# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.31655532
_cell_length_b   7.60822005
_cell_length_c   52.59002283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.62625281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H44 Pd132'
_cell_volume   4897.59572493
_cell_formula_units_Z   44
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  0.018809  0.535338  0.248369  1
  H  H2  1  0.518809  0.535338  0.248369  1
  H  H3  1  0.093206  0.178249  0.251974  1
  H  H4  1  0.593206  0.178249  0.251974  1
  H  H5  1  0.867212  0.297189  0.253614  1
  H  H6  1  0.367212  0.297189  0.253614  1
  H  H7  1  0.143513  0.810327  0.259867  1
  H  H8  1  0.643513  0.810327  0.259867  1
  H  H9  1  0.819524  0.151992  0.335661  1
  H  H10  1  0.319524  0.151992  0.335661  1
  H  H11  1  0.051650  0.621162  0.308045  1
  H  H12  1  0.551650  0.621162  0.308045  1
  H  H13  1  0.731620  0.948477  0.376190  1
  H  H14  1  0.231620  0.948477  0.376190  1
  H  H15  1  0.958040  0.436144  0.351261  1
  H  H16  1  0.458040  0.436144  0.351261  1
  H  H17  1  0.644016  0.747031  0.416250  1
  H  H18  1  0.144016  0.747031  0.416250  1
  H  H19  1  0.869524  0.235228  0.391225  1
  H  H20  1  0.369524  0.235228  0.391225  1
  H  H21  1  0.556308  0.546302  0.456124  1
  H  H22  1  0.056308  0.546302  0.456124  1
  H  H23  1  0.782045  1.034336  0.431076  1
  H  H24  1  0.282045  1.034336  0.431076  1
  H  H25  1  0.468830  0.345409  0.495974  1
  H  H26  1  0.968830  0.345409  0.495974  1
  H  H27  1  0.694338  0.833607  0.470949  1
  H  H28  1  0.194338  0.833607  0.470949  1
  H  H29  1  0.380314  0.144494  0.535939  1
  H  H30  1  0.880314  0.144494  0.535939  1
  H  H31  1  0.606734  0.632161  0.511010  1
  H  H32  1  0.106734  0.632161  0.511010  1
  H  H33  1  0.286704  0.959475  0.579155  1
  H  H34  1  0.786704  0.959475  0.579155  1
  H  H35  1  0.518829  0.428646  0.551539  1
  H  H36  1  0.018829  0.428646  0.551539  1
  H  H37  1  0.194840  0.770311  0.627333  1
  H  H38  1  0.694840  0.770311  0.627333  1
  H  H39  1  0.471142  0.283449  0.633585  1
  H  H40  1  0.971142  0.283449  0.633585  1
  H  H41  1  0.245148  0.402389  0.635226  1
  H  H42  1  0.745148  0.402389  0.635226  1
  H  H43  1  0.319545  1.045299  0.638831  1
  H  H44  1  0.819545  1.045299  0.638831  1
  Pd  Pd45  1  0.938582  0.692373  0.237450  1
  Pd  Pd46  1  0.438582  0.692373  0.237450  1
  Pd  Pd47  1  -0.005890  0.326392  0.239214  1
  Pd  Pd48  1  0.494110  0.326392  0.239214  1
  Pd  Pd49  1  0.149665  0.602184  0.248620  1
  Pd  Pd50  1  0.649665  0.602184  0.248620  1
  Pd  Pd51  1  0.275524  0.873104  0.262839  1
  Pd  Pd52  1  0.775524  0.873104  0.262839  1
  Pd  Pd53  1  0.222902  0.236627  0.252522  1
  Pd  Pd54  1  0.722902  0.236627  0.252522  1
  Pd  Pd55  1  0.073429  0.971244  0.244469  1
  Pd  Pd56  1  0.573429  0.971244  0.244469  1
