# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81729122
_cell_length_b   13.28036182
_cell_length_c   57.39322332
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.50729224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H48 Pd144'
_cell_volume   5162.68170304
_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  0.909891  0.162583  0.231235  1
  H  H2  1  0.253462  0.299590  0.227928  1
  H  H3  1  0.409891  0.662583  0.231235  1
  H  H4  1  0.753462  0.799590  0.227928  1
  H  H5  1  0.936528  0.473496  0.246584  1
  H  H6  1  0.585116  0.450014  0.228460  1
  H  H7  1  0.436528  0.973496  0.246584  1
  H  H8  1  0.085116  0.950014  0.228460  1
  H  H9  1  0.389182  0.322186  0.303312  1
  H  H10  1  0.638109  0.339086  0.343424  1
  H  H11  1  0.889182  0.822186  0.303312  1
  H  H12  1  0.138109  0.839086  0.343424  1
  H  H13  1  0.369746  0.509725  0.333688  1
  H  H14  1  0.120821  0.494233  0.293436  1
  H  H15  1  0.869746  0.009725  0.333688  1
  H  H16  1  0.620821  0.994233  0.293436  1
  H  H17  1  0.883094  0.356955  0.382918  1
  H  H18  1  0.128673  0.375230  0.421901  1
  H  H19  1  0.383094  0.856955  0.382918  1
  H  H20  1  0.628673  0.875230  0.421901  1
  H  H21  1  0.863344  0.546925  0.411749  1
  H  H22  1  0.616167  0.528375  0.372979  1
  H  H23  1  0.363343  0.046925  0.411749  1
  H  H24  1  0.116167  0.028375  0.372979  1
  H  H25  1  0.374268  0.393772  0.460732  1
  H  H26  1  0.621444  0.412323  0.499502  1
  H  H27  1  0.874268  0.893772  0.460732  1
  H  H28  1  0.121444  0.912323  0.499502  1
  H  H29  1  0.354517  0.583743  0.489562  1
  H  H30  1  0.108938  0.565468  0.450580  1
  H  H31  1  0.854517  0.083743  0.489562  1
  H  H32  1  0.608938  0.065468  0.450580  1
  H  H33  1  0.867865  0.430973  0.538793  1
  H  H34  1  0.116790  0.446465  0.579045  1
  H  H35  1  0.367865  0.930973  0.538793  1
  H  H36  1  0.616790  0.946465  0.579045  1
  H  H37  1  0.848429  0.618512  0.569168  1
  H  H38  1  0.599502  0.601612  0.529057  1
  H  H39  1  0.348429  0.118512  0.569168  1
  H  H40  1  0.099502  0.101612  0.529057  1
  H  H41  1  0.301083  0.467202  0.625897  1
  H  H42  1  0.652495  0.490683  0.644020  1
  H  H43  1  0.801083  0.967202  0.625897  1
  H  H44  1  0.152495  0.990683  0.644020  1
  H  H45  1  0.327720  0.778115  0.641246  1
  H  H46  1  0.984149  0.641108  0.644553  1
  H  H47  1  0.827720  0.278115  0.641246  1
  H  H48  1  0.484149  0.141108  0.644553  1
  Pd  Pd49  1  0.938206  0.209386  0.262250  1
  Pd  Pd50  1  0.688244  0.188979  0.226086  1
  Pd  Pd51  1  0.438206  0.709386  0.262250  1
  Pd  Pd52  1  0.188244  0.688979  0.226086  1
  Pd  Pd53  1  0.081530  0.385816  0.236745  1
  Pd  Pd54  1  0.335726  0.403549  0.276256  1
  Pd  Pd55  1  0.581530  0.885816  0.236745  1
  Pd  Pd56  1  0.835726  0.903549  0.276256  1
  Pd  Pd57  1  0.106407  0.205330  0.217228  1
  Pd  Pd58  1  0.348569  0.223778  0.253017  1
  Pd  Pd59  1  0.606407  0.705330  0.217228  1
  Pd  Pd60  1  0.848569  0.723778  0.253017  1
  Pd  Pd61  1  0.814952  0.532331  0.227019  1
  Pd  Pd62  1  0.085470  0.565177  0.264399  1
