# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59698984
_cell_length_b   17.99649372
_cell_length_c   52.95383125
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.69380842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H48 Pd144'
_cell_volume   5332.45181092
_cell_formula_units_Z   48
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  0.373228  0.787227  0.246255  1
  H  H2  1  0.033234  0.109113  0.259802  1
  H  H3  1  0.704293  0.437797  0.255351  1
  H  H4  1  0.953706  0.551360  0.269437  1
  H  H5  1  0.611457  0.909186  0.256824  1
  H  H6  1  0.265165  0.238015  0.251563  1
  H  H7  1  0.257963  0.649866  0.258864  1
  H  H8  1  0.047499  0.099426  0.323530  1
  H  H9  1  0.722416  0.442881  0.303866  1
  H  H10  1  0.946538  0.553128  0.334866  1
  H  H11  1  0.597674  0.885592  0.316330  1
  H  H12  1  0.273677  0.221467  0.299052  1
  H  H13  1  0.367036  0.761468  0.341294  1
  H  H14  1  0.047332  0.087422  0.379609  1
  H  H15  1  0.710294  0.427645  0.360653  1
  H  H16  1  0.945790  0.539319  0.390922  1
  H  H17  1  0.611960  0.873764  0.372922  1
  H  H18  1  0.281917  0.213354  0.355702  1
  H  H19  1  0.376809  0.750023  0.397243  1
  H  H20  1  0.048680  0.074814  0.434420  1
  H  H21  1  0.714727  0.414166  0.415691  1
  H  H22  1  0.951813  0.526069  0.446487  1
  H  H23  1  0.614699  0.862130  0.428331  1
  H  H24  1  0.281113  0.201334  0.410205  1
  H  H25  1  0.381267  0.737437  0.452815  1
  H  H26  1  0.051967  1.062173  0.489096  1
  H  H27  1  0.718381  0.401377  0.470971  1
  H  H28  1  0.956271  0.513483  0.502059  1
  H  H29  1  0.618353  0.849340  0.483610  1
  H  H30  1  0.284400  0.188692  0.464882  1
  H  H31  1  0.387290  0.724187  0.508379  1
  H  H32  1  0.051163  1.050153  0.543599  1
  H  H33  1  0.721120  0.389742  0.526380  1
  H  H34  1  0.966044  0.502039  0.558007  1
  H  H35  1  0.622787  0.835861  0.538649  1
  H  H36  1  0.285748  0.176085  0.519692  1
  H  H37  1  0.386542  0.710379  0.564436  1
  H  H38  1  0.059403  1.042039  0.600249  1
  H  H39  1  0.735406  0.377914  0.582972  1
  H  H40  1  0.075117  0.613640  0.640437  1
  H  H41  1  0.610664  0.820626  0.595436  1
  H  H42  1  0.285581  0.164080  0.575772  1
  H  H43  1  0.379374  0.712147  0.629865  1
  H  H44  1  0.067915  1.025491  0.647738  1
  H  H45  1  0.721623  0.354320  0.642477  1
  H  H46  1  0.959852  0.476279  0.653047  1
  H  H47  1  0.628787  0.825709  0.643950  1
  H  H48  1  0.299846  0.154393  0.639500  1
  Pd  Pd49  1  0.115075  0.785644  0.264247  1
  Pd  Pd50  1  0.776355  0.127043  0.248157  1
  Pd  Pd51  1  0.474186  0.441402  0.279270  1
  Pd  Pd52  1  0.377441  0.696885  0.237975  1
  Pd  Pd53  1  0.079618  1.013162  0.265687  1
  Pd  Pd54  1  0.743860  0.348754  0.251699  1
  Pd  Pd55  1  0.636931  0.785246  0.264468  1
  Pd  Pd56  1  0.263437  0.143898  0.245427  1
  Pd  Pd57  1  0.983722  0.443404  0.279713  1
  Pd  Pd58  1  0.227698  0.557024  0.255227  1
  Pd  Pd59  1  0.860829  0.900818  0.242996  1
  Pd  Pd60  1  0.517113  0.230545  0.275233  1
  Pd  Pd61  1  0.921868  0.654891  0.276626  1
