1  0.728791  0.730320  0.622232  1
  Pd  Pd191  1  0.653923  0.155799  0.661439  1
  Pd  Pd192  1  0.160312  0.662302  0.667289  1