  Pd  Pd63  1  0.314952  0.032331  0.227019  1
  Pd  Pd64  1  0.585470  0.065177  0.264399  1
  Pd  Pd65  1  0.691393  0.366991  0.251616  1
  Pd  Pd66  1  0.455056  0.352468  0.216427  1
  Pd  Pd67  1  0.191393  0.866991  0.251616  1
  Pd  Pd68  1  0.955056  0.852468  0.216427  1
  Pd  Pd69  1  0.674690  0.547669  0.273747  1
  Pd  Pd70  1  0.412678  0.530899  0.235985  1
  Pd  Pd71  1  0.174690  0.047669  0.273747  1
  Pd  Pd72  1  0.912678  0.030899  0.235985  1
  Pd  Pd73  1  0.427105  0.244288  0.337897  1
  Pd  Pd74  1  0.182380  0.225434  0.300175  1
  Pd  Pd75  1  0.927105  0.744288  0.337897  1
  Pd  Pd76  1  0.682380  0.725434  0.300175  1
  Pd  Pd77  1  0.584359  0.423679  0.315179  1
  Pd  Pd78  1  0.831549  0.443053  0.354177  1
  Pd  Pd79  1  0.084359  0.923679  0.315179  1
  Pd  Pd80  1  0.331549  0.943053  0.354177  1
  Pd  Pd81  1  0.589280  0.244398  0.290811  1
  Pd  Pd82  1  0.833351  0.264874  0.328652  1
  Pd  Pd83  1  0.089280  0.744398  0.290811  1
  Pd  Pd84  1  0.333351  0.764874  0.328652  1
  Pd  Pd85  1  0.337289  0.583602  0.302650  1
  Pd  Pd86  1  0.585487  0.603023  0.341445  1
  Pd  Pd87  1  0.837289  0.083602  0.302650  1
  Pd  Pd88  1  0.085487  0.103023  0.341445  1
  Pd  Pd89  1  0.180343  0.404268  0.324972  1
  Pd  Pd90  1  0.937268  0.388068  0.287445  1
  Pd  Pd91  1  0.680343  0.904268  0.324972  1
  Pd  Pd92  1  0.437268  0.888068  0.287445  1
  Pd  Pd93  1  0.179825  0.582146  0.350442  1
  Pd  Pd94  1  0.930521  0.564132  0.312000  1
  Pd  Pd95  1  0.679825  0.082146  0.350442  1
  Pd  Pd96  1  0.430521  0.064132  0.312000  1
  Pd  Pd97  1  0.913998  0.281294  0.414845  1
  Pd  Pd98  1  0.670197  0.262583  0.376229  1
  Pd  Pd99  1  0.413998  0.781294  0.414845  1
  Pd  Pd100  1  0.170197  0.762583  0.376229  1
  Pd  Pd101  1  0.077690  0.462219  0.393053  1
  Pd  Pd102  1  0.323408  0.480794  0.431838  1
  Pd  Pd103  1  0.577690  0.962219  0.393053  1
  Pd  Pd104  1  0.823408  0.980794  0.431838  1
  Pd  Pd105  1  0.075522  0.283950  0.367269  1
  Pd  Pd106  1  0.318903  0.302752  0.405971  1
  Pd  Pd107  1  0.575522  0.783950  0.367269  1
  Pd  Pd108  1  0.818903  0.802752  0.405971  1
  Pd  Pd109  1  0.832158  0.622076  0.380216  1
  Pd  Pd110  1  0.078588  0.640977  0.418942  1
  Pd  Pd111  1  0.332158  0.122076  0.380216  1
  Pd  Pd112  1  0.578588  0.140977  0.418942  1
  Pd  Pd113  1  0.668750  0.441244  0.401936  1
  Pd  Pd114  1  0.423802  0.422931  0.363373  1
  Pd  Pd115  1  0.168750  0.941244  0.401936  1
  Pd  Pd116  1  0.923802  0.922931  0.363373  1
  Pd  Pd117  1  0.673733  0.619124  0.427815  1
  Pd  Pd118  1  0.427298  0.600788  0.389135  1
  Pd  Pd119  1  0.173733  0.119124  0.427815  1
  Pd  Pd120  1  0.927298  0.100788  0.389135  1
  Pd  Pd121  1  0.405453  0.318622  0.492265  1
  Pd  Pd122  1  0.159023  0.299720  0.453538  1
  Pd  Pd123  1  0.905453  0.818622  0.492265  1
  Pd  Pd124  1  0.659023  0.799720  0.453538  1
  Pd  Pd125  1  0.568861  0.499454  0.470544  1
  Pd  Pd126  1  0.813809  0.517767  0.509107  1
  Pd  Pd127  1  1.068861  0.999454  0.470544  1