  Pd  Pd62  1  0.570371  1.003846  0.266467  1
  Pd  Pd63  1  0.248266  0.329452  0.251158  1
  Pd  Pd64  1  0.726098  0.535121  0.251193  1
  Pd  Pd65  1  0.372399  0.887708  0.241121  1
  Pd  Pd66  1  0.007625  0.229291  0.275773  1
  Pd  Pd67  1  0.127548  0.770189  0.314929  1
  Pd  Pd68  1  0.804026  0.105948  0.298506  1
  Pd  Pd69  1  0.469740  0.437903  0.333442  1
  Pd  Pd70  1  0.419828  0.666756  0.286812  1
  Pd  Pd71  1  0.079467  0.996054  0.321509  1
  Pd  Pd72  1  0.744989  0.333754  0.305328  1
  Pd  Pd73  1  0.629790  0.775755  0.316011  1
  Pd  Pd74  1  0.301354  0.110677  0.297166  1
  Pd  Pd75  1  0.965831  0.438980  0.333892  1
  Pd  Pd76  1  0.187545  0.554119  0.309058  1
  Pd  Pd77  1  0.845475  0.895578  0.293225  1
  Pd  Pd78  1  0.523137  0.214097  0.328167  1
  Pd  Pd79  1  0.905682  0.655241  0.336859  1
  Pd  Pd80  1  0.573899  0.992793  0.321659  1
  Pd  Pd81  1  0.245955  0.329216  0.305302  1
  Pd  Pd82  1  0.694820  0.550679  0.306770  1
  Pd  Pd83  1  0.345800  0.891814  0.292068  1
  Pd  Pd84  1  0.025730  0.212015  0.328363  1
  Pd  Pd85  1  0.134455  0.758824  0.369742  1
  Pd  Pd86  1  0.804905  0.095527  0.352803  1
  Pd  Pd87  1  0.472106  0.424021  0.388175  1
  Pd  Pd88  1  0.407936  0.659435  0.339902  1
  Pd  Pd89  1  0.080276  0.982413  0.376712  1
  Pd  Pd90  1  0.745432  0.321706  0.358537  1
  Pd  Pd91  1  0.631958  0.761594  0.370397  1
  Pd  Pd92  1  0.300812  0.098329  0.352540  1
  Pd  Pd93  1  0.967505  0.425805  0.388450  1
  Pd  Pd94  1  0.184740  0.543620  0.363946  1
  Pd  Pd95  1  0.852325  0.879129  0.346454  1
  Pd  Pd96  1  0.521630  0.204077  0.382824  1
  Pd  Pd97  1  0.912212  0.643287  0.393925  1
  Pd  Pd98  1  0.578466  0.978538  0.376431  1
  Pd  Pd99  1  0.246928  0.318202  0.358439  1
  Pd  Pd100  1  0.690395  0.541745  0.363270  1
  Pd  Pd101  1  0.354180  0.875001  0.345496  1
  Pd  Pd102  1  0.025597  0.201985  0.382860  1
  Pd  Pd103  1  0.139554  0.746661  0.425128  1
  Pd  Pd104  1  0.806481  0.083848  0.407134  1
  Pd  Pd105  1  0.475330  0.410586  0.443271  1
  Pd  Pd106  1  0.412129  0.646361  0.394861  1
  Pd  Pd107  1  0.082026  0.970196  0.431527  1
  Pd  Pd108  1  0.747712  0.309665  0.413123  1
  Pd  Pd109  1  0.635520  0.748863  0.425459  1
  Pd  Pd110  1  0.302489  0.086428  0.407161  1
  Pd  Pd111  1  0.971240  0.412693  0.443518  1
  Pd  Pd112  1  0.189118  0.529681  0.419032  1
  Pd  Pd113  1  0.854651  0.865594  0.401090  1
  Pd  Pd114  1  0.523906  0.191943  0.437485  1
  Pd  Pd115  1  0.916705  0.630166  0.449351  1
  Pd  Pd116  1  0.581854  0.966508  0.431291  1
  Pd  Pd117  1  0.248303  0.306099  0.412988  1
  Pd  Pd118  1  0.693799  0.527650  0.418693  1
  Pd  Pd119  1  0.358095  0.863008  0.400648  1
  Pd  Pd120  1  0.027878  0.189534  0.437438  1
  Pd  Pd121  1  0.143962  0.733825  0.480270  1
  Pd  Pd122  1  0.809174  1.071564  0.461816  1
  Pd  Pd123  1  0.478429  0.397912  0.498212  1
  Pd  Pd124  1  0.416375  0.633341  0.449950  1
  Pd  Pd125  1  0.084777  0.957407  0.486314  1
  Pd  Pd126  1  0.751226  0.296998  0.468011  1
  Pd  Pd127  1  0.639281  0.735856  0.480609  1