  Pd  Pd57  1  0.847200  0.494659  0.271233  1
  Pd  Pd58  1  0.347200  0.494659  0.271233  1
  Pd  Pd59  1  0.914419  0.130973  0.275800  1
  Pd  Pd60  1  0.414419  0.130973  0.275800  1
  Pd  Pd61  1  0.060467  0.408999  0.287071  1
  Pd  Pd62  1  0.560467  0.408999  0.287071  1
  Pd  Pd63  1  0.192158  0.677809  0.301472  1
  Pd  Pd64  1  0.692158  0.677809  0.301472  1
  Pd  Pd65  1  0.123832  1.046129  0.294013  1
  Pd  Pd66  1  0.623832  1.046129  0.294013  1
  Pd  Pd67  1  0.989935  0.772960  0.283914  1
  Pd  Pd68  1  0.489935  0.772960  0.283914  1
  Pd  Pd69  1  0.759031  0.299450  0.308824  1
  Pd  Pd70  1  0.259031  0.299450  0.308824  1
  Pd  Pd71  1  0.827907  0.940361  0.315081  1
  Pd  Pd72  1  0.327907  0.940361  0.315081  1
  Pd  Pd73  1  0.966329  0.209341  0.327239  1
  Pd  Pd74  1  0.466329  0.209341  0.327239  1
  Pd  Pd75  1  0.102746  0.477373  0.340294  1
  Pd  Pd76  1  0.602746  0.477373  0.340294  1
  Pd  Pd77  1  0.036428  0.840791  0.334128  1
  Pd  Pd78  1  0.536428  0.840791  0.334128  1
  Pd  Pd79  1  0.899805  0.572721  0.321335  1
  Pd  Pd80  1  0.399805  0.572721  0.321335  1
  Pd  Pd81  1  0.672692  0.103772  0.347749  1
  Pd  Pd82  1  0.172692  0.103772  0.347749  1
  Pd  Pd83  1  0.741593  0.742756  0.354356  1
  Pd  Pd84  1  0.241593  0.742756  0.354356  1
  Pd  Pd85  1  0.878737  1.009911  0.366925  1
  Pd  Pd86  1  0.378737  1.009911  0.366925  1
  Pd  Pd87  1  0.014875  0.277835  0.380058  1
  Pd  Pd88  1  0.514875  0.277835  0.380058  1
  Pd  Pd89  1  0.947881  0.637908  0.373354  1
  Pd  Pd90  1  0.447881  0.637908  0.373354  1
  Pd  Pd91  1  0.810047  0.373386  0.360478  1
  Pd  Pd92  1  0.310047  0.373386  0.360478  1
  Pd  Pd93  1  0.585799  0.904090  0.387433  1
  Pd  Pd94  1  0.085799  0.904090  0.387433  1
  Pd  Pd95  1  0.653432  0.543941  0.394044  1
  Pd  Pd96  1  0.153432  0.543941  0.394044  1
  Pd  Pd97  1  0.791359  0.808860  0.406861  1
  Pd  Pd98  1  0.291359  0.808860  0.406861  1
  Pd  Pd99  1  0.927556  0.077242  0.420059  1
  Pd  Pd100  1  0.427556  0.077242  0.420059  1
  Pd  Pd101  1  0.859999  0.437265  0.413174  1
  Pd  Pd102  1  0.359999  0.437265  0.413174  1
  Pd  Pd103  1  0.722095  0.173160  0.400471  1
  Pd  Pd104  1  0.222095  0.173160  0.400471  1
  Pd  Pd105  1  0.498354  0.703873  0.427224  1
  Pd  Pd106  1  -0.001646  0.703873  0.427224  1
  Pd  Pd107  1  0.565832  0.343900  0.434041  1
  Pd  Pd108  1  0.065832  0.343900  0.434041  1
  Pd  Pd109  1  0.703703  0.608132  0.446750  1
  Pd  Pd110  1  0.203703  0.608132  0.446750  1
  Pd  Pd111  1  0.839999  0.876765  0.459975  1
  Pd  Pd112  1  0.339999  0.876765  0.459975  1
  Pd  Pd113  1  0.772521  0.236738  0.453158  1
  Pd  Pd114  1  0.272521  0.236738  0.453158  1
  Pd  Pd115  1  0.634651  0.972505  0.440450  1
  Pd  Pd116  1  0.134651  0.972505  0.440450  1