  Pd  Pd128  1  0.313809  0.017767  0.509107  1
  Pd  Pd129  1  0.563878  0.321574  0.444666  1
  Pd  Pd130  1  0.810313  0.339909  0.483346  1
  Pd  Pd131  1  1.063878  0.821574  0.444666  1
  Pd  Pd132  1  0.310313  0.839909  0.483346  1
  Pd  Pd133  1  0.323613  0.659404  0.457635  1
  Pd  Pd134  1  0.567414  0.678114  0.496252  1
  Pd  Pd135  1  0.823613  0.159404  0.457635  1
  Pd  Pd136  1  1.067414  0.178114  0.496252  1
  Pd  Pd137  1  0.159921  0.478479  0.479428  1
  Pd  Pd138  1  0.914203  0.459904  0.440643  1
  Pd  Pd139  1  0.659921  0.978479  0.479428  1
  Pd  Pd140  1  0.414203  0.959904  0.440643  1
  Pd  Pd141  1  0.162089  0.656748  0.505212  1
  Pd  Pd142  1  0.918708  0.637946  0.466510  1
  Pd  Pd143  1  0.662089  0.156748  0.505212  1
  Pd  Pd144  1  0.418708  0.137946  0.466510  1
  Pd  Pd145  1  0.900322  0.357095  0.569831  1
  Pd  Pd146  1  0.652124  0.337675  0.531035  1
  Pd  Pd147  1  0.400322  0.857095  0.569831  1
  Pd  Pd148  1  0.152124  0.837675  0.531035  1
  Pd  Pd149  1  1.057268  0.536430  0.547509  1
  Pd  Pd150  1  0.300343  0.552630  0.585036  1
  Pd  Pd151  1  0.557268  0.036430  0.547509  1
  Pd  Pd152  1  0.800343  0.052630  0.585036  1
  Pd  Pd153  1  1.057787  0.358552  0.522039  1
  Pd  Pd154  1  0.307090  0.376566  0.560481  1
  Pd  Pd155  1  0.557787  0.858552  0.522039  1
  Pd  Pd156  1  0.807090  0.876566  0.560481  1
  Pd  Pd157  1  0.810506  0.696409  0.534584  1
  Pd  Pd158  1  1.055231  0.715263  0.572306  1
  Pd  Pd159  1  0.310506  0.196409  0.534584  1
  Pd  Pd160  1  0.555231  0.215263  0.572306  1
  Pd  Pd161  1  0.653252  0.517019  0.557302  1
  Pd  Pd162  1  0.406062  0.497645  0.518304  1
  Pd  Pd163  1  0.153252  0.017019  0.557302  1
  Pd  Pd164  1  0.906062  0.997645  0.518304  1
  Pd  Pd165  1  0.648331  0.696299  0.581669  1
  Pd  Pd166  1  0.404261  0.675823  0.543829  1
  Pd  Pd167  1  0.148331  0.196299  0.581669  1
  Pd  Pd168  1  0.904261  0.175823  0.543829  1
  Pd  Pd169  1  0.422659  0.408366  0.645462  1
  Pd  Pd170  1  0.152141  0.375520  0.608081  1
  Pd  Pd171  1  0.922659  0.908366  0.645462  1
  Pd  Pd172  1  0.652141  0.875520  0.608081  1
  Pd  Pd173  1  0.546218  0.573707  0.620865  1
  Pd  Pd174  1  0.782555  0.588229  0.656054  1
  Pd  Pd175  1  1.046218  0.073707  0.620865  1
  Pd  Pd176  1  0.282555  0.088229  0.656054  1
  Pd  Pd177  1  0.562921  0.393029  0.598734  1
  Pd  Pd178  1  0.824933  0.409799  0.636496  1
  Pd  Pd179  1  1.062921  0.893029  0.598734  1
  Pd  Pd180  1  0.324933  0.909799  0.636496  1
  Pd  Pd181  1  0.299405  0.731311  0.610231  1
  Pd  Pd182  1  0.549367  0.751718  0.646395  1
  Pd  Pd183  1  0.799405  0.231311  0.610231  1
  Pd  Pd184  1  1.049367  0.251718  0.646395  1
  Pd  Pd185  1  0.156081  0.554882  0.635735  1
  Pd  Pd186  1  0.901885  0.537149  0.596224  1
  Pd  Pd187  1  0.656081  0.054882  0.635735  1
  Pd  Pd188  1  0.401885  0.037149  0.596224  1
  Pd  Pd189  1  0.131204  0.735368  0.655253  1
  Pd  Pd190  1  0.889042  0.716919  0.619464  1
  Pd  Pd191  1  0.631204  0.235368  0.655253  1
  Pd  Pd192  1  0.389042  0.216919  0.619464  1