  Pd  Pd128  1  0.305202  0.073973  0.461863  1
  Pd  Pd129  1  0.974985  0.400498  0.498653  1
  Pd  Pd130  1  0.193526  0.516846  0.474174  1
  Pd  Pd131  1  0.857750  0.852921  0.456031  1
  Pd  Pd132  1  0.526599  0.179659  0.492168  1
  Pd  Pd133  1  0.920951  0.617146  0.504440  1
  Pd  Pd134  1  0.585368  0.953841  0.486179  1
  Pd  Pd135  1  0.251054  0.293311  0.467774  1
  Pd  Pd136  1  0.697560  0.514643  0.473843  1
  Pd  Pd137  1  0.361840  0.850814  0.455784  1
  Pd  Pd138  1  0.030591  0.177078  0.492141  1
  Pd  Pd139  1  0.148340  0.719887  0.535356  1
  Pd  Pd140  1  0.811450  1.059430  0.516478  1
  Pd  Pd141  1  0.480755  0.384378  0.552848  1
  Pd  Pd142  1  0.420868  0.620220  0.505377  1
  Pd  Pd143  1  0.086152  0.945305  0.540863  1
  Pd  Pd144  1  0.754614  0.284968  0.522870  1
  Pd  Pd145  1  0.642685  0.721761  0.536032  1
  Pd  Pd146  1  0.307483  1.061522  0.516441  1
  Pd  Pd147  1  0.978900  0.388506  0.553805  1
  Pd  Pd148  1  0.198625  0.504682  0.529560  1
  Pd  Pd149  1  0.860974  0.839485  0.511127  1
  Pd  Pd150  1  0.528175  0.167979  0.546499  1
  Pd  Pd151  1  0.925144  0.604071  0.559400  1
  Pd  Pd152  1  0.587648  0.941801  0.540765  1
  Pd  Pd153  1  0.252804  0.281094  0.522589  1
  Pd  Pd154  1  0.701122  0.501912  0.528905  1
  Pd  Pd155  1  0.365575  0.837701  0.510852  1
  Pd  Pd156  1  0.032268  0.165177  0.546762  1
  Pd  Pd157  1  0.145535  0.709388  0.590244  1
  Pd  Pd158  1  0.809943  1.049410  0.571135  1
  Pd  Pd159  1  0.487605  0.367928  0.606077  1
  Pd  Pd160  1  0.427398  0.608266  0.562442  1
  Pd  Pd161  1  0.087125  0.934291  0.594000  1
  Pd  Pd162  1  0.759181  0.270713  0.577642  1
  Pd  Pd163  1  0.638260  0.712827  0.592531  1
  Pd  Pd164  1  0.307350  1.051492  0.570938  1
  Pd  Pd165  1  -0.012720  0.371692  0.607233  1
  Pd  Pd166  1  0.205532  0.493318  0.584373  1
  Pd  Pd167  1  0.863340  0.825603  0.565860  1
  Pd  Pd168  1  0.529054  0.157558  0.600796  1
  Pd  Pd169  1  0.913252  0.596751  0.612489  1
  Pd  Pd170  1  0.588091  0.929752  0.593973  1
  Pd  Pd171  1  0.253613  0.267453  0.577793  1
  Pd  Pd172  1  0.703290  0.487752  0.583290  1
  Pd  Pd173  1  0.367249  0.824527  0.565410  1
  Pd  Pd174  1  0.031726  0.152830  0.602136  1
  Pd  Pd175  1  0.105382  0.706483  0.644074  1
  Pd  Pd176  1  0.815967  1.032962  0.624069  1
  Pd  Pd177  1  0.472251  0.362689  0.656306  1
  Pd  Pd178  1  0.411212  0.608615  0.622675  1
  Pd  Pd179  1  0.084814  0.934055  0.648144  1
  Pd  Pd180  1  0.762709  0.259661  0.632834  1
  Pd  Pd181  1  0.606982  0.728385  0.648108  1
  Pd  Pd182  1  0.325455  1.034216  0.623529  1
  Pd  Pd183  1  0.960681  0.375799  0.658181  1
  Pd  Pd184  1  0.218005  0.477863  0.635054  1
  Pd  Pd185  1  0.858894  0.822104  0.620031  1
  Pd  Pd186  1  0.556725  0.136464  0.651144  1
  Pd  Pd187  1  0.955639  0.566622  0.661327  1
  Pd  Pd188  1  0.589220  0.914753  0.647603  1
  Pd  Pd189  1  0.253462  0.250345  0.633614  1
  Pd  Pd190  1  0.696149  0.478260  0.634833  1
  Pd  Pd191  1  0.349358  0.820103  0.619588  1
  Pd  Pd192  1  0.069643  0.119608  0.653874  1