  Pd  Pd117  1  0.410798  0.503395  0.467140  1
  Pd  Pd118  1  0.910798  0.503395  0.467140  1
  Pd  Pd119  1  0.478355  0.143373  0.474026  1
  Pd  Pd120  1  0.978355  0.143373  0.474026  1
  Pd  Pd121  1  0.616258  0.407478  0.486729  1
  Pd  Pd122  1  0.116258  0.407478  0.486729  1
  Pd  Pd123  1  0.752554  0.676548  0.499766  1
  Pd  Pd124  1  0.252554  0.676548  0.499766  1
  Pd  Pd125  1  0.684922  1.036696  0.493156  1
  Pd  Pd126  1  0.184922  1.036696  0.493156  1
  Pd  Pd127  1  0.546994  0.771777  0.480338  1
  Pd  Pd128  1  0.046994  0.771777  0.480338  1
  Pd  Pd129  1  0.323479  0.302802  0.507141  1
  Pd  Pd130  1  0.823479  0.302802  0.507141  1
  Pd  Pd131  1  0.390472  0.942730  0.513846  1
  Pd  Pd132  1  0.890472  0.942730  0.513846  1
  Pd  Pd133  1  0.528307  0.207251  0.526722  1
  Pd  Pd134  1  0.028307  0.207251  0.526722  1
  Pd  Pd135  1  0.665662  0.476865  0.539451  1
  Pd  Pd136  1  0.165662  0.476865  0.539451  1
  Pd  Pd137  1  0.596760  0.837881  0.532844  1
  Pd  Pd138  1  0.096760  0.837881  0.532844  1
  Pd  Pd139  1  0.459616  0.570726  0.520275  1
  Pd  Pd140  1  0.959616  0.570726  0.520275  1
  Pd  Pd141  1  0.235608  0.103265  0.546906  1
  Pd  Pd142  1  0.735608  0.103265  0.546906  1
  Pd  Pd143  1  0.301925  0.739846  0.553072  1
  Pd  Pd144  1  0.801925  0.739846  0.553072  1
  Pd  Pd145  1  0.438549  1.007916  0.565865  1
  Pd  Pd146  1  0.938549  1.007916  0.565865  1
  Pd  Pd147  1  0.579323  0.281188  0.578375  1
  Pd  Pd148  1  0.079323  0.281188  0.578375  1
  Pd  Pd149  1  0.510447  0.640277  0.572119  1
  Pd  Pd150  1  0.010447  0.640277  0.572119  1
  Pd  Pd151  1  0.372024  0.371296  0.559960  1
  Pd  Pd152  1  0.872024  0.371296  0.559960  1
  Pd  Pd153  1  0.146195  0.902829  0.585728  1
  Pd  Pd154  1  0.646195  0.902829  0.585728  1
  Pd  Pd155  1  0.214521  0.534509  0.593187  1
  Pd  Pd156  1  0.714521  0.534509  0.593187  1
  Pd  Pd157  1  0.348418  0.807678  0.603285  1
  Pd  Pd158  1  0.848418  0.807678  0.603285  1
  Pd  Pd159  1  0.491154  0.085979  0.615966  1
  Pd  Pd160  1  0.991154  0.085979  0.615966  1
  Pd  Pd161  1  0.423934  0.449664  0.611399  1
  Pd  Pd162  1  0.923934  0.449664  0.611399  1
  Pd  Pd163  1  0.277887  0.171638  0.600129  1
  Pd  Pd164  1  0.777887  0.171638  0.600129  1
  Pd  Pd165  1  0.062830  0.707534  0.624361  1
  Pd  Pd166  1  0.562830  0.707534  0.624361  1
  Pd  Pd167  1  0.115451  0.344011  0.634677  1
  Pd  Pd168  1  0.615451  0.344011  0.634677  1
  Pd  Pd169  1  0.264925  0.609393  0.642731  1
  Pd  Pd170  1  0.764925  0.609393  0.642731  1
  Pd  Pd171  1  0.399771  0.888265  0.649750  1
  Pd  Pd172  1  0.899771  0.888265  0.649750  1
  Pd  Pd173  1  0.344244  0.254245  0.647986  1
  Pd  Pd174  1  0.844244  0.254245  0.647986  1
  Pd  Pd175  1  0.188689  0.978454  0.638580  1
  Pd  Pd176  1  0.688689  0.978454  0.638580  1
